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*** WT ***elNémo ID: 2602020729451051934Job options:ID = 2602020729451051934 JOBID = WT USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER WT HEADER HYDROLASE 05-JAN-98 1JSF TITLE FULL-MATRIX LEAST-SQUARES REFINEMENT OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.15 ANGSTROMS REMARK 3 R VALUE : 0.112000 REMARK 3 FREE R VALUE : 0.157000 REMARK 4 1JSF COMPLIES WITH FORMAT V. 3.30, REMARK 200 TEMPERATURE (KELVIN) : 285.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) CRYST1 50.775 47.965 63.746 90.00 90.00 90.00 P 1 4 ATOM 1 N LYS A 1 10.055 -9.156 -4.021 1.00 17.06 N1+ ATOM 2 CA LYS A 1 10.500 -9.793 -2.774 1.00 18.25 C ATOM 3 C LYS A 1 9.186 -10.038 -1.863 1.00 16.14 C ATOM 4 O LYS A 1 8.307 -9.167 -1.871 1.00 16.16 O ATOM 5 CB LYS A 1 11.552 -8.866 -2.111 1.00 24.42 C ATOM 6 CG LYS A 1 12.090 -9.227 -0.649 1.00 26.69 C ATOM 7 CD LYS A 1 13.237 -8.344 -0.188 1.00 23.93 C ATOM 8 CE LYS A 1 13.620 -8.423 1.305 1.00 26.10 C ATOM 9 NZ LYS A 1 14.858 -7.738 1.536 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 9.308 -9.721 -4.400 1.00 0.00 H ATOM 11 H2 LYS A 1 9.671 -8.239 -3.841 1.00 0.00 H ATOM 12 H3 LYS A 1 10.782 -9.087 -4.718 1.00 0.00 H ATOM 13 HA LYS A 1 10.917 -10.774 -3.004 1.00 0.00 H ATOM 14 HB3 LYS A 1 11.206 -7.833 -2.089 1.00 0.00 H ATOM 15 HB2 LYS A 1 12.380 -8.926 -2.817 1.00 0.00 H ATOM 16 HG3 LYS A 1 12.360 -10.283 -0.659 1.00 0.00 H ATOM 17 HG2 LYS A 1 11.287 -9.004 0.054 1.00 0.00 H ATOM 18 HD3 LYS A 1 13.078 -7.322 -0.532 1.00 0.00 H ATOM 19 HD2 LYS A 1 14.094 -8.755 -0.722 1.00 0.00 H ATOM 20 HE3 LYS A 1 13.943 -9.419 1.608 1.00 0.00 H ATOM 21 HE2 LYS A 1 12.822 -8.163 2.000 1.00 0.00 H ATOM 22 HZ1 LYS A 1 14.943 -7.453 2.501 1.00 0.00 H ATOM 23 HZ2 LYS A 1 15.708 -8.263 1.383 1.00 0.00 H ATOM 24 HZ3 LYS A 1 14.871 -6.925 0.938 1.00 0.00 H ATOM 25 N VAL A 2 9.088 -11.146 -1.117 1.00 15.22 N ATOM 26 CA VAL A 2 8.137 -11.360 0.030 1.00 14.66 C ATOM 27 C VAL A 2 8.896 -10.798 1.250 1.00 14.54 C ATOM 28 O VAL A 2 9.899 -11.266 1.671 1.00 17.31 O ATOM 29 CB VAL A 2 7.904 -12.862 0.248 1.00 18.09 C ATOM 30 CG1 VAL A 2 7.216 -13.220 1.531 1.00 20.30 C ATOM 31 CG2 VAL A 2 7.177 -13.382 -1.020 1.00 21.91 C ATOM 32 H VAL A 2 9.920 -11.700 -1.260 1.00 0.00 H ATOM 33 HA VAL A 2 7.148 -10.923 -0.106 1.00 0.00 H ATOM 34 HB VAL A 2 8.895 -13.313 0.307 1.00 0.00 H ATOM 35 HG11 VAL A 2 6.278 -12.673 1.628 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.831 -14.235 1.436 1.00 0.00 H ATOM 37 HG13 VAL A 2 7.705 -13.200 2.505 1.00 0.00 H ATOM 38 HG21 VAL A 2 6.762 -14.359 -0.772 1.00 0.00 H ATOM 39 HG22 VAL A 2 6.467 -12.681 -1.458 1.00 0.00 H ATOM 40 HG23 VAL A 2 7.982 -13.552 -1.734 1.00 0.00 H ATOM 41 N PHE A 3 8.525 -9.615 1.744 1.00 13.22 N ATOM 42 CA PHE A 3 9.277 -8.898 2.797 1.00 12.29 C ATOM 43 C PHE A 3 8.836 -9.506 4.132 1.00 13.94 C ATOM 44 O PHE A 3 7.709 -9.860 4.409 1.00 16.04 O ATOM 45 CB PHE A 3 8.907 -7.396 2.855 1.00 13.14 C ATOM 46 CG PHE A 3 9.834 -6.548 1.993 1.00 12.43 C ATOM 47 CD1 PHE A 3 9.452 -6.067 0.690 1.00 14.74 C ATOM 48 CD2 PHE A 3 11.124 -6.178 2.491 1.00 14.77 C ATOM 49 CE1 PHE A 3 10.331 -5.260 -0.085 1.00 16.85 C ATOM 50 CE2 PHE A 3 11.984 -5.368 1.724 1.00 16.48 C ATOM 51 CZ PHE A 3 11.561 -4.940 0.472 1.00 16.12 C ATOM 52 H PHE A 3 7.798 -9.127 1.240 1.00 0.00 H ATOM 53 HA PHE A 3 10.363 -8.858 2.714 1.00 0.00 H ATOM 54 HB3 PHE A 3 8.996 -6.936 3.839 1.00 0.00 H ATOM 55 HB2 PHE A 3 7.865 -7.194 2.608 1.00 0.00 H ATOM 56 HD1 PHE A 3 8.478 -6.404 0.368 1.00 0.00 H ATOM 57 HD2 PHE A 3 11.406 -6.582 3.452 1.00 0.00 H ATOM 58 HE1 PHE A 3 10.094 -5.039 -1.115 1.00 0.00 H ATOM 59 HE2 PHE A 3 12.933 -5.034 2.116 1.00 0.00 H ATOM 60 HZ PHE A 3 12.293 -4.376 -0.089 1.00 0.00 H ATOM 61 N GLU A 4 9.749 -9.676 5.071 1.00 14.86 N ATOM 62 CA GLU A 4 9.552 -9.958 6.509 1.00 16.55 C ATOM 63 C GLU A 4 9.069 -8.624 7.193 1.00 14.12 C ATOM 64 O GLU A 4 9.406 -7.527 6.679 1.00 14.27 O ATOM 65 CB GLU A 4 10.906 -10.354 7.190 1.00 21.19 C ATOM 66 CG GLU A 4 11.489 -11.730 6.892 1.00 34.01 C ATOM 67 CD GLU A 4 12.915 -11.906 7.389 1.00 39.62 C ATOM 68 OE1 GLU A 4 12.998 -12.084 8.611 1.00 49.70 O ATOM 69 OE2 GLU A 4 13.833 -11.843 6.575 1.00 48.74 O1- ATOM 70 H GLU A 4 10.708 -9.554 4.779 1.00 0.00 H ATOM 71 HA GLU A 4 8.831 -10.771 6.585 1.00 0.00 H ATOM 72 HB3 GLU A 4 10.572 -10.376 8.227 1.00 0.00 H ATOM 73 HB2 GLU A 4 11.671 -9.578 7.180 1.00 0.00 H ATOM 74 HG3 GLU A 4 11.347 -12.014 5.849 1.00 0.00 H ATOM 75 HG2 GLU A 4 10.898 -12.481 7.415 1.00 0.00 H ATOM 76 N ARG A 5 8.183 -8.877 8.238 1.00 13.42 N ATOM 77 CA ARG A 5 7.494 -7.901 9.135 1.00 13.70 C ATOM 78 C ARG A 5 8.400 -6.609 9.394 1.00 11.54 C ATOM 79 O ARG A 5 8.254 -5.549 8.728 1.00 12.11 O ATOM 80 CB ARG A 5 7.109 -8.620 10.401 1.00 14.12 C ATOM 81 CG ARG A 5 6.505 -7.688 11.523 1.00 16.72 C ATOM 82 CD ARG A 5 5.809 -8.418 12.677 1.00 19.34 C ATOM 83 NE ARG A 5 6.862 -8.955 13.601 1.00 20.28 N ATOM 84 CZ ARG A 5 6.963 -8.796 14.969 1.00 21.61 C ATOM 85 NH1 ARG A 5 6.057 -8.145 15.766 1.00 24.48 N ATOM 86 NH2 ARG A 5 7.993 -9.302 15.599 1.00 23.88 N1+ ATOM 87 H ARG A 5 8.133 -9.837 8.548 1.00 0.00 H ATOM 88 HA ARG A 5 6.529 -7.577 8.745 1.00 0.00 H ATOM 89 HB3 ARG A 5 7.968 -9.128 10.840 1.00 0.00 H ATOM 90 HB2 ARG A 5 6.331 -9.340 10.146 1.00 0.00 H ATOM 91 HG3 ARG A 5 5.812 -6.950 11.120 1.00 0.00 H ATOM 92 HG2 ARG A 5 7.298 -7.052 11.918 1.00 0.00 H ATOM 93 HD3 ARG A 5 5.265 -9.307 12.357 1.00 0.00 H ATOM 94 HD2 ARG A 5 5.064 -7.773 13.144 1.00 0.00 H ATOM 95 HE ARG A 5 7.569 -9.408 13.040 1.00 0.00 H ATOM 96 HH12 ARG A 5 6.291 -7.778 16.677 1.00 0.00 H ATOM 97 HH11 ARG A 5 5.099 -7.944 15.515 1.00 0.00 H ATOM 98 HH22 ARG A 5 8.107 -9.107 16.584 1.00 0.00 H ATOM 99 HH21 ARG A 5 8.733 -9.775 15.101 1.00 0.00 H ATOM 100 N CYS A 6 9.341 -6.739 10.329 1.00 12.58 N ATOM 101 CA CYS A 6 10.136 -5.609 10.887 1.00 12.42 C ATOM 102 C CYS A 6 10.991 -4.893 9.879 1.00 11.86 C ATOM 103 O CYS A 6 11.063 -3.673 9.925 1.00 13.27 O ATOM 104 CB CYS A 6 10.923 -6.121 12.147 1.00 13.64 C ATOM 105 SG CYS A 6 9.745 -6.730 13.502 1.00 16.20 S ATOM 106 H CYS A 6 9.571 -7.644 10.713 1.00 0.00 H ATOM 107 HA CYS A 6 9.557 -4.833 11.388 1.00 0.00 H ATOM 108 HB3 CYS A 6 11.358 -5.258 12.651 1.00 0.00 H ATOM 109 HB2 CYS A 6 11.810 -6.736 11.992 1.00 0.00 H ATOM 110 N GLU A 7 11.594 -5.637 8.853 1.00 12.12 N ATOM 111 CA GLU A 7 12.324 -5.083 7.765 1.00 12.07 C ATOM 112 C GLU A 7 11.406 -4.043 7.015 1.00 11.12 C ATOM 113 O GLU A 7 11.811 -2.897 6.775 1.00 12.80 O ATOM 114 CB GLU A 7 12.775 -6.162 6.835 1.00 16.60 C ATOM 115 CG GLU A 7 13.411 -5.606 5.489 1.00 18.77 C ATOM 116 CD GLU A 7 14.099 -6.678 4.765 1.00 21.58 C ATOM 117 OE1 GLU A 7 13.724 -7.835 4.924 1.00 21.23 O ATOM 118 OE2 GLU A 7 14.827 -6.305 3.811 1.00 26.51 O1- ATOM 119 H GLU A 7 11.584 -6.643 8.933 1.00 0.00 H ATOM 120 HA GLU A 7 13.271 -4.639 8.073 1.00 0.00 H ATOM 121 HB3 GLU A 7 11.905 -6.683 6.436 1.00 0.00 H ATOM 122 HB2 GLU A 7 13.456 -6.855 7.330 1.00 0.00 H ATOM 123 HG3 GLU A 7 14.208 -4.909 5.748 1.00 0.00 H ATOM 124 HG2 GLU A 7 12.772 -4.959 4.888 1.00 0.00 H ATOM 125 N LEU A 8 10.144 -4.450 6.624 1.00 11.84 N ATOM 126 CA LEU A 8 9.132 -3.622 5.932 1.00 10.90 C ATOM 127 C LEU A 8 8.773 -2.362 6.789 1.00 10.67 C ATOM 128 O LEU A 8 8.741 -1.203 6.414 1.00 11.45 O ATOM 129 CB LEU A 8 7.965 -4.453 5.446 1.00 11.53 C ATOM 130 CG LEU A 8 7.060 -3.747 4.360 1.00 11.62 C ATOM 131 CD1 LEU A 8 7.775 -3.529 3.045 1.00 14.29 C ATOM 132 CD2 LEU A 8 5.679 -4.423 4.146 1.00 16.83 C ATOM 133 H LEU A 8 9.829 -5.408 6.667 1.00 0.00 H ATOM 134 HA LEU A 8 9.684 -3.166 5.110 1.00 0.00 H ATOM 135 HB3 LEU A 8 7.466 -4.625 6.400 1.00 0.00 H ATOM 136 HB2 LEU A 8 8.280 -5.401 5.010 1.00 0.00 H ATOM 137 HG LEU A 8 6.899 -2.728 4.713 1.00 0.00 H ATOM 138 HD11 LEU A 8 7.165 -3.120 2.240 1.00 0.00 H ATOM 139 HD12 LEU A 8 8.605 -2.830 3.153 1.00 0.00 H ATOM 140 HD13 LEU A 8 8.261 -4.445 2.707 1.00 0.00 H ATOM 141 HD21 LEU A 8 5.039 -3.822 3.500 1.00 0.00 H ATOM 142 HD22 LEU A 8 5.787 -5.425 3.732 1.00 0.00 H ATOM 143 HD23 LEU A 8 5.191 -4.660 5.091 1.00 0.00 H ATOM 144 N ALA A 9 8.550 -2.591 8.086 1.00 10.92 N ATOM 145 CA ALA A 9 8.315 -1.597 9.094 1.00 11.36 C ATOM 146 C ALA A 9 9.446 -0.595 9.302 1.00 12.02 C ATOM 147 O ALA A 9 9.164 0.591 9.377 1.00 11.55 O ATOM 148 CB ALA A 9 8.016 -2.262 10.438 1.00 13.31 C ATOM 149 H ALA A 9 8.538 -3.552 8.396 1.00 0.00 H ATOM 150 HA ALA A 9 7.500 -0.966 8.738 1.00 0.00 H ATOM 151 HB1 ALA A 9 7.248 -3.034 10.400 1.00 0.00 H ATOM 152 HB2 ALA A 9 8.804 -2.727 11.030 1.00 0.00 H ATOM 153 HB3 ALA A 9 7.506 -1.548 11.085 1.00 0.00 H ATOM 154 N ARG A 10 10.700 -1.090 9.403 1.00 11.89 N ATOM 155 CA ARG A 10 11.824 -0.124 9.498 1.00 12.26 C ATOM 156 C ARG A 10 12.114 0.516 8.094 1.00 11.30 C ATOM 157 O ARG A 10 12.496 1.669 8.002 1.00 13.37 O ATOM 158 CB ARG A 10 13.084 -0.843 10.021 1.00 15.41 C ATOM 159 CG ARG A 10 13.081 -1.237 11.513 1.00 17.40 C ATOM 160 CD ARG A 10 14.400 -1.973 11.926 1.00 21.37 C ATOM 161 NE ARG A 10 14.507 -3.363 11.455 1.00 20.21 N ATOM 162 CZ ARG A 10 14.458 -4.466 12.223 1.00 19.83 C ATOM 163 NH1 ARG A 10 14.109 -4.476 13.496 1.00 20.32 N ATOM 164 NH2 ARG A 10 14.552 -5.552 11.561 1.00 23.03 N1+ ATOM 165 H ARG A 10 10.904 -2.079 9.361 1.00 0.00 H ATOM 166 HA ARG A 10 11.554 0.723 10.130 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.940 -0.279 9.653 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.202 -1.784 9.483 1.00 0.00 H ATOM 169 HG3 ARG A 10 12.230 -1.822 11.863 1.00 0.00 H ATOM 170 HG2 ARG A 10 13.172 -0.323 12.100 1.00 0.00 H ATOM 171 HD3 ARG A 10 14.556 -1.891 13.002 1.00 0.00 H ATOM 172 HD2 ARG A 10 15.186 -1.321 11.545 1.00 0.00 H ATOM 173 HE ARG A 10 14.574 -3.443 10.451 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.088 -5.371 13.964 1.00 0.00 H ATOM 175 HH11 ARG A 10 13.727 -3.686 13.996 1.00 0.00 H ATOM 176 HH22 ARG A 10 14.548 -6.458 12.007 1.00 0.00 H ATOM 177 HH21 ARG A 10 15.004 -5.615 10.659 1.00 0.00 H ATOM 178 N THR A 11 11.797 -0.149 7.002 1.00 11.61 N ATOM 179 CA THR A 11 11.830 0.471 5.626 1.00 11.60 C ATOM 180 C THR A 11 10.745 1.540 5.396 1.00 11.46 C ATOM 181 O THR A 11 11.064 2.620 4.920 1.00 12.79 O ATOM 182 CB THR A 11 11.632 -0.661 4.560 1.00 13.51 C ATOM 183 OG1 THR A 11 12.809 -1.449 4.628 1.00 15.51 O ATOM 184 CG2 THR A 11 11.526 -0.171 3.122 1.00 15.20 C ATOM 185 H THR A 11 11.435 -1.055 7.262 1.00 0.00 H ATOM 186 HA THR A 11 12.803 0.944 5.491 1.00 0.00 H ATOM 187 HB THR A 11 10.764 -1.292 4.749 1.00 0.00 H ATOM 188 HG1 THR A 11 12.671 -1.964 5.409 1.00 0.00 H ATOM 189 HG21 THR A 11 12.313 0.509 2.797 1.00 0.00 H ATOM 190 HG22 THR A 11 11.644 -1.058 2.499 1.00 0.00 H ATOM 191 HG23 THR A 11 10.561 0.175 2.751 1.00 0.00 H ATOM 192 N LEU A 12 9.513 1.264 5.817 1.00 10.78 N ATOM 193 CA LEU A 12 8.433 2.287 5.858 1.00 11.18 C ATOM 194 C LEU A 12 8.592 3.446 6.907 1.00 11.18 C ATOM 195 O LEU A 12 8.228 4.565 6.603 1.00 12.56 O ATOM 196 CB LEU A 12 7.088 1.548 6.032 1.00 12.02 C ATOM 197 CG LEU A 12 6.652 0.647 4.815 1.00 12.75 C ATOM 198 CD1 LEU A 12 5.535 -0.308 5.167 1.00 17.07 C ATOM 199 CD2 LEU A 12 6.305 1.538 3.610 1.00 16.49 C ATOM 200 H LEU A 12 9.294 0.366 6.224 1.00 0.00 H ATOM 201 HA LEU A 12 8.528 2.715 4.860 1.00 0.00 H ATOM 202 HB3 LEU A 12 6.317 2.307 6.165 1.00 0.00 H ATOM 203 HB2 LEU A 12 7.023 0.919 6.920 1.00 0.00 H ATOM 204 HG LEU A 12 7.538 0.105 4.485 1.00 0.00 H ATOM 205 HD11 LEU A 12 5.481 -1.061 4.381 1.00 0.00 H ATOM 206 HD12 LEU A 12 5.820 -0.948 6.002 1.00 0.00 H ATOM 207 HD13 LEU A 12 4.551 0.113 5.374 1.00 0.00 H ATOM 208 HD21 LEU A 12 7.203 2.038 3.248 1.00 0.00 H ATOM 209 HD22 LEU A 12 5.811 1.171 2.710 1.00 0.00 H ATOM 210 HD23 LEU A 12 5.607 2.229 4.082 1.00 0.00 H ATOM 211 N LYS A 13 9.203 3.182 8.076 1.00 11.39 N ATOM 212 CA LYS A 13 9.648 4.167 8.999 1.00 11.97 C ATOM 213 C LYS A 13 10.713 5.094 8.350 1.00 12.47 C ATOM 214 O LYS A 13 10.638 6.286 8.565 1.00 13.70 O ATOM 215 CB LYS A 13 10.216 3.421 10.217 1.00 16.60 C ATOM 216 CG LYS A 13 10.703 4.256 11.462 1.00 22.62 C ATOM 217 CD LYS A 13 9.626 4.942 12.313 1.00 30.87 C ATOM 218 CE LYS A 13 10.241 5.882 13.461 1.00 37.86 C ATOM 219 NZ LYS A 13 9.263 6.360 14.490 1.00 58.06 N1+ ATOM 220 H LYS A 13 9.516 2.268 8.370 1.00 0.00 H ATOM 221 HA LYS A 13 8.797 4.686 9.442 1.00 0.00 H ATOM 222 HB3 LYS A 13 11.086 2.836 9.919 1.00 0.00 H ATOM 223 HB2 LYS A 13 9.456 2.757 10.628 1.00 0.00 H ATOM 224 HG3 LYS A 13 11.350 5.051 11.092 1.00 0.00 H ATOM 225 HG2 LYS A 13 11.182 3.615 12.202 1.00 0.00 H ATOM 226 HD3 LYS A 13 8.924 4.248 12.775 1.00 0.00 H ATOM 227 HD2 LYS A 13 9.019 5.630 11.725 1.00 0.00 H ATOM 228 HE3 LYS A 13 10.797 6.675 12.962 1.00 0.00 H ATOM 229 HE2 LYS A 13 11.078 5.330 13.889 1.00 0.00 H ATOM 230 HZ1 LYS A 13 8.853 5.565 14.959 1.00 0.00 H ATOM 231 HZ2 LYS A 13 9.746 6.924 15.174 1.00 0.00 H ATOM 232 HZ3 LYS A 13 8.456 6.835 14.111 1.00 0.00 H ATOM 233 N ARG A 14 11.656 4.538 7.621 1.00 12.34 N ATOM 234 CA ARG A 14 12.745 5.336 6.925 1.00 12.96 C ATOM 235 C ARG A 14 12.173 6.106 5.691 1.00 11.94 C ATOM 236 O ARG A 14 12.661 7.187 5.532 1.00 14.46 O ATOM 237 CB ARG A 14 13.820 4.293 6.387 1.00 15.74 C ATOM 238 CG ARG A 14 14.775 3.862 7.594 1.00 21.21 C ATOM 239 CD ARG A 14 15.967 3.094 7.131 1.00 28.16 C ATOM 240 NE ARG A 14 15.704 1.975 6.233 1.00 30.61 N ATOM 241 CZ ARG A 14 15.715 0.702 6.475 1.00 30.91 C ATOM 242 NH1 ARG A 14 16.005 0.154 7.682 1.00 32.12 N ATOM 243 NH2 ARG A 14 15.392 -0.199 5.482 1.00 31.46 N1+ ATOM 244 H ARG A 14 11.779 3.541 7.513 1.00 0.00 H ATOM 245 HA ARG A 14 13.224 6.044 7.601 1.00 0.00 H ATOM 246 HB3 ARG A 14 14.429 4.854 5.678 1.00 0.00 H ATOM 247 HB2 ARG A 14 13.317 3.467 5.883 1.00 0.00 H ATOM 248 HG3 ARG A 14 14.340 3.202 8.345 1.00 0.00 H ATOM 249 HG2 ARG A 14 14.938 4.702 8.270 1.00 0.00 H ATOM 250 HD3 ARG A 14 16.586 2.836 7.990 1.00 0.00 H ATOM 251 HD2 ARG A 14 16.687 3.760 6.656 1.00 0.00 H ATOM 252 HE ARG A 14 15.540 2.250 5.275 1.00 0.00 H ATOM 253 HH12 ARG A 14 15.963 -0.843 7.837 1.00 0.00 H ATOM 254 HH11 ARG A 14 16.177 0.727 8.496 1.00 0.00 H ATOM 255 HH22 ARG A 14 15.287 -1.190 5.648 1.00 0.00 H ATOM 256 HH21 ARG A 14 15.266 0.066 4.515 1.00 0.00 H ATOM 257 N LEU A 15 11.223 5.540 4.985 1.00 11.41 N ATOM 258 CA LEU A 15 10.468 6.330 3.982 1.00 11.71 C ATOM 259 C LEU A 15 9.312 7.047 4.676 1.00 12.33 C ATOM 260 O LEU A 15 8.464 7.643 3.960 1.00 15.00 O ATOM 261 CB LEU A 15 9.908 5.427 2.878 1.00 13.70 C ATOM 262 CG LEU A 15 10.862 4.513 2.102 1.00 15.21 C ATOM 263 CD1 LEU A 15 10.303 3.305 1.353 1.00 16.24 C ATOM 264 CD2 LEU A 15 11.670 5.341 1.143 1.00 20.49 C ATOM 265 H LEU A 15 11.140 4.540 5.102 1.00 0.00 H ATOM 266 HA LEU A 15 11.132 7.128 3.649 1.00 0.00 H ATOM 267 HB3 LEU A 15 9.389 6.046 2.145 1.00 0.00 H ATOM 268 HB2 LEU A 15 9.134 4.829 3.360 1.00 0.00 H ATOM 269 HG LEU A 15 11.681 4.236 2.765 1.00 0.00 H ATOM 270 HD11 LEU A 15 11.168 2.750 0.989 1.00 0.00 H ATOM 271 HD12 LEU A 15 9.786 2.750 2.136 1.00 0.00 H ATOM 272 HD13 LEU A 15 9.624 3.535 0.531 1.00 0.00 H ATOM 273 HD21 LEU A 15 11.987 6.243 1.666 1.00 0.00 H ATOM 274 HD22 LEU A 15 12.554 4.816 0.782 1.00 0.00 H ATOM 275 HD23 LEU A 15 11.048 5.668 0.310 1.00 0.00 H ATOM 276 N GLY A 16 9.324 7.336 5.975 1.00 12.66 N ATOM 277 CA GLY A 16 8.692 8.495 6.601 1.00 13.48 C ATOM 278 C GLY A 16 7.208 8.251 7.025 1.00 12.84 C ATOM 279 O GLY A 16 6.429 9.219 7.176 1.00 15.76 O ATOM 280 H GLY A 16 9.930 6.788 6.570 1.00 0.00 H ATOM 281 HA3 GLY A 16 8.558 9.316 5.897 1.00 0.00 H ATOM 282 HA2 GLY A 16 9.366 8.993 7.298 1.00 0.00 H ATOM 283 N MET A 17 6.728 7.026 6.908 1.00 11.57 N ATOM 284 CA MET A 17 5.290 6.687 6.913 1.00 11.60 C ATOM 285 C MET A 17 4.621 6.670 8.309 1.00 11.86 C ATOM 286 O MET A 17 3.449 6.337 8.434 1.00 14.20 O ATOM 287 CB MET A 17 4.967 5.361 6.165 1.00 13.14 C ATOM 288 CG MET A 17 5.414 5.429 4.663 1.00 14.11 C ATOM 289 SD MET A 17 4.616 6.519 3.462 1.00 18.03 S ATOM 290 CE MET A 17 2.907 6.051 3.608 1.00 24.42 C ATOM 291 H MET A 17 7.403 6.315 6.665 1.00 0.00 H ATOM 292 HA MET A 17 4.758 7.485 6.396 1.00 0.00 H ATOM 293 HB3 MET A 17 3.889 5.197 6.170 1.00 0.00 H ATOM 294 HB2 MET A 17 5.453 4.516 6.652 1.00 0.00 H ATOM 295 HG3 MET A 17 5.144 4.456 4.253 1.00 0.00 H ATOM 296 HG2 MET A 17 6.498 5.538 4.622 1.00 0.00 H ATOM 297 HE1 MET A 17 2.272 6.278 2.751 1.00 0.00 H ATOM 298 HE2 MET A 17 2.842 4.975 3.766 1.00 0.00 H ATOM 299 HE3 MET A 17 2.472 6.470 4.515 1.00 0.00 H ATOM 300 N ASP A 18 5.339 7.021 9.340 1.00 12.93 N ATOM 301 CA ASP A 18 4.952 6.890 10.740 1.00 14.41 C ATOM 302 C ASP A 18 4.243 8.126 11.089 1.00 14.70 C ATOM 303 O ASP A 18 4.792 9.139 11.392 1.00 17.65 O ATOM 304 CB ASP A 18 6.221 6.560 11.571 1.00 16.44 C ATOM 305 CG ASP A 18 6.369 7.230 12.969 1.00 19.56 C ATOM 306 OD1 ASP A 18 5.305 7.222 13.670 1.00 20.72 O ATOM 307 OD2 ASP A 18 7.467 7.631 13.329 1.00 29.13 O1- ATOM 308 H ASP A 18 6.314 7.200 9.147 1.00 0.00 H ATOM 309 HA ASP A 18 4.149 6.168 10.889 1.00 0.00 H ATOM 310 HB3 ASP A 18 7.089 6.762 10.942 1.00 0.00 H ATOM 311 HB2 ASP A 18 6.237 5.474 11.655 1.00 0.00 H ATOM 312 N GLY A 19 2.937 8.096 10.928 1.00 12.95 N ATOM 313 CA GLY A 19 2.114 9.297 11.192 1.00 15.05 C ATOM 314 C GLY A 19 1.934 10.220 9.985 1.00 12.69 C ATOM 315 O GLY A 19 1.424 11.300 10.273 1.00 15.26 O ATOM 316 H GLY A 19 2.517 7.219 10.656 1.00 0.00 H ATOM 317 HA3 GLY A 19 2.430 9.823 12.093 1.00 0.00 H ATOM 318 HA2 GLY A 19 1.121 8.962 11.491 1.00 0.00 H ATOM 319 N TYR A 20 2.159 9.793 8.740 1.00 13.11 N ATOM 320 CA TYR A 20 1.913 10.556 7.522 1.00 11.95 C ATOM 321 C TYR A 20 0.388 10.729 7.405 1.00 11.72 C ATOM 322 O TYR A 20 -0.354 9.788 7.170 1.00 12.45 O ATOM 323 CB TYR A 20 2.654 9.952 6.321 1.00 12.49 C ATOM 324 CG TYR A 20 2.702 10.814 5.001 1.00 12.45 C ATOM 325 CD1 TYR A 20 3.844 11.684 4.756 1.00 15.37 C ATOM 326 CD2 TYR A 20 1.625 10.749 4.135 1.00 12.41 C ATOM 327 CE1 TYR A 20 3.782 12.422 3.575 1.00 16.89 C ATOM 328 CE2 TYR A 20 1.624 11.517 2.899 1.00 13.65 C ATOM 329 CZ TYR A 20 2.707 12.300 2.588 1.00 15.67 C ATOM 330 OH TYR A 20 2.650 13.073 1.468 1.00 20.08 O ATOM 331 H TYR A 20 2.260 8.789 8.709 1.00 0.00 H ATOM 332 HA TYR A 20 2.393 11.520 7.693 1.00 0.00 H ATOM 333 HB3 TYR A 20 2.192 8.996 6.075 1.00 0.00 H ATOM 334 HB2 TYR A 20 3.704 9.830 6.588 1.00 0.00 H ATOM 335 HD1 TYR A 20 4.673 11.833 5.431 1.00 0.00 H ATOM 336 HD2 TYR A 20 0.724 10.224 4.414 1.00 0.00 H ATOM 337 HE1 TYR A 20 4.579 13.110 3.337 1.00 0.00 H ATOM 338 HE2 TYR A 20 0.758 11.529 2.253 1.00 0.00 H ATOM 339 HH TYR A 20 3.451 13.567 1.393 1.00 0.00 H ATOM 340 N ARG A 21 -0.135 11.959 7.711 1.00 13.06 N ATOM 341 CA ARG A 21 -1.538 12.300 7.701 1.00 14.28 C ATOM 342 C ARG A 21 -2.189 11.946 9.055 1.00 13.33 C ATOM 343 O ARG A 21 -3.434 11.869 9.155 1.00 14.35 O ATOM 344 CB ARG A 21 -2.370 11.835 6.411 1.00 16.78 C ATOM 345 CG ARG A 21 -1.750 12.293 5.133 1.00 25.30 C ATOM 346 CD ARG A 21 -2.178 13.714 4.771 1.00 33.61 C ATOM 347 NE ARG A 21 -3.382 13.905 3.917 1.00 56.79 N ATOM 348 CZ ARG A 21 -3.827 15.151 3.519 1.00 61.31 C ATOM 349 NH1 ARG A 21 -3.041 16.213 3.598 1.00 60.56 N ATOM 350 NH2 ARG A 21 -5.080 15.155 3.107 1.00 45.90 N1+ ATOM 351 H ARG A 21 0.508 12.681 8.004 1.00 0.00 H ATOM 352 HA ARG A 21 -1.571 13.390 7.717 1.00 0.00 H ATOM 353 HB3 ARG A 21 -3.403 12.183 6.388 1.00 0.00 H ATOM 354 HB2 ARG A 21 -2.415 10.746 6.372 1.00 0.00 H ATOM 355 HG3 ARG A 21 -2.135 11.696 4.306 1.00 0.00 H ATOM 356 HG2 ARG A 21 -0.663 12.225 5.093 1.00 0.00 H ATOM 357 HD3 ARG A 21 -1.387 14.185 4.187 1.00 0.00 H ATOM 358 HD2 ARG A 21 -2.196 14.345 5.659 1.00 0.00 H ATOM 359 HE ARG A 21 -3.948 13.100 3.689 1.00 0.00 H ATOM 360 HH12 ARG A 21 -3.305 17.147 3.317 1.00 0.00 H ATOM 361 HH11 ARG A 21 -2.148 16.247 4.069 1.00 0.00 H ATOM 362 HH22 ARG A 21 -5.460 15.845 2.475 1.00 0.00 H ATOM 363 HH21 ARG A 21 -5.673 14.380 3.369 1.00 0.00 H ATOM 364 N GLY A 22 -1.421 11.741 10.079 1.00 12.43 N ATOM 365 CA GLY A 22 -1.817 11.127 11.305 1.00 12.76 C ATOM 366 C GLY A 22 -2.022 9.597 11.292 1.00 11.21 C ATOM 367 O GLY A 22 -2.615 9.133 12.185 1.00 12.81 O ATOM 368 H GLY A 22 -0.451 11.767 9.798 1.00 0.00 H ATOM 369 HA3 GLY A 22 -2.742 11.432 11.795 1.00 0.00 H ATOM 370 HA2 GLY A 22 -0.970 11.275 11.975 1.00 0.00 H ATOM 371 N ILE A 23 -1.728 8.823 10.227 1.00 11.07 N ATOM 372 CA ILE A 23 -1.954 7.415 10.146 1.00 11.77 C ATOM 373 C ILE A 23 -0.627 6.806 10.733 1.00 10.74 C ATOM 374 O ILE A 23 0.364 6.977 10.047 1.00 12.48 O ATOM 375 CB ILE A 23 -2.277 7.020 8.663 1.00 10.86 C ATOM 376 CG1 ILE A 23 -3.420 7.859 7.980 1.00 12.80 C ATOM 377 CG2 ILE A 23 -2.564 5.512 8.482 1.00 13.41 C ATOM 378 CD1 ILE A 23 -3.534 7.788 6.402 1.00 14.46 C ATOM 379 H ILE A 23 -1.296 9.289 9.442 1.00 0.00 H ATOM 380 HA ILE A 23 -2.709 7.083 10.858 1.00 0.00 H ATOM 381 HB ILE A 23 -1.357 7.216 8.111 1.00 0.00 H ATOM 382 HG13 ILE A 23 -3.370 8.913 8.251 1.00 0.00 H ATOM 383 HG12 ILE A 23 -4.412 7.634 8.372 1.00 0.00 H ATOM 384 HG21 ILE A 23 -2.707 5.164 7.459 1.00 0.00 H ATOM 385 HG22 ILE A 23 -1.784 4.880 8.907 1.00 0.00 H ATOM 386 HG23 ILE A 23 -3.393 5.170 9.101 1.00 0.00 H ATOM 387 HD11 ILE A 23 -4.409 8.360 6.094 1.00 0.00 H ATOM 388 HD12 ILE A 23 -2.645 8.201 5.925 1.00 0.00 H ATOM 389 HD13 ILE A 23 -3.639 6.796 5.962 1.00 0.00 H ATOM 390 N SER A 24 -0.660 6.299 11.982 1.00 11.50 N ATOM 391 CA SER A 24 0.364 5.476 12.550 1.00 11.97 C ATOM 392 C SER A 24 0.746 4.222 11.725 1.00 11.84 C ATOM 393 O SER A 24 -0.095 3.539 11.136 1.00 11.40 O ATOM 394 CB SER A 24 -0.175 5.196 13.966 1.00 12.92 C ATOM 395 OG SER A 24 -1.284 4.334 13.958 1.00 13.62 O ATOM 396 H SER A 24 -1.602 6.274 12.348 1.00 0.00 H ATOM 397 HA SER A 24 1.252 6.102 12.633 1.00 0.00 H ATOM 398 HB3 SER A 24 -0.172 6.096 14.581 1.00 0.00 H ATOM 399 HB2 SER A 24 0.612 4.643 14.478 1.00 0.00 H ATOM 400 HG SER A 24 -2.100 4.763 13.747 1.00 0.00 H ATOM 401 N LEU A 25 2.036 3.911 11.755 1.00 12.17 N ATOM 402 CA LEU A 25 2.724 2.919 10.941 1.00 12.23 C ATOM 403 C LEU A 25 2.016 1.549 10.888 1.00 12.01 C ATOM 404 O LEU A 25 1.884 0.941 9.826 1.00 12.74 O ATOM 405 CB LEU A 25 4.220 2.813 11.369 1.00 14.96 C ATOM 406 CG LEU A 25 5.241 2.230 10.454 1.00 13.26 C ATOM 407 CD1 LEU A 25 5.382 3.143 9.232 1.00 18.00 C ATOM 408 CD2 LEU A 25 6.621 2.168 11.137 1.00 15.14 C ATOM 409 H LEU A 25 2.625 4.524 12.300 1.00 0.00 H ATOM 410 HA LEU A 25 2.672 3.207 9.891 1.00 0.00 H ATOM 411 HB3 LEU A 25 4.293 2.213 12.275 1.00 0.00 H ATOM 412 HB2 LEU A 25 4.671 3.676 11.859 1.00 0.00 H ATOM 413 HG LEU A 25 4.963 1.215 10.169 1.00 0.00 H ATOM 414 HD11 LEU A 25 6.045 2.659 8.515 1.00 0.00 H ATOM 415 HD12 LEU A 25 4.482 3.321 8.644 1.00 0.00 H ATOM 416 HD13 LEU A 25 5.759 4.107 9.576 1.00 0.00 H ATOM 417 HD21 LEU A 25 6.927 3.084 11.640 1.00 0.00 H ATOM 418 HD22 LEU A 25 6.648 1.327 11.829 1.00 0.00 H ATOM 419 HD23 LEU A 25 7.445 1.914 10.470 1.00 0.00 H ATOM 420 N ALA A 26 1.416 1.131 11.977 1.00 11.62 N ATOM 421 CA ALA A 26 0.607 -0.009 12.170 1.00 12.16 C ATOM 422 C ALA A 26 -0.372 -0.377 11.038 1.00 12.03 C ATOM 423 O ALA A 26 -0.569 -1.536 10.696 1.00 12.52 O ATOM 424 CB ALA A 26 -0.255 0.183 13.405 1.00 14.36 C ATOM 425 H ALA A 26 1.497 1.729 12.787 1.00 0.00 H ATOM 426 HA ALA A 26 1.280 -0.828 12.424 1.00 0.00 H ATOM 427 HB1 ALA A 26 -0.971 -0.632 13.513 1.00 0.00 H ATOM 428 HB2 ALA A 26 0.324 0.141 14.328 1.00 0.00 H ATOM 429 HB3 ALA A 26 -0.589 1.220 13.444 1.00 0.00 H ATOM 430 N ASN A 27 -0.964 0.663 10.457 1.00 11.30 N ATOM 431 CA ASN A 27 -2.186 0.617 9.681 1.00 11.72 C ATOM 432 C ASN A 27 -1.762 0.430 8.170 1.00 11.31 C ATOM 433 O ASN A 27 -2.511 -0.228 7.405 1.00 12.02 O ATOM 434 CB ASN A 27 -3.022 1.903 9.879 1.00 11.67 C ATOM 435 CG ASN A 27 -3.754 1.799 11.191 1.00 12.91 C ATOM 436 OD1 ASN A 27 -4.845 1.203 11.144 1.00 15.81 O ATOM 437 ND2 ASN A 27 -3.267 2.400 12.267 1.00 15.94 N ATOM 438 H ASN A 27 -0.653 1.551 10.824 1.00 0.00 H ATOM 439 HA ASN A 27 -2.712 -0.299 9.947 1.00 0.00 H ATOM 440 HB3 ASN A 27 -3.679 1.952 9.010 1.00 0.00 H ATOM 441 HB2 ASN A 27 -2.406 2.795 9.765 1.00 0.00 H ATOM 442 HD22 ASN A 27 -3.707 2.325 13.173 1.00 0.00 H ATOM 443 HD21 ASN A 27 -2.391 2.899 12.198 1.00 0.00 H ATOM 444 N TRP A 28 -0.635 1.010 7.803 1.00 10.26 N ATOM 445 CA TRP A 28 0.021 0.752 6.530 1.00 10.77 C ATOM 446 C TRP A 28 0.734 -0.626 6.628 1.00 11.26 C ATOM 447 O TRP A 28 0.811 -1.341 5.665 1.00 11.17 O ATOM 448 CB TRP A 28 1.182 1.799 6.337 1.00 10.49 C ATOM 449 CG TRP A 28 0.725 3.236 6.375 1.00 10.02 C ATOM 450 CD1 TRP A 28 0.805 4.037 7.468 1.00 12.17 C ATOM 451 CD2 TRP A 28 0.278 4.034 5.204 1.00 10.69 C ATOM 452 NE1 TRP A 28 0.352 5.271 7.129 1.00 12.53 N ATOM 453 CE2 TRP A 28 0.122 5.363 5.710 1.00 11.35 C ATOM 454 CE3 TRP A 28 -0.044 3.791 3.839 1.00 12.47 C ATOM 455 CZ2 TRP A 28 -0.314 6.410 4.870 1.00 13.34 C ATOM 456 CZ3 TRP A 28 -0.511 4.847 3.016 1.00 14.07 C ATOM 457 CH2 TRP A 28 -0.510 6.134 3.522 1.00 14.86 C ATOM 458 H TRP A 28 -0.144 1.482 8.548 1.00 0.00 H ATOM 459 HA TRP A 28 -0.662 0.709 5.681 1.00 0.00 H ATOM 460 HB3 TRP A 28 1.606 1.639 5.345 1.00 0.00 H ATOM 461 HB2 TRP A 28 1.924 1.657 7.122 1.00 0.00 H ATOM 462 HD1 TRP A 28 1.050 3.714 8.469 1.00 0.00 H ATOM 463 HE1 TRP A 28 0.295 5.980 7.846 1.00 0.00 H ATOM 464 HE3 TRP A 28 0.077 2.830 3.362 1.00 0.00 H ATOM 465 HZ2 TRP A 28 -0.297 7.434 5.215 1.00 0.00 H ATOM 466 HZ3 TRP A 28 -0.736 4.592 1.990 1.00 0.00 H ATOM 467 HH2 TRP A 28 -0.782 6.895 2.806 1.00 0.00 H ATOM 468 N MET A 29 1.215 -1.064 7.790 1.00 10.67 N ATOM 469 CA MET A 29 1.813 -2.386 7.919 1.00 10.61 C ATOM 470 C MET A 29 0.719 -3.544 7.873 1.00 11.13 C ATOM 471 O MET A 29 0.974 -4.650 7.378 1.00 11.94 O ATOM 472 CB MET A 29 2.657 -2.503 9.225 1.00 11.54 C ATOM 473 CG MET A 29 4.152 -2.077 9.030 1.00 12.10 C ATOM 474 SD MET A 29 5.144 -3.057 7.915 1.00 14.40 S ATOM 475 CE MET A 29 4.916 -4.760 8.564 1.00 17.16 C ATOM 476 H MET A 29 1.181 -0.460 8.599 1.00 0.00 H ATOM 477 HA MET A 29 2.564 -2.505 7.139 1.00 0.00 H ATOM 478 HB3 MET A 29 2.582 -3.553 9.507 1.00 0.00 H ATOM 479 HB2 MET A 29 2.274 -1.875 10.029 1.00 0.00 H ATOM 480 HG3 MET A 29 4.506 -2.322 10.032 1.00 0.00 H ATOM 481 HG2 MET A 29 4.212 -0.989 9.036 1.00 0.00 H ATOM 482 HE1 MET A 29 5.722 -5.270 8.036 1.00 0.00 H ATOM 483 HE2 MET A 29 5.231 -4.826 9.605 1.00 0.00 H ATOM 484 HE3 MET A 29 3.949 -5.127 8.222 1.00 0.00 H ATOM 485 N CYS A 30 -0.453 -3.233 8.382 1.00 11.31 N ATOM 486 CA CYS A 30 -1.507 -4.245 8.436 1.00 11.47 C ATOM 487 C CYS A 30 -2.078 -4.468 7.026 1.00 12.45 C ATOM 488 O CYS A 30 -2.321 -5.572 6.613 1.00 12.88 O ATOM 489 CB CYS A 30 -2.582 -3.561 9.255 1.00 12.22 C ATOM 490 SG CYS A 30 -4.072 -4.464 9.586 1.00 13.65 S ATOM 491 H CYS A 30 -0.530 -2.364 8.891 1.00 0.00 H ATOM 492 HA CYS A 30 -1.183 -5.174 8.904 1.00 0.00 H ATOM 493 HB3 CYS A 30 -2.893 -2.647 8.749 1.00 0.00 H ATOM 494 HB2 CYS A 30 -2.196 -3.501 10.273 1.00 0.00 H ATOM 495 N LEU A 31 -2.211 -3.376 6.265 1.00 11.57 N ATOM 496 CA LEU A 31 -2.715 -3.404 4.950 1.00 12.27 C ATOM 497 C LEU A 31 -1.867 -4.188 3.922 1.00 11.08 C ATOM 498 O LEU A 31 -2.369 -5.097 3.298 1.00 12.30 O ATOM 499 CB LEU A 31 -2.779 -1.898 4.452 1.00 13.03 C ATOM 500 CG LEU A 31 -3.341 -1.675 2.999 1.00 12.69 C ATOM 501 CD1 LEU A 31 -4.674 -2.346 2.791 1.00 15.53 C ATOM 502 CD2 LEU A 31 -3.397 -0.159 2.753 1.00 16.22 C ATOM 503 H LEU A 31 -1.987 -2.472 6.656 1.00 0.00 H ATOM 504 HA LEU A 31 -3.724 -3.811 5.001 1.00 0.00 H ATOM 505 HB3 LEU A 31 -1.842 -1.345 4.390 1.00 0.00 H ATOM 506 HB2 LEU A 31 -3.363 -1.319 5.168 1.00 0.00 H ATOM 507 HG LEU A 31 -2.582 -2.016 2.295 1.00 0.00 H ATOM 508 HD11 LEU A 31 -5.231 -2.021 3.669 1.00 0.00 H ATOM 509 HD12 LEU A 31 -5.280 -2.086 1.922 1.00 0.00 H ATOM 510 HD13 LEU A 31 -4.572 -3.431 2.832 1.00 0.00 H ATOM 511 HD21 LEU A 31 -3.625 0.144 1.730 1.00 0.00 H ATOM 512 HD22 LEU A 31 -4.017 0.356 3.487 1.00 0.00 H ATOM 513 HD23 LEU A 31 -2.398 0.241 2.921 1.00 0.00 H ATOM 514 N ALA A 32 -0.569 -3.948 3.895 1.00 11.51 N ATOM 515 CA ALA A 32 0.397 -4.747 3.079 1.00 11.12 C ATOM 516 C ALA A 32 0.302 -6.263 3.411 1.00 11.09 C ATOM 517 O ALA A 32 0.597 -7.039 2.467 1.00 13.12 O ATOM 518 CB ALA A 32 1.858 -4.292 3.239 1.00 12.81 C ATOM 519 H ALA A 32 -0.202 -3.318 4.594 1.00 0.00 H ATOM 520 HA ALA A 32 0.150 -4.591 2.029 1.00 0.00 H ATOM 521 HB1 ALA A 32 2.477 -5.034 2.734 1.00 0.00 H ATOM 522 HB2 ALA A 32 2.042 -3.277 2.889 1.00 0.00 H ATOM 523 HB3 ALA A 32 2.154 -4.417 4.281 1.00 0.00 H ATOM 524 N LYS A 33 0.073 -6.750 4.584 1.00 10.96 N ATOM 525 CA LYS A 33 -0.078 -8.185 4.841 1.00 12.88 C ATOM 526 C LYS A 33 -1.352 -8.754 4.159 1.00 12.92 C ATOM 527 O LYS A 33 -1.326 -9.706 3.409 1.00 14.54 O ATOM 528 CB LYS A 33 -0.216 -8.290 6.348 1.00 14.78 C ATOM 529 CG LYS A 33 0.140 -9.681 6.979 1.00 24.35 C ATOM 530 CD LYS A 33 -1.039 -10.622 7.142 1.00 31.88 C ATOM 531 CE LYS A 33 -0.766 -12.136 7.501 1.00 43.51 C ATOM 532 NZ LYS A 33 -0.270 -12.235 8.835 1.00 44.62 N1+ ATOM 533 H LYS A 33 -0.140 -6.073 5.302 1.00 0.00 H ATOM 534 HA LYS A 33 0.755 -8.707 4.370 1.00 0.00 H ATOM 535 HB3 LYS A 33 -1.215 -8.111 6.747 1.00 0.00 H ATOM 536 HB2 LYS A 33 0.306 -7.478 6.855 1.00 0.00 H ATOM 537 HG3 LYS A 33 0.746 -9.671 7.885 1.00 0.00 H ATOM 538 HG2 LYS A 33 0.771 -10.184 6.245 1.00 0.00 H ATOM 539 HD3 LYS A 33 -1.458 -10.640 6.136 1.00 0.00 H ATOM 540 HD2 LYS A 33 -1.829 -10.285 7.814 1.00 0.00 H ATOM 541 HE3 LYS A 33 -0.106 -12.658 6.808 1.00 0.00 H ATOM 542 HE2 LYS A 33 -1.674 -12.693 7.274 1.00 0.00 H ATOM 543 HZ1 LYS A 33 0.739 -12.265 8.786 1.00 0.00 H ATOM 544 HZ2 LYS A 33 -0.638 -11.512 9.436 1.00 0.00 H ATOM 545 HZ3 LYS A 33 -0.369 -13.117 9.317 1.00 0.00 H ATOM 546 N TRP A 34 -2.478 -8.120 4.521 1.00 12.70 N ATOM 547 CA TRP A 34 -3.893 -8.462 4.161 1.00 13.46 C ATOM 548 C TRP A 34 -4.129 -8.396 2.662 1.00 13.18 C ATOM 549 O TRP A 34 -4.971 -9.094 2.110 1.00 18.23 O ATOM 550 CB TRP A 34 -4.954 -7.639 4.945 1.00 14.44 C ATOM 551 CG TRP A 34 -5.153 -8.087 6.360 1.00 13.70 C ATOM 552 CD1 TRP A 34 -4.937 -7.399 7.511 1.00 14.63 C ATOM 553 CD2 TRP A 34 -5.793 -9.368 6.770 1.00 16.12 C ATOM 554 NE1 TRP A 34 -5.212 -8.204 8.543 1.00 17.71 N ATOM 555 CE2 TRP A 34 -5.670 -9.485 8.169 1.00 16.71 C ATOM 556 CE3 TRP A 34 -6.325 -10.492 6.085 1.00 17.51 C ATOM 557 CZ2 TRP A 34 -5.917 -10.672 8.893 1.00 23.07 C ATOM 558 CZ3 TRP A 34 -6.677 -11.694 6.766 1.00 23.60 C ATOM 559 CH2 TRP A 34 -6.383 -11.825 8.138 1.00 24.86 C ATOM 560 H TRP A 34 -2.351 -7.386 5.203 1.00 0.00 H ATOM 561 HA TRP A 34 -4.108 -9.522 4.300 1.00 0.00 H ATOM 562 HB3 TRP A 34 -5.967 -7.657 4.543 1.00 0.00 H ATOM 563 HB2 TRP A 34 -4.655 -6.591 4.969 1.00 0.00 H ATOM 564 HD1 TRP A 34 -4.553 -6.389 7.491 1.00 0.00 H ATOM 565 HE1 TRP A 34 -5.019 -7.960 9.504 1.00 0.00 H ATOM 566 HE3 TRP A 34 -6.416 -10.369 5.016 1.00 0.00 H ATOM 567 HZ2 TRP A 34 -5.609 -10.817 9.918 1.00 0.00 H ATOM 568 HZ3 TRP A 34 -6.998 -12.615 6.303 1.00 0.00 H ATOM 569 HH2 TRP A 34 -6.342 -12.712 8.752 1.00 0.00 H ATOM 570 N GLU A 35 -3.417 -7.467 2.014 1.00 12.38 N ATOM 571 CA GLU A 35 -3.538 -7.201 0.557 1.00 13.11 C ATOM 572 C GLU A 35 -2.496 -8.070 -0.216 1.00 13.40 C ATOM 573 O GLU A 35 -2.918 -8.746 -1.200 1.00 14.31 O ATOM 574 CB GLU A 35 -3.102 -5.728 0.236 1.00 13.51 C ATOM 575 CG GLU A 35 -4.266 -4.787 0.398 1.00 13.78 C ATOM 576 CD GLU A 35 -5.385 -4.734 -0.637 1.00 15.30 C ATOM 577 OE1 GLU A 35 -5.548 -5.713 -1.468 1.00 17.48 O ATOM 578 OE2 GLU A 35 -6.084 -3.744 -0.708 1.00 19.70 O1- ATOM 579 H GLU A 35 -2.696 -6.989 2.535 1.00 0.00 H ATOM 580 HA GLU A 35 -4.514 -7.407 0.120 1.00 0.00 H ATOM 581 HB3 GLU A 35 -2.767 -5.626 -0.796 1.00 0.00 H ATOM 582 HB2 GLU A 35 -2.211 -5.421 0.785 1.00 0.00 H ATOM 583 HG3 GLU A 35 -3.944 -3.750 0.489 1.00 0.00 H ATOM 584 HG2 GLU A 35 -4.632 -4.914 1.417 1.00 0.00 H ATOM 585 N SER A 36 -1.259 -8.315 0.229 1.00 13.52 N ATOM 586 CA SER A 36 -0.231 -8.866 -0.667 1.00 13.25 C ATOM 587 C SER A 36 0.416 -10.110 -0.093 1.00 13.07 C ATOM 588 O SER A 36 0.917 -10.920 -0.863 1.00 15.89 O ATOM 589 CB SER A 36 0.794 -7.743 -1.067 1.00 13.02 C ATOM 590 OG SER A 36 1.635 -7.404 0.006 1.00 13.33 O ATOM 591 H SER A 36 -1.028 -8.170 1.202 1.00 0.00 H ATOM 592 HA SER A 36 -0.617 -9.291 -1.594 1.00 0.00 H ATOM 593 HB3 SER A 36 0.217 -6.936 -1.516 1.00 0.00 H ATOM 594 HB2 SER A 36 1.345 -8.210 -1.884 1.00 0.00 H ATOM 595 HG SER A 36 1.075 -6.999 0.651 1.00 0.00 H ATOM 596 N GLY A 37 0.389 -10.240 1.213 1.00 14.49 N ATOM 597 CA GLY A 37 1.282 -11.061 2.017 1.00 14.62 C ATOM 598 C GLY A 37 2.693 -10.456 2.135 1.00 12.70 C ATOM 599 O GLY A 37 3.659 -11.193 2.254 1.00 16.12 O ATOM 600 H GLY A 37 -0.055 -9.553 1.805 1.00 0.00 H ATOM 601 HA3 GLY A 37 1.350 -12.090 1.666 1.00 0.00 H ATOM 602 HA2 GLY A 37 0.809 -11.171 2.993 1.00 0.00 H ATOM 603 N TYR A 38 2.840 -9.073 2.140 1.00 12.50 N ATOM 604 CA TYR A 38 4.187 -8.444 2.022 1.00 12.41 C ATOM 605 C TYR A 38 4.992 -8.739 0.706 1.00 12.36 C ATOM 606 O TYR A 38 6.242 -8.592 0.770 1.00 15.84 O ATOM 607 CB TYR A 38 5.085 -8.685 3.367 1.00 13.48 C ATOM 608 CG TYR A 38 4.403 -8.483 4.676 1.00 12.71 C ATOM 609 CD1 TYR A 38 3.708 -7.252 4.881 1.00 13.92 C ATOM 610 CD2 TYR A 38 4.625 -9.354 5.769 1.00 15.27 C ATOM 611 CE1 TYR A 38 3.079 -7.024 6.135 1.00 14.18 C ATOM 612 CE2 TYR A 38 4.057 -9.073 7.014 1.00 16.12 C ATOM 613 CZ TYR A 38 3.226 -7.919 7.150 1.00 14.45 C ATOM 614 OH TYR A 38 2.672 -7.606 8.347 1.00 16.66 O ATOM 615 H TYR A 38 2.045 -8.480 1.953 1.00 0.00 H ATOM 616 HA TYR A 38 3.798 -7.433 1.895 1.00 0.00 H ATOM 617 HB3 TYR A 38 5.983 -8.068 3.388 1.00 0.00 H ATOM 618 HB2 TYR A 38 5.507 -9.689 3.401 1.00 0.00 H ATOM 619 HD1 TYR A 38 3.576 -6.567 4.056 1.00 0.00 H ATOM 620 HD2 TYR A 38 5.197 -10.252 5.587 1.00 0.00 H ATOM 621 HE1 TYR A 38 2.376 -6.231 6.343 1.00 0.00 H ATOM 622 HE2 TYR A 38 4.147 -9.774 7.830 1.00 0.00 H ATOM 623 HH TYR A 38 2.089 -6.872 8.223 1.00 0.00 H ATOM 624 N ASN A 39 4.339 -9.005 -0.425 1.00 13.71 N ATOM 625 CA ASN A 39 5.025 -9.343 -1.637 1.00 13.00 C ATOM 626 C ASN A 39 4.877 -8.061 -2.521 1.00 12.31 C ATOM 627 O ASN A 39 3.779 -7.566 -2.776 1.00 13.82 O ATOM 628 CB ASN A 39 4.153 -10.472 -2.223 1.00 14.34 C ATOM 629 CG ASN A 39 4.758 -11.043 -3.471 1.00 15.85 C ATOM 630 OD1 ASN A 39 5.874 -10.545 -3.865 1.00 15.88 O ATOM 631 ND2 ASN A 39 4.183 -12.045 -4.076 1.00 20.01 N ATOM 632 H ASN A 39 3.345 -8.827 -0.428 1.00 0.00 H ATOM 633 HA ASN A 39 6.054 -9.677 -1.504 1.00 0.00 H ATOM 634 HB3 ASN A 39 3.127 -10.166 -2.430 1.00 0.00 H ATOM 635 HB2 ASN A 39 4.143 -11.290 -1.503 1.00 0.00 H ATOM 636 HD22 ASN A 39 4.555 -12.183 -5.005 1.00 0.00 H ATOM 637 HD21 ASN A 39 3.249 -12.330 -3.820 1.00 0.00 H ATOM 638 N THR A 40 6.017 -7.529 -2.948 1.00 11.81 N ATOM 639 CA THR A 40 6.032 -6.388 -3.899 1.00 12.68 C ATOM 640 C THR A 40 5.600 -6.799 -5.283 1.00 12.56 C ATOM 641 O THR A 40 5.178 -5.950 -6.058 1.00 15.38 O ATOM 642 CB THR A 40 7.484 -5.825 -3.871 1.00 13.66 C ATOM 643 OG1 THR A 40 8.343 -6.961 -4.028 1.00 14.74 O ATOM 644 CG2 THR A 40 7.794 -5.082 -2.593 1.00 15.36 C ATOM 645 H THR A 40 6.910 -7.926 -2.695 1.00 0.00 H ATOM 646 HA THR A 40 5.343 -5.613 -3.564 1.00 0.00 H ATOM 647 HB THR A 40 7.632 -5.184 -4.740 1.00 0.00 H ATOM 648 HG1 THR A 40 9.149 -6.605 -4.368 1.00 0.00 H ATOM 649 HG21 THR A 40 8.784 -4.667 -2.782 1.00 0.00 H ATOM 650 HG22 THR A 40 7.170 -4.219 -2.365 1.00 0.00 H ATOM 651 HG23 THR A 40 7.866 -5.722 -1.713 1.00 0.00 H ATOM 652 N ARG A 41 5.791 -8.029 -5.792 1.00 13.38 N ATOM 653 CA ARG A 41 5.350 -8.528 -7.108 1.00 16.46 C ATOM 654 C ARG A 41 3.863 -8.918 -7.132 1.00 15.27 C ATOM 655 O ARG A 41 3.433 -9.554 -8.019 1.00 19.49 O ATOM 656 CB ARG A 41 6.240 -9.706 -7.510 1.00 17.28 C ATOM 657 CG ARG A 41 6.431 -10.100 -9.012 1.00 34.08 C ATOM 658 CD ARG A 41 7.544 -11.184 -9.371 1.00 39.13 C ATOM 659 NE ARG A 41 7.255 -12.310 -10.250 1.00 41.14 N ATOM 660 CZ ARG A 41 7.610 -12.648 -11.512 1.00 39.71 C ATOM 661 NH1 ARG A 41 8.330 -11.777 -12.206 1.00 40.71 N ATOM 662 NH2 ARG A 41 7.276 -13.781 -12.073 1.00 42.79 N1+ ATOM 663 H ARG A 41 5.979 -8.661 -5.026 1.00 0.00 H ATOM 664 HA ARG A 41 5.637 -7.725 -7.787 1.00 0.00 H ATOM 665 HB3 ARG A 41 5.877 -10.572 -6.956 1.00 0.00 H ATOM 666 HB2 ARG A 41 7.286 -9.575 -7.232 1.00 0.00 H ATOM 667 HG3 ARG A 41 6.433 -9.172 -9.583 1.00 0.00 H ATOM 668 HG2 ARG A 41 5.494 -10.595 -9.268 1.00 0.00 H ATOM 669 HD3 ARG A 41 7.660 -11.676 -8.405 1.00 0.00 H ATOM 670 HD2 ARG A 41 8.472 -10.651 -9.578 1.00 0.00 H ATOM 671 HE ARG A 41 6.771 -13.041 -9.750 1.00 0.00 H ATOM 672 HH12 ARG A 41 8.660 -11.948 -13.145 1.00 0.00 H ATOM 673 HH11 ARG A 41 8.392 -10.835 -11.847 1.00 0.00 H ATOM 674 HH22 ARG A 41 7.316 -13.958 -13.067 1.00 0.00 H ATOM 675 HH21 ARG A 41 6.734 -14.482 -11.589 1.00 0.00 H ATOM 676 N ALA A 42 3.095 -8.523 -6.142 1.00 15.38 N ATOM 677 CA ALA A 42 1.664 -8.843 -6.043 1.00 15.24 C ATOM 678 C ALA A 42 0.677 -8.101 -7.026 1.00 14.57 C ATOM 679 O ALA A 42 0.834 -6.895 -7.191 1.00 14.15 O ATOM 680 CB ALA A 42 1.194 -8.462 -4.603 1.00 19.09 C ATOM 681 H ALA A 42 3.467 -8.052 -5.330 1.00 0.00 H ATOM 682 HA ALA A 42 1.511 -9.914 -6.178 1.00 0.00 H ATOM 683 HB1 ALA A 42 0.183 -8.868 -4.631 1.00 0.00 H ATOM 684 HB2 ALA A 42 1.752 -9.073 -3.893 1.00 0.00 H ATOM 685 HB3 ALA A 42 1.367 -7.401 -4.422 1.00 0.00 H ATOM 686 N THR A 43 -0.309 -8.770 -7.591 1.00 16.63 N ATOM 687 CA THR A 43 -1.174 -8.262 -8.589 1.00 16.63 C ATOM 688 C THR A 43 -2.439 -9.089 -8.588 1.00 17.66 C ATOM 689 O THR A 43 -2.393 -10.316 -8.603 1.00 23.52 O ATOM 690 CB THR A 43 -0.564 -8.153 -10.005 1.00 21.44 C ATOM 691 OG1 THR A 43 -0.358 -9.369 -10.671 1.00 28.38 O ATOM 692 CG2 THR A 43 0.607 -7.171 -10.228 1.00 24.72 C ATOM 693 H THR A 43 -0.453 -9.727 -7.303 1.00 0.00 H ATOM 694 HA THR A 43 -1.358 -7.284 -8.144 1.00 0.00 H ATOM 695 HB THR A 43 -1.379 -7.747 -10.606 1.00 0.00 H ATOM 696 HG1 THR A 43 0.398 -9.795 -10.298 1.00 0.00 H ATOM 697 HG21 THR A 43 0.191 -6.253 -9.814 1.00 0.00 H ATOM 698 HG22 THR A 43 1.623 -7.437 -9.938 1.00 0.00 H ATOM 699 HG23 THR A 43 0.660 -6.881 -11.278 1.00 0.00 H ATOM 700 N ASN A 44 -3.611 -8.474 -8.507 1.00 17.38 N ATOM 701 CA ASN A 44 -4.995 -8.979 -8.617 1.00 17.36 C ATOM 702 C ASN A 44 -5.544 -8.270 -9.871 1.00 16.77 C ATOM 703 O ASN A 44 -5.621 -7.055 -9.938 1.00 16.39 O ATOM 704 CB ASN A 44 -5.728 -8.397 -7.407 1.00 21.27 C ATOM 705 CG ASN A 44 -7.242 -8.682 -7.377 1.00 33.34 C ATOM 706 OD1 ASN A 44 -7.734 -9.787 -6.971 1.00 40.32 O ATOM 707 ND2 ASN A 44 -8.064 -7.751 -7.747 1.00 43.32 N ATOM 708 H ASN A 44 -3.502 -7.476 -8.400 1.00 0.00 H ATOM 709 HA ASN A 44 -5.153 -10.057 -8.626 1.00 0.00 H ATOM 710 HB3 ASN A 44 -5.671 -7.313 -7.316 1.00 0.00 H ATOM 711 HB2 ASN A 44 -5.385 -8.948 -6.531 1.00 0.00 H ATOM 712 HD22 ASN A 44 -9.044 -7.933 -7.588 1.00 0.00 H ATOM 713 HD21 ASN A 44 -7.647 -6.944 -8.191 1.00 0.00 H ATOM 714 N TYR A 45 -5.875 -9.037 -10.907 1.00 20.06 N ATOM 715 CA TYR A 45 -6.560 -8.564 -12.107 1.00 19.26 C ATOM 716 C TYR A 45 -8.051 -8.399 -11.739 1.00 18.33 C ATOM 717 O TYR A 45 -8.686 -9.362 -11.256 1.00 21.79 O ATOM 718 CB TYR A 45 -6.348 -9.417 -13.317 1.00 21.83 C ATOM 719 CG TYR A 45 -6.929 -8.936 -14.555 1.00 20.44 C ATOM 720 CD1 TYR A 45 -6.527 -7.735 -15.233 1.00 22.19 C ATOM 721 CD2 TYR A 45 -7.852 -9.702 -15.229 1.00 22.96 C ATOM 722 CE1 TYR A 45 -7.112 -7.250 -16.366 1.00 21.20 C ATOM 723 CE2 TYR A 45 -8.417 -9.267 -16.460 1.00 22.77 C ATOM 724 CZ TYR A 45 -8.051 -8.032 -16.995 1.00 22.00 C ATOM 725 OH TYR A 45 -8.712 -7.661 -18.117 1.00 25.95 O ATOM 726 H TYR A 45 -5.771 -10.018 -10.689 1.00 0.00 H ATOM 727 HA TYR A 45 -6.115 -7.585 -12.284 1.00 0.00 H ATOM 728 HB3 TYR A 45 -6.754 -10.417 -13.164 1.00 0.00 H ATOM 729 HB2 TYR A 45 -5.277 -9.583 -13.432 1.00 0.00 H ATOM 730 HD1 TYR A 45 -5.928 -7.072 -14.626 1.00 0.00 H ATOM 731 HD2 TYR A 45 -8.149 -10.645 -14.796 1.00 0.00 H ATOM 732 HE1 TYR A 45 -6.735 -6.349 -16.826 1.00 0.00 H ATOM 733 HE2 TYR A 45 -9.053 -9.931 -17.027 1.00 0.00 H ATOM 734 HH TYR A 45 -9.276 -8.365 -18.398 1.00 0.00 H ATOM 735 N ASN A 46 -8.643 -7.253 -12.147 1.00 17.53 N ATOM 736 CA ASN A 46 -10.092 -7.012 -12.051 1.00 18.07 C ATOM 737 C ASN A 46 -10.638 -7.268 -13.501 1.00 16.83 C ATOM 738 O ASN A 46 -10.862 -6.308 -14.231 1.00 18.09 O ATOM 739 CB ASN A 46 -10.484 -5.702 -11.439 1.00 19.02 C ATOM 740 CG ASN A 46 -10.011 -5.526 -10.033 1.00 21.80 C ATOM 741 OD1 ASN A 46 -10.181 -6.360 -9.160 1.00 27.14 O ATOM 742 ND2 ASN A 46 -9.134 -4.555 -9.802 1.00 24.42 N ATOM 743 H ASN A 46 -8.074 -6.505 -12.516 1.00 0.00 H ATOM 744 HA ASN A 46 -10.538 -7.764 -11.401 1.00 0.00 H ATOM 745 HB3 ASN A 46 -11.545 -5.525 -11.614 1.00 0.00 H ATOM 746 HB2 ASN A 46 -10.086 -4.791 -11.885 1.00 0.00 H ATOM 747 HD22 ASN A 46 -8.526 -4.568 -8.995 1.00 0.00 H ATOM 748 HD21 ASN A 46 -9.072 -3.795 -10.465 1.00 0.00 H ATOM 749 N ALA A 47 -10.972 -8.523 -13.843 1.00 19.59 N ATOM 750 CA ALA A 47 -11.629 -8.985 -15.095 1.00 23.80 C ATOM 751 C ALA A 47 -13.050 -8.435 -15.213 1.00 22.64 C ATOM 752 O ALA A 47 -13.540 -8.430 -16.317 1.00 24.61 O ATOM 753 CB ALA A 47 -11.504 -10.543 -15.111 1.00 27.76 C ATOM 754 H ALA A 47 -10.800 -9.169 -13.086 1.00 0.00 H ATOM 755 HA ALA A 47 -11.035 -8.586 -15.918 1.00 0.00 H ATOM 756 HB1 ALA A 47 -10.448 -10.733 -14.917 1.00 0.00 H ATOM 757 HB2 ALA A 47 -12.013 -10.976 -14.250 1.00 0.00 H ATOM 758 HB3 ALA A 47 -11.755 -11.029 -16.053 1.00 0.00 H ATOM 759 N GLY A 48 -13.622 -7.910 -14.137 1.00 19.99 N ATOM 760 CA GLY A 48 -14.977 -7.345 -14.064 1.00 22.07 C ATOM 761 C GLY A 48 -14.955 -5.871 -14.435 1.00 19.81 C ATOM 762 O GLY A 48 -15.980 -5.351 -14.817 1.00 24.08 O ATOM 763 H GLY A 48 -13.190 -8.347 -13.335 1.00 0.00 H ATOM 764 HA3 GLY A 48 -15.341 -7.440 -13.041 1.00 0.00 H ATOM 765 HA2 GLY A 48 -15.691 -7.807 -14.746 1.00 0.00 H ATOM 766 N ASP A 49 -13.836 -5.156 -14.358 1.00 18.77 N ATOM 767 CA ASP A 49 -13.568 -3.742 -14.705 1.00 20.35 C ATOM 768 C ASP A 49 -12.321 -3.408 -15.552 1.00 17.80 C ATOM 769 O ASP A 49 -12.281 -2.260 -16.015 1.00 21.18 O ATOM 770 CB ASP A 49 -13.736 -2.755 -13.613 1.00 20.26 C ATOM 771 CG ASP A 49 -12.781 -2.917 -12.534 1.00 24.33 C ATOM 772 OD1 ASP A 49 -11.636 -2.511 -12.663 1.00 19.65 O ATOM 773 OD2 ASP A 49 -13.164 -3.481 -11.526 1.00 32.10 O1- ATOM 774 H ASP A 49 -13.001 -5.722 -14.316 1.00 0.00 H ATOM 775 HA ASP A 49 -14.377 -3.478 -15.386 1.00 0.00 H ATOM 776 HB3 ASP A 49 -14.767 -2.883 -13.283 1.00 0.00 H ATOM 777 HB2 ASP A 49 -13.679 -1.721 -13.952 1.00 0.00 H ATOM 778 N ARG A 50 -11.344 -4.284 -15.729 1.00 19.86 N ATOM 779 CA ARG A 50 -10.219 -4.238 -16.619 1.00 19.68 C ATOM 780 C ARG A 50 -8.985 -3.462 -16.071 1.00 18.06 C ATOM 781 O ARG A 50 -8.054 -3.175 -16.872 1.00 22.50 O ATOM 782 CB ARG A 50 -10.556 -3.879 -18.034 1.00 26.39 C ATOM 783 CG ARG A 50 -11.478 -4.959 -18.692 1.00 33.44 C ATOM 784 CD ARG A 50 -11.702 -4.669 -20.195 1.00 35.73 C ATOM 785 NE ARG A 50 -12.591 -3.562 -20.349 1.00 39.51 N ATOM 786 CZ ARG A 50 -13.758 -3.543 -20.983 1.00 35.58 C ATOM 787 NH1 ARG A 50 -14.153 -4.498 -21.820 1.00 54.84 N ATOM 788 NH2 ARG A 50 -14.624 -2.521 -20.797 1.00 33.65 N1+ ATOM 789 H ARG A 50 -11.248 -5.113 -15.159 1.00 0.00 H ATOM 790 HA ARG A 50 -9.937 -5.291 -16.626 1.00 0.00 H ATOM 791 HB3 ARG A 50 -9.626 -3.802 -18.598 1.00 0.00 H ATOM 792 HB2 ARG A 50 -10.929 -2.855 -18.057 1.00 0.00 H ATOM 793 HG3 ARG A 50 -12.416 -5.177 -18.182 1.00 0.00 H ATOM 794 HG2 ARG A 50 -10.952 -5.914 -18.708 1.00 0.00 H ATOM 795 HD3 ARG A 50 -12.238 -5.561 -20.520 1.00 0.00 H ATOM 796 HD2 ARG A 50 -10.726 -4.445 -20.627 1.00 0.00 H ATOM 797 HE ARG A 50 -12.324 -2.762 -19.794 1.00 0.00 H ATOM 798 HH12 ARG A 50 -15.134 -4.721 -21.912 1.00 0.00 H ATOM 799 HH11 ARG A 50 -13.461 -5.122 -22.211 1.00 0.00 H ATOM 800 HH22 ARG A 50 -15.320 -2.371 -21.513 1.00 0.00 H ATOM 801 HH21 ARG A 50 -14.711 -1.983 -19.947 1.00 0.00 H ATOM 802 N SER A 51 -8.942 -3.203 -14.779 1.00 16.75 N ATOM 803 CA SER A 51 -7.770 -2.745 -13.967 1.00 15.62 C ATOM 804 C SER A 51 -6.986 -3.997 -13.490 1.00 15.04 C ATOM 805 O SER A 51 -7.484 -5.114 -13.325 1.00 16.06 O ATOM 806 CB SER A 51 -8.271 -1.775 -12.857 1.00 14.40 C ATOM 807 OG SER A 51 -9.206 -2.318 -11.917 1.00 15.71 O ATOM 808 H SER A 51 -9.663 -3.706 -14.283 1.00 0.00 H ATOM 809 HA SER A 51 -7.149 -2.174 -14.658 1.00 0.00 H ATOM 810 HB3 SER A 51 -8.793 -0.919 -13.284 1.00 0.00 H ATOM 811 HB2 SER A 51 -7.427 -1.340 -12.320 1.00 0.00 H ATOM 812 HG SER A 51 -10.039 -2.455 -12.342 1.00 0.00 H ATOM 813 N THR A 52 -5.777 -3.690 -12.911 1.00 13.80 N ATOM 814 CA THR A 52 -5.070 -4.597 -12.040 1.00 11.94 C ATOM 815 C THR A 52 -4.842 -3.749 -10.785 1.00 12.46 C ATOM 816 O THR A 52 -4.557 -2.554 -10.976 1.00 13.36 O ATOM 817 CB THR A 52 -3.735 -5.012 -12.759 1.00 13.80 C ATOM 818 OG1 THR A 52 -4.032 -5.810 -13.933 1.00 15.81 O ATOM 819 CG2 THR A 52 -2.795 -5.778 -11.890 1.00 13.89 C ATOM 820 H THR A 52 -5.317 -2.793 -12.973 1.00 0.00 H ATOM 821 HA THR A 52 -5.669 -5.455 -11.736 1.00 0.00 H ATOM 822 HB THR A 52 -3.139 -4.148 -13.052 1.00 0.00 H ATOM 823 HG1 THR A 52 -4.562 -5.232 -14.460 1.00 0.00 H ATOM 824 HG21 THR A 52 -1.898 -6.055 -12.444 1.00 0.00 H ATOM 825 HG22 THR A 52 -2.473 -5.356 -10.938 1.00 0.00 H ATOM 826 HG23 THR A 52 -3.069 -6.790 -11.589 1.00 0.00 H ATOM 827 N ASP A 53 -4.978 -4.347 -9.589 1.00 12.43 N ATOM 828 CA ASP A 53 -4.571 -3.713 -8.301 1.00 12.59 C ATOM 829 C ASP A 53 -3.128 -4.253 -8.246 1.00 12.09 C ATOM 830 O ASP A 53 -2.823 -5.409 -8.597 1.00 13.31 O ATOM 831 CB ASP A 53 -5.409 -4.112 -7.095 1.00 14.50 C ATOM 832 CG ASP A 53 -6.858 -4.046 -7.421 1.00 17.20 C ATOM 833 OD1 ASP A 53 -7.387 -2.918 -7.358 1.00 20.85 O ATOM 834 OD2 ASP A 53 -7.479 -5.054 -7.819 1.00 22.38 O1- ATOM 835 H ASP A 53 -5.261 -5.315 -9.545 1.00 0.00 H ATOM 836 HA ASP A 53 -4.484 -2.626 -8.303 1.00 0.00 H ATOM 837 HB3 ASP A 53 -5.146 -3.539 -6.205 1.00 0.00 H ATOM 838 HB2 ASP A 53 -5.249 -5.159 -6.836 1.00 0.00 H ATOM 839 N TYR A 54 -2.151 -3.320 -8.266 1.00 12.07 N ATOM 840 CA TYR A 54 -0.626 -3.511 -8.334 1.00 11.10 C ATOM 841 C TYR A 54 0.042 -3.081 -7.110 1.00 11.14 C ATOM 842 O TYR A 54 -0.279 -1.944 -6.716 1.00 11.73 O ATOM 843 CB TYR A 54 -0.020 -2.555 -9.423 1.00 13.10 C ATOM 844 CG TYR A 54 -0.175 -2.981 -10.904 1.00 11.22 C ATOM 845 CD1 TYR A 54 -1.165 -2.304 -11.724 1.00 13.36 C ATOM 846 CD2 TYR A 54 0.775 -3.879 -11.429 1.00 13.72 C ATOM 847 CE1 TYR A 54 -1.099 -2.658 -13.084 1.00 12.26 C ATOM 848 CE2 TYR A 54 0.769 -4.223 -12.749 1.00 13.52 C ATOM 849 CZ TYR A 54 -0.107 -3.550 -13.573 1.00 12.36 C ATOM 850 OH TYR A 54 -0.039 -3.735 -14.930 1.00 13.90 O ATOM 851 H TYR A 54 -2.386 -2.337 -8.279 1.00 0.00 H ATOM 852 HA TYR A 54 -0.398 -4.546 -8.587 1.00 0.00 H ATOM 853 HB3 TYR A 54 1.031 -2.375 -9.195 1.00 0.00 H ATOM 854 HB2 TYR A 54 -0.500 -1.580 -9.340 1.00 0.00 H ATOM 855 HD1 TYR A 54 -1.821 -1.499 -11.429 1.00 0.00 H ATOM 856 HD2 TYR A 54 1.519 -4.321 -10.783 1.00 0.00 H ATOM 857 HE1 TYR A 54 -1.805 -2.124 -13.702 1.00 0.00 H ATOM 858 HE2 TYR A 54 1.565 -4.805 -13.188 1.00 0.00 H ATOM 859 HH TYR A 54 -0.555 -3.191 -15.505 1.00 0.00 H ATOM 860 N GLY A 55 1.087 -3.835 -6.625 1.00 12.01 N ATOM 861 CA GLY A 55 2.042 -3.538 -5.536 1.00 11.22 C ATOM 862 C GLY A 55 1.716 -4.182 -4.203 1.00 11.31 C ATOM 863 O GLY A 55 0.656 -4.809 -4.017 1.00 11.64 O ATOM 864 H GLY A 55 1.194 -4.745 -7.051 1.00 0.00 H ATOM 865 HA3 GLY A 55 2.163 -2.454 -5.537 1.00 0.00 H ATOM 866 HA2 GLY A 55 3.025 -3.910 -5.825 1.00 0.00 H ATOM 867 N ILE A 56 2.652 -4.088 -3.204 1.00 11.13 N ATOM 868 CA ILE A 56 2.443 -4.491 -1.871 1.00 11.06 C ATOM 869 C ILE A 56 1.082 -3.977 -1.226 1.00 10.21 C ATOM 870 O ILE A 56 0.395 -4.670 -0.493 1.00 12.58 O ATOM 871 CB ILE A 56 3.752 -4.046 -1.200 1.00 12.23 C ATOM 872 CG1 ILE A 56 3.807 -4.611 0.223 1.00 12.28 C ATOM 873 CG2 ILE A 56 3.870 -2.556 -1.356 1.00 13.92 C ATOM 874 CD1 ILE A 56 5.308 -4.932 0.508 1.00 18.90 C ATOM 875 H ILE A 56 3.539 -3.681 -3.463 1.00 0.00 H ATOM 876 HA ILE A 56 2.403 -5.580 -1.890 1.00 0.00 H ATOM 877 HB ILE A 56 4.672 -4.297 -1.727 1.00 0.00 H ATOM 878 HG13 ILE A 56 3.261 -5.541 0.382 1.00 0.00 H ATOM 879 HG12 ILE A 56 3.367 -3.900 0.922 1.00 0.00 H ATOM 880 HG21 ILE A 56 3.768 -2.234 -2.392 1.00 0.00 H ATOM 881 HG22 ILE A 56 3.145 -1.987 -0.775 1.00 0.00 H ATOM 882 HG23 ILE A 56 4.835 -2.261 -0.943 1.00 0.00 H ATOM 883 HD11 ILE A 56 5.699 -5.806 -0.013 1.00 0.00 H ATOM 884 HD12 ILE A 56 5.981 -4.117 0.242 1.00 0.00 H ATOM 885 HD13 ILE A 56 5.447 -5.119 1.572 1.00 0.00 H ATOM 886 N PHE A 57 0.704 -2.740 -1.548 1.00 10.80 N ATOM 887 CA PHE A 57 -0.566 -2.084 -1.005 1.00 11.58 C ATOM 888 C PHE A 57 -1.722 -2.191 -2.034 1.00 12.60 C ATOM 889 O PHE A 57 -2.830 -1.938 -1.579 1.00 14.93 O ATOM 890 CB PHE A 57 -0.356 -0.577 -0.774 1.00 13.21 C ATOM 891 CG PHE A 57 0.659 -0.226 0.213 1.00 13.29 C ATOM 892 CD1 PHE A 57 0.529 -0.663 1.603 1.00 15.83 C ATOM 893 CD2 PHE A 57 1.858 0.426 -0.090 1.00 17.07 C ATOM 894 CE1 PHE A 57 1.446 -0.409 2.589 1.00 21.11 C ATOM 895 CE2 PHE A 57 2.947 0.553 0.891 1.00 22.69 C ATOM 896 CZ PHE A 57 2.701 0.196 2.227 1.00 22.40 C ATOM 897 H PHE A 57 1.108 -2.275 -2.348 1.00 0.00 H ATOM 898 HA PHE A 57 -0.772 -2.527 -0.031 1.00 0.00 H ATOM 899 HB3 PHE A 57 -1.276 -0.088 -0.453 1.00 0.00 H ATOM 900 HB2 PHE A 57 -0.158 -0.030 -1.695 1.00 0.00 H ATOM 901 HD1 PHE A 57 -0.373 -1.175 1.903 1.00 0.00 H ATOM 902 HD2 PHE A 57 2.078 0.707 -1.109 1.00 0.00 H ATOM 903 HE1 PHE A 57 1.268 -0.831 3.567 1.00 0.00 H ATOM 904 HE2 PHE A 57 3.877 0.989 0.556 1.00 0.00 H ATOM 905 HZ PHE A 57 3.401 0.331 3.038 1.00 0.00 H ATOM 906 N GLN A 58 -1.468 -2.550 -3.343 1.00 11.15 N ATOM 907 CA GLN A 58 -2.605 -2.936 -4.209 1.00 11.59 C ATOM 908 C GLN A 58 -3.306 -1.591 -4.648 1.00 12.28 C ATOM 909 O GLN A 58 -4.458 -1.406 -4.401 1.00 16.38 O ATOM 910 CB GLN A 58 -3.488 -4.078 -3.549 1.00 12.66 C ATOM 911 CG GLN A 58 -2.745 -5.436 -3.475 1.00 12.90 C ATOM 912 CD GLN A 58 -2.631 -6.156 -4.819 1.00 13.93 C ATOM 913 OE1 GLN A 58 -3.562 -6.618 -5.431 1.00 15.93 O ATOM 914 NE2 GLN A 58 -1.433 -6.359 -5.320 1.00 13.81 N ATOM 915 H GLN A 58 -0.570 -2.963 -3.553 1.00 0.00 H ATOM 916 HA GLN A 58 -2.165 -3.389 -5.098 1.00 0.00 H ATOM 917 HB3 GLN A 58 -4.320 -4.124 -4.252 1.00 0.00 H ATOM 918 HB2 GLN A 58 -3.908 -3.776 -2.590 1.00 0.00 H ATOM 919 HG3 GLN A 58 -3.238 -6.090 -2.755 1.00 0.00 H ATOM 920 HG2 GLN A 58 -1.780 -5.324 -2.982 1.00 0.00 H ATOM 921 HE22 GLN A 58 -1.332 -7.086 -6.015 1.00 0.00 H ATOM 922 HE21 GLN A 58 -0.673 -5.809 -4.947 1.00 0.00 H ATOM 923 N ILE A 59 -2.439 -0.772 -5.269 1.00 11.14 N ATOM 924 CA ILE A 59 -2.680 0.440 -5.919 1.00 12.69 C ATOM 925 C ILE A 59 -3.092 0.248 -7.430 1.00 11.92 C ATOM 926 O ILE A 59 -2.508 -0.522 -8.141 1.00 12.81 O ATOM 927 CB ILE A 59 -1.309 1.253 -5.921 1.00 12.88 C ATOM 928 CG1 ILE A 59 -0.685 1.424 -4.527 1.00 16.58 C ATOM 929 CG2 ILE A 59 -1.380 2.679 -6.483 1.00 15.82 C ATOM 930 CD1 ILE A 59 0.797 1.737 -4.584 1.00 20.06 C ATOM 931 H ILE A 59 -1.598 -1.253 -5.556 1.00 0.00 H ATOM 932 HA ILE A 59 -3.378 1.078 -5.376 1.00 0.00 H ATOM 933 HB ILE A 59 -0.587 0.714 -6.534 1.00 0.00 H ATOM 934 HG13 ILE A 59 -0.793 0.505 -3.951 1.00 0.00 H ATOM 935 HG12 ILE A 59 -1.266 2.079 -3.877 1.00 0.00 H ATOM 936 HG21 ILE A 59 -0.370 2.853 -6.851 1.00 0.00 H ATOM 937 HG22 ILE A 59 -1.957 2.734 -7.406 1.00 0.00 H ATOM 938 HG23 ILE A 59 -1.860 3.427 -5.851 1.00 0.00 H ATOM 939 HD11 ILE A 59 1.146 2.140 -3.634 1.00 0.00 H ATOM 940 HD12 ILE A 59 1.415 0.866 -4.804 1.00 0.00 H ATOM 941 HD13 ILE A 59 1.043 2.573 -5.238 1.00 0.00 H ATOM 942 N ASN A 60 -4.266 0.821 -7.853 1.00 13.13 N ATOM 943 CA ASN A 60 -4.866 0.405 -9.106 1.00 12.23 C ATOM 944 C ASN A 60 -4.391 1.447 -10.236 1.00 12.37 C ATOM 945 O ASN A 60 -4.453 2.666 -10.129 1.00 15.10 O ATOM 946 CB ASN A 60 -6.378 0.482 -8.759 1.00 14.92 C ATOM 947 CG ASN A 60 -7.213 -0.165 -9.775 1.00 15.27 C ATOM 948 OD1 ASN A 60 -7.533 0.398 -10.779 1.00 18.11 O ATOM 949 ND2 ASN A 60 -7.583 -1.429 -9.540 1.00 18.70 N ATOM 950 H ASN A 60 -4.772 1.526 -7.335 1.00 0.00 H ATOM 951 HA ASN A 60 -4.571 -0.586 -9.452 1.00 0.00 H ATOM 952 HB3 ASN A 60 -6.827 1.454 -8.554 1.00 0.00 H ATOM 953 HB2 ASN A 60 -6.513 -0.033 -7.808 1.00 0.00 H ATOM 954 HD22 ASN A 60 -8.182 -1.874 -10.221 1.00 0.00 H ATOM 955 HD21 ASN A 60 -7.419 -1.898 -8.660 1.00 0.00 H ATOM 956 N SER A 61 -4.247 0.832 -11.413 1.00 12.35 N ATOM 957 CA SER A 61 -3.939 1.355 -12.686 1.00 12.09 C ATOM 958 C SER A 61 -5.100 2.120 -13.379 1.00 13.49 C ATOM 959 O SER A 61 -4.949 2.477 -14.562 1.00 15.29 O ATOM 960 CB SER A 61 -3.480 0.157 -13.538 1.00 14.79 C ATOM 961 OG SER A 61 -4.473 -0.926 -13.680 1.00 13.83 O ATOM 962 H SER A 61 -4.349 -0.154 -11.607 1.00 0.00 H ATOM 963 HA SER A 61 -3.061 1.998 -12.615 1.00 0.00 H ATOM 964 HB3 SER A 61 -2.546 -0.246 -13.146 1.00 0.00 H ATOM 965 HB2 SER A 61 -3.194 0.541 -14.518 1.00 0.00 H ATOM 966 HG SER A 61 -4.664 -1.081 -14.593 1.00 0.00 H ATOM 967 N ARG A 62 -6.257 2.290 -12.757 1.00 15.46 N ATOM 968 CA ARG A 62 -7.342 3.151 -13.282 1.00 16.61 C ATOM 969 C ARG A 62 -7.069 4.651 -12.844 1.00 16.86 C ATOM 970 O ARG A 62 -7.354 5.561 -13.651 1.00 26.96 O ATOM 971 CB ARG A 62 -8.725 2.680 -12.699 1.00 19.91 C ATOM 972 CG ARG A 62 -9.916 3.540 -13.186 1.00 26.96 C ATOM 973 CD ARG A 62 -11.270 3.022 -12.799 1.00 41.99 C ATOM 974 NE ARG A 62 -11.809 2.079 -13.830 1.00 38.78 N ATOM 975 CZ ARG A 62 -11.727 0.772 -13.918 1.00 40.02 C ATOM 976 NH1 ARG A 62 -11.268 0.029 -12.959 1.00 45.48 N ATOM 977 NH2 ARG A 62 -12.123 0.245 -15.025 1.00 51.32 N1+ ATOM 978 H ARG A 62 -6.460 1.696 -11.967 1.00 0.00 H ATOM 979 HA ARG A 62 -7.354 3.070 -14.369 1.00 0.00 H ATOM 980 HB3 ARG A 62 -8.688 2.700 -11.610 1.00 0.00 H ATOM 981 HB2 ARG A 62 -8.854 1.626 -12.945 1.00 0.00 H ATOM 982 HG3 ARG A 62 -9.885 3.621 -14.273 1.00 0.00 H ATOM 983 HG2 ARG A 62 -9.892 4.524 -12.718 1.00 0.00 H ATOM 984 HD3 ARG A 62 -12.036 3.798 -12.791 1.00 0.00 H ATOM 985 HD2 ARG A 62 -11.358 2.547 -11.821 1.00 0.00 H ATOM 986 HE ARG A 62 -12.084 2.529 -14.692 1.00 0.00 H ATOM 987 HH12 ARG A 62 -11.358 -0.975 -12.898 1.00 0.00 H ATOM 988 HH11 ARG A 62 -11.000 0.399 -12.058 1.00 0.00 H ATOM 989 HH22 ARG A 62 -12.040 -0.753 -15.150 1.00 0.00 H ATOM 990 HH21 ARG A 62 -12.643 0.806 -15.685 1.00 0.00 H ATOM 991 N TYR A 63 -6.470 4.882 -11.618 1.00 17.34 N ATOM 992 CA TYR A 63 -6.381 6.239 -11.072 1.00 17.97 C ATOM 993 C TYR A 63 -4.884 6.628 -10.976 1.00 16.02 C ATOM 994 O TYR A 63 -4.490 7.739 -11.386 1.00 19.73 O ATOM 995 CB TYR A 63 -6.829 6.114 -9.567 1.00 25.58 C ATOM 996 CG TYR A 63 -8.246 5.686 -9.357 1.00 28.37 C ATOM 997 CD1 TYR A 63 -9.347 6.289 -9.962 1.00 32.48 C ATOM 998 CD2 TYR A 63 -8.463 4.495 -8.628 1.00 34.89 C ATOM 999 CE1 TYR A 63 -10.543 5.581 -10.005 1.00 37.71 C ATOM 1000 CE2 TYR A 63 -9.693 3.835 -8.556 1.00 35.23 C ATOM 1001 CZ TYR A 63 -10.765 4.404 -9.275 1.00 35.13 C ATOM 1002 OH TYR A 63 -11.995 3.786 -9.327 1.00 45.56 O ATOM 1003 H TYR A 63 -6.218 4.135 -10.987 1.00 0.00 H ATOM 1004 HA TYR A 63 -7.087 6.965 -11.475 1.00 0.00 H ATOM 1005 HB3 TYR A 63 -6.670 7.097 -9.122 1.00 0.00 H ATOM 1006 HB2 TYR A 63 -6.167 5.399 -9.079 1.00 0.00 H ATOM 1007 HD1 TYR A 63 -9.282 7.261 -10.427 1.00 0.00 H ATOM 1008 HD2 TYR A 63 -7.700 4.116 -7.965 1.00 0.00 H ATOM 1009 HE1 TYR A 63 -11.331 5.939 -10.651 1.00 0.00 H ATOM 1010 HE2 TYR A 63 -9.696 2.879 -8.054 1.00 0.00 H ATOM 1011 HH TYR A 63 -11.941 2.970 -8.854 1.00 0.00 H ATOM 1012 N TRP A 64 -4.004 5.790 -10.360 1.00 13.82 N ATOM 1013 CA TRP A 64 -2.746 6.236 -9.800 1.00 13.15 C ATOM 1014 C TRP A 64 -1.615 5.959 -10.729 1.00 11.80 C ATOM 1015 O TRP A 64 -0.697 6.763 -10.761 1.00 15.36 O ATOM 1016 CB TRP A 64 -2.536 5.368 -8.570 1.00 13.45 C ATOM 1017 CG TRP A 64 -3.694 5.452 -7.661 1.00 14.00 C ATOM 1018 CD1 TRP A 64 -4.542 4.513 -7.263 1.00 16.69 C ATOM 1019 CD2 TRP A 64 -4.148 6.668 -6.891 1.00 15.23 C ATOM 1020 NE1 TRP A 64 -5.337 4.963 -6.189 1.00 17.44 N ATOM 1021 CE2 TRP A 64 -5.246 6.347 -6.022 1.00 15.85 C ATOM 1022 CE3 TRP A 64 -3.685 7.999 -6.834 1.00 16.08 C ATOM 1023 CZ2 TRP A 64 -5.906 7.333 -5.278 1.00 17.87 C ATOM 1024 CZ3 TRP A 64 -4.342 8.983 -6.107 1.00 17.34 C ATOM 1025 CH2 TRP A 64 -5.461 8.634 -5.264 1.00 18.86 C ATOM 1026 H TRP A 64 -4.365 4.872 -10.139 1.00 0.00 H ATOM 1027 HA TRP A 64 -2.777 7.275 -9.472 1.00 0.00 H ATOM 1028 HB3 TRP A 64 -1.656 5.468 -7.934 1.00 0.00 H ATOM 1029 HB2 TRP A 64 -2.492 4.333 -8.911 1.00 0.00 H ATOM 1030 HD1 TRP A 64 -4.583 3.503 -7.643 1.00 0.00 H ATOM 1031 HE1 TRP A 64 -6.027 4.444 -5.665 1.00 0.00 H ATOM 1032 HE3 TRP A 64 -2.819 8.071 -7.476 1.00 0.00 H ATOM 1033 HZ2 TRP A 64 -6.763 6.993 -4.715 1.00 0.00 H ATOM 1034 HZ3 TRP A 64 -4.158 10.016 -6.364 1.00 0.00 H ATOM 1035 HH2 TRP A 64 -6.021 9.396 -4.742 1.00 0.00 H ATOM 1036 N CYS A 65 -1.700 4.910 -11.621 1.00 14.31 N ATOM 1037 CA CYS A 65 -0.615 4.773 -12.614 1.00 12.60 C ATOM 1038 C CYS A 65 -1.302 4.494 -14.011 1.00 14.32 C ATOM 1039 O CYS A 65 -2.511 4.384 -14.071 1.00 14.95 O ATOM 1040 CB CYS A 65 0.339 3.589 -12.301 1.00 13.50 C ATOM 1041 SG CYS A 65 -0.444 2.022 -11.907 1.00 14.34 S ATOM 1042 H CYS A 65 -2.577 4.415 -11.695 1.00 0.00 H ATOM 1043 HA CYS A 65 -0.076 5.714 -12.728 1.00 0.00 H ATOM 1044 HB3 CYS A 65 1.079 3.850 -11.544 1.00 0.00 H ATOM 1045 HB2 CYS A 65 1.001 3.382 -13.142 1.00 0.00 H ATOM 1046 N ASN A 66 -0.515 4.453 -15.060 1.00 13.49 N ATOM 1047 CA ASN A 66 -0.985 3.952 -16.307 1.00 12.07 C ATOM 1048 C ASN A 66 -0.061 2.814 -16.753 1.00 13.15 C ATOM 1049 O ASN A 66 1.178 2.958 -16.695 1.00 12.75 O ATOM 1050 CB ASN A 66 -0.987 5.127 -17.319 1.00 15.96 C ATOM 1051 CG ASN A 66 -1.760 4.811 -18.625 1.00 19.44 C ATOM 1052 OD1 ASN A 66 -2.177 3.651 -18.977 1.00 21.93 O ATOM 1053 ND2 ASN A 66 -2.119 5.841 -19.367 1.00 22.57 N ATOM 1054 H ASN A 66 0.487 4.495 -14.939 1.00 0.00 H ATOM 1055 HA ASN A 66 -2.017 3.622 -16.191 1.00 0.00 H ATOM 1056 HB3 ASN A 66 0.088 5.243 -17.460 1.00 0.00 H ATOM 1057 HB2 ASN A 66 -1.379 6.050 -16.894 1.00 0.00 H ATOM 1058 HD22 ASN A 66 -2.638 5.642 -20.211 1.00 0.00 H ATOM 1059 HD21 ASN A 66 -1.880 6.752 -19.005 1.00 0.00 H ATOM 1060 N ASP A 67 -0.731 1.664 -17.136 1.00 12.42 N ATOM 1061 CA ASP A 67 -0.051 0.461 -17.699 1.00 13.42 C ATOM 1062 C ASP A 67 -0.278 0.294 -19.157 1.00 13.40 C ATOM 1063 O ASP A 67 0.151 -0.661 -19.833 1.00 16.86 O ATOM 1064 CB ASP A 67 -0.464 -0.829 -16.878 1.00 12.34 C ATOM 1065 CG ASP A 67 -1.891 -1.415 -17.198 1.00 13.28 C ATOM 1066 OD1 ASP A 67 -2.768 -0.703 -17.696 1.00 14.28 O ATOM 1067 OD2 ASP A 67 -2.075 -2.630 -16.851 1.00 14.87 O1- ATOM 1068 H ASP A 67 -1.729 1.527 -17.213 1.00 0.00 H ATOM 1069 HA ASP A 67 1.011 0.674 -17.575 1.00 0.00 H ATOM 1070 HB3 ASP A 67 -0.296 -0.770 -15.803 1.00 0.00 H ATOM 1071 HB2 ASP A 67 0.255 -1.587 -17.189 1.00 0.00 H ATOM 1072 N GLY A 68 -0.975 1.262 -19.732 1.00 13.31 N ATOM 1073 CA GLY A 68 -1.121 1.368 -21.198 1.00 14.71 C ATOM 1074 C GLY A 68 -2.325 0.642 -21.757 1.00 17.90 C ATOM 1075 O GLY A 68 -2.735 0.747 -22.931 1.00 27.90 O ATOM 1076 H GLY A 68 -1.159 2.085 -19.175 1.00 0.00 H ATOM 1077 HA3 GLY A 68 -0.145 1.195 -21.651 1.00 0.00 H ATOM 1078 HA2 GLY A 68 -1.203 2.428 -21.438 1.00 0.00 H ATOM 1079 N LYS A 69 -3.005 -0.067 -20.877 1.00 18.83 N ATOM 1080 CA LYS A 69 -4.065 -1.011 -21.285 1.00 17.60 C ATOM 1081 C LYS A 69 -5.307 -0.763 -20.443 1.00 18.43 C ATOM 1082 O LYS A 69 -6.380 -0.980 -20.968 1.00 23.74 O ATOM 1083 CB LYS A 69 -3.417 -2.493 -21.267 1.00 20.00 C ATOM 1084 CG LYS A 69 -2.907 -2.993 -19.934 1.00 19.72 C ATOM 1085 CD LYS A 69 -2.792 -4.518 -19.880 1.00 28.11 C ATOM 1086 CE LYS A 69 -2.824 -5.311 -18.557 1.00 40.33 C ATOM 1087 NZ LYS A 69 -1.650 -4.935 -17.701 1.00 48.89 N1+ ATOM 1088 H LYS A 69 -2.588 -0.120 -19.959 1.00 0.00 H ATOM 1089 HA LYS A 69 -4.401 -0.935 -22.319 1.00 0.00 H ATOM 1090 HB3 LYS A 69 -2.682 -2.512 -22.071 1.00 0.00 H ATOM 1091 HB2 LYS A 69 -4.234 -3.118 -21.627 1.00 0.00 H ATOM 1092 HG3 LYS A 69 -3.584 -2.695 -19.134 1.00 0.00 H ATOM 1093 HG2 LYS A 69 -1.931 -2.554 -19.726 1.00 0.00 H ATOM 1094 HD3 LYS A 69 -1.943 -4.709 -20.537 1.00 0.00 H ATOM 1095 HD2 LYS A 69 -3.673 -4.866 -20.420 1.00 0.00 H ATOM 1096 HE3 LYS A 69 -2.778 -6.380 -18.766 1.00 0.00 H ATOM 1097 HE2 LYS A 69 -3.745 -5.304 -17.973 1.00 0.00 H ATOM 1098 HZ1 LYS A 69 -1.716 -5.521 -16.881 1.00 0.00 H ATOM 1099 HZ2 LYS A 69 -0.788 -5.033 -18.218 1.00 0.00 H ATOM 1100 HZ3 LYS A 69 -1.732 -3.967 -17.424 1.00 0.00 H ATOM 1101 N THR A 70 -5.233 -0.328 -19.171 1.00 17.05 N ATOM 1102 CA THR A 70 -6.465 -0.069 -18.403 1.00 18.01 C ATOM 1103 C THR A 70 -7.242 1.160 -18.910 1.00 19.16 C ATOM 1104 O THR A 70 -6.604 2.156 -19.252 1.00 22.32 O ATOM 1105 CB THR A 70 -5.881 0.143 -16.897 1.00 17.38 C ATOM 1106 OG1 THR A 70 -5.136 -0.979 -16.525 1.00 16.08 O ATOM 1107 CG2 THR A 70 -6.935 0.343 -15.833 1.00 18.56 C ATOM 1108 H THR A 70 -4.332 -0.234 -18.725 1.00 0.00 H ATOM 1109 HA THR A 70 -7.013 -1.010 -18.355 1.00 0.00 H ATOM 1110 HB THR A 70 -5.178 0.976 -16.928 1.00 0.00 H ATOM 1111 HG1 THR A 70 -4.354 -0.978 -17.055 1.00 0.00 H ATOM 1112 HG21 THR A 70 -7.788 -0.336 -15.854 1.00 0.00 H ATOM 1113 HG22 THR A 70 -6.514 0.322 -14.828 1.00 0.00 H ATOM 1114 HG23 THR A 70 -7.388 1.304 -16.078 1.00 0.00 H ATOM 1115 N PRO A 71 -8.613 1.161 -18.960 1.00 20.91 N ATOM 1116 CA PRO A 71 -9.392 2.316 -19.351 1.00 23.96 C ATOM 1117 C PRO A 71 -9.714 3.350 -18.319 1.00 23.90 C ATOM 1118 O PRO A 71 -9.779 3.080 -17.131 1.00 25.80 O ATOM 1119 CB PRO A 71 -10.743 1.597 -19.702 1.00 25.33 C ATOM 1120 CG PRO A 71 -10.837 0.512 -18.708 1.00 29.02 C ATOM 1121 CD PRO A 71 -9.422 -0.012 -18.618 1.00 23.02 C ATOM 1122 HA PRO A 71 -8.901 2.745 -20.224 1.00 0.00 H ATOM 1123 HB3 PRO A 71 -10.688 1.130 -20.685 1.00 0.00 H ATOM 1124 HB2 PRO A 71 -11.629 2.232 -19.733 1.00 0.00 H ATOM 1125 HG3 PRO A 71 -11.465 -0.292 -19.091 1.00 0.00 H ATOM 1126 HG2 PRO A 71 -11.338 0.788 -17.780 1.00 0.00 H ATOM 1127 HD2 PRO A 71 -9.223 -0.538 -17.685 1.00 0.00 H ATOM 1128 HD3 PRO A 71 -9.321 -0.736 -19.426 1.00 0.00 H ATOM 1129 N GLY A 72 -9.733 4.648 -18.727 1.00 31.25 N ATOM 1130 CA GLY A 72 -9.944 5.818 -17.822 1.00 31.98 C ATOM 1131 C GLY A 72 -8.705 6.193 -16.987 1.00 28.73 C ATOM 1132 O GLY A 72 -8.756 7.048 -16.136 1.00 39.18 O ATOM 1133 H GLY A 72 -9.297 4.815 -19.623 1.00 0.00 H ATOM 1134 HA3 GLY A 72 -10.668 5.536 -17.057 1.00 0.00 H ATOM 1135 HA2 GLY A 72 -10.256 6.730 -18.331 1.00 0.00 H ATOM 1136 N ALA A 73 -7.546 5.519 -17.335 1.00 25.80 N ATOM 1137 CA ALA A 73 -6.157 5.562 -16.732 1.00 26.10 C ATOM 1138 C ALA A 73 -5.703 7.026 -16.381 1.00 24.83 C ATOM 1139 O ALA A 73 -5.343 7.654 -17.403 1.00 28.55 O ATOM 1140 CB ALA A 73 -5.200 4.780 -17.623 1.00 30.47 C ATOM 1141 H ALA A 73 -7.632 4.887 -18.119 1.00 0.00 H ATOM 1142 HA ALA A 73 -6.296 4.948 -15.842 1.00 0.00 H ATOM 1143 HB1 ALA A 73 -4.220 4.759 -17.145 1.00 0.00 H ATOM 1144 HB2 ALA A 73 -5.523 3.746 -17.742 1.00 0.00 H ATOM 1145 HB3 ALA A 73 -5.079 5.283 -18.582 1.00 0.00 H ATOM 1146 N VAL A 74 -5.865 7.554 -15.230 1.00 25.08 N ATOM 1147 CA VAL A 74 -5.610 8.980 -15.026 1.00 27.99 C ATOM 1148 C VAL A 74 -4.081 9.314 -14.835 1.00 23.91 C ATOM 1149 O VAL A 74 -3.597 10.175 -15.501 1.00 27.27 O ATOM 1150 CB VAL A 74 -6.378 9.472 -13.786 1.00 26.11 C ATOM 1151 CG1 VAL A 74 -6.236 10.874 -13.465 1.00 30.20 C ATOM 1152 CG2 VAL A 74 -7.864 9.137 -13.847 1.00 34.73 C ATOM 1153 H VAL A 74 -6.289 7.082 -14.444 1.00 0.00 H ATOM 1154 HA VAL A 74 -6.023 9.619 -15.807 1.00 0.00 H ATOM 1155 HB VAL A 74 -6.018 8.958 -12.895 1.00 0.00 H ATOM 1156 HG11 VAL A 74 -5.205 11.226 -13.430 1.00 0.00 H ATOM 1157 HG12 VAL A 74 -6.780 11.528 -14.147 1.00 0.00 H ATOM 1158 HG13 VAL A 74 -6.667 11.123 -12.496 1.00 0.00 H ATOM 1159 HG21 VAL A 74 -7.996 8.055 -13.882 1.00 0.00 H ATOM 1160 HG22 VAL A 74 -8.321 9.404 -12.894 1.00 0.00 H ATOM 1161 HG23 VAL A 74 -8.395 9.597 -14.680 1.00 0.00 H ATOM 1162 N ASN A 75 -3.407 8.556 -13.977 1.00 22.30 N ATOM 1163 CA ASN A 75 -2.017 8.465 -13.707 1.00 17.58 C ATOM 1164 C ASN A 75 -1.791 9.641 -12.711 1.00 16.17 C ATOM 1165 O ASN A 75 -0.982 10.489 -13.042 1.00 16.46 O ATOM 1166 CB ASN A 75 -1.148 8.241 -14.965 1.00 17.90 C ATOM 1167 CG ASN A 75 0.247 7.780 -14.705 1.00 18.28 C ATOM 1168 OD1 ASN A 75 0.761 7.770 -13.608 1.00 18.76 O ATOM 1169 ND2 ASN A 75 0.875 7.435 -15.802 1.00 19.69 N ATOM 1170 H ASN A 75 -3.934 7.810 -13.547 1.00 0.00 H ATOM 1171 HA ASN A 75 -1.888 7.559 -13.113 1.00 0.00 H ATOM 1172 HB3 ASN A 75 -1.033 9.207 -15.455 1.00 0.00 H ATOM 1173 HB2 ASN A 75 -1.700 7.545 -15.597 1.00 0.00 H ATOM 1174 HD22 ASN A 75 1.771 6.996 -15.644 1.00 0.00 H ATOM 1175 HD21 ASN A 75 0.502 7.475 -16.740 1.00 0.00 H ATOM 1176 N ALA A 76 -2.353 9.599 -11.502 1.00 15.78 N ATOM 1177 CA ALA A 76 -2.183 10.564 -10.491 1.00 15.84 C ATOM 1178 C ALA A 76 -0.856 10.545 -9.759 1.00 16.60 C ATOM 1179 O ALA A 76 -0.326 11.512 -9.310 1.00 18.71 O ATOM 1180 CB ALA A 76 -3.297 10.596 -9.429 1.00 19.70 C ATOM 1181 H ALA A 76 -3.001 8.828 -11.433 1.00 0.00 H ATOM 1182 HA ALA A 76 -2.203 11.534 -10.988 1.00 0.00 H ATOM 1183 HB1 ALA A 76 -3.155 11.430 -8.742 1.00 0.00 H ATOM 1184 HB2 ALA A 76 -4.278 10.815 -9.850 1.00 0.00 H ATOM 1185 HB3 ALA A 76 -3.383 9.586 -9.030 1.00 0.00 H ATOM 1186 N CYS A 77 -0.099 9.447 -9.894 1.00 15.43 N ATOM 1187 CA CYS A 77 1.253 9.386 -9.358 1.00 15.15 C ATOM 1188 C CYS A 77 2.408 9.770 -10.263 1.00 15.94 C ATOM 1189 O CYS A 77 3.542 9.875 -9.800 1.00 16.72 O ATOM 1190 CB CYS A 77 1.553 7.947 -8.802 1.00 15.14 C ATOM 1191 SG CYS A 77 0.348 7.628 -7.493 1.00 14.34 S ATOM 1192 H CYS A 77 -0.559 8.782 -10.498 1.00 0.00 H ATOM 1193 HA CYS A 77 1.294 10.087 -8.524 1.00 0.00 H ATOM 1194 HB3 CYS A 77 2.517 7.957 -8.295 1.00 0.00 H ATOM 1195 HB2 CYS A 77 1.641 7.238 -9.626 1.00 0.00 H ATOM 1196 N HIS A 78 2.024 9.807 -11.539 1.00 15.99 N ATOM 1197 CA HIS A 78 2.785 10.123 -12.725 1.00 16.71 C ATOM 1198 C HIS A 78 3.887 9.065 -12.950 1.00 17.72 C ATOM 1199 O HIS A 78 5.008 9.374 -13.309 1.00 18.21 O ATOM 1200 CB HIS A 78 3.311 11.553 -12.542 1.00 25.66 C ATOM 1201 CG HIS A 78 2.187 12.550 -12.726 1.00 30.49 C ATOM 1202 ND1 HIS A 78 1.444 12.970 -11.718 1.00 33.57 N ATOM 1203 CD2 HIS A 78 1.803 13.227 -13.856 1.00 31.11 C ATOM 1204 CE1 HIS A 78 0.565 13.825 -12.214 1.00 32.40 C ATOM 1205 NE2 HIS A 78 0.688 14.031 -13.505 1.00 35.66 N ATOM 1206 H HIS A 78 1.112 9.411 -11.712 1.00 0.00 H ATOM 1207 HA HIS A 78 1.973 10.081 -13.452 1.00 0.00 H ATOM 1208 HB3 HIS A 78 3.956 11.715 -13.405 1.00 0.00 H ATOM 1209 HB2 HIS A 78 4.062 11.722 -11.770 1.00 0.00 H ATOM 1210 HD1 HIS A 78 1.408 12.714 -10.742 1.00 0.00 H ATOM 1211 HD2 HIS A 78 2.182 13.206 -14.867 1.00 0.00 H ATOM 1212 HE1 HIS A 78 -0.194 14.271 -11.588 1.00 0.00 H ATOM 1213 N LEU A 79 3.543 7.772 -12.802 1.00 15.10 N ATOM 1214 CA LEU A 79 4.448 6.644 -12.876 1.00 16.14 C ATOM 1215 C LEU A 79 3.901 5.566 -13.780 1.00 14.36 C ATOM 1216 O LEU A 79 2.672 5.485 -14.074 1.00 16.77 O ATOM 1217 CB LEU A 79 4.684 6.090 -11.440 1.00 20.57 C ATOM 1218 CG LEU A 79 5.665 6.993 -10.624 1.00 27.66 C ATOM 1219 CD1 LEU A 79 5.675 6.558 -9.155 1.00 29.20 C ATOM 1220 CD2 LEU A 79 7.108 7.034 -11.244 1.00 32.17 C ATOM 1221 H LEU A 79 2.564 7.545 -12.704 1.00 0.00 H ATOM 1222 HA LEU A 79 5.412 6.904 -13.313 1.00 0.00 H ATOM 1223 HB3 LEU A 79 5.161 5.118 -11.565 1.00 0.00 H ATOM 1224 HB2 LEU A 79 3.791 5.967 -10.826 1.00 0.00 H ATOM 1225 HG LEU A 79 5.319 8.026 -10.585 1.00 0.00 H ATOM 1226 HD11 LEU A 79 6.216 7.341 -8.624 1.00 0.00 H ATOM 1227 HD12 LEU A 79 4.641 6.464 -8.823 1.00 0.00 H ATOM 1228 HD13 LEU A 79 6.079 5.553 -9.032 1.00 0.00 H ATOM 1229 HD21 LEU A 79 7.244 7.609 -12.160 1.00 0.00 H ATOM 1230 HD22 LEU A 79 7.564 7.616 -10.443 1.00 0.00 H ATOM 1231 HD23 LEU A 79 7.528 6.049 -11.448 1.00 0.00 H ATOM 1232 N SER A 80 4.804 4.634 -14.218 1.00 12.78 N ATOM 1233 CA SER A 80 4.555 3.291 -14.617 1.00 13.23 C ATOM 1234 C SER A 80 3.914 2.493 -13.470 1.00 12.09 C ATOM 1235 O SER A 80 4.222 2.716 -12.303 1.00 12.94 O ATOM 1236 CB SER A 80 5.834 2.709 -15.001 1.00 14.70 C ATOM 1237 OG SER A 80 5.663 1.415 -15.539 1.00 14.92 O ATOM 1238 H SER A 80 5.784 4.819 -14.060 1.00 0.00 H ATOM 1239 HA SER A 80 3.933 3.272 -15.512 1.00 0.00 H ATOM 1240 HB3 SER A 80 6.446 2.526 -14.117 1.00 0.00 H ATOM 1241 HB2 SER A 80 6.468 3.315 -15.649 1.00 0.00 H ATOM 1242 HG SER A 80 5.404 1.575 -16.434 1.00 0.00 H ATOM 1243 N CYS A 81 3.118 1.420 -13.745 1.00 12.15 N ATOM 1244 CA CYS A 81 2.696 0.535 -12.692 1.00 11.82 C ATOM 1245 C CYS A 81 3.724 -0.502 -12.336 1.00 11.57 C ATOM 1246 O CYS A 81 3.796 -0.926 -11.184 1.00 13.13 O ATOM 1247 CB CYS A 81 1.506 -0.241 -13.191 1.00 13.14 C ATOM 1248 SG CYS A 81 0.005 0.719 -13.517 1.00 13.20 S ATOM 1249 H CYS A 81 2.815 1.138 -14.666 1.00 0.00 H ATOM 1250 HA CYS A 81 2.383 1.172 -11.864 1.00 0.00 H ATOM 1251 HB3 CYS A 81 1.101 -0.891 -12.414 1.00 0.00 H ATOM 1252 HB2 CYS A 81 1.671 -0.876 -14.061 1.00 0.00 H ATOM 1253 N SER A 82 4.688 -0.818 -13.209 1.00 12.73 N ATOM 1254 CA SER A 82 5.851 -1.693 -13.070 1.00 13.54 C ATOM 1255 C SER A 82 6.879 -1.182 -12.041 1.00 11.95 C ATOM 1256 O SER A 82 7.530 -1.893 -11.309 1.00 13.03 O ATOM 1257 CB SER A 82 6.457 -1.893 -14.450 1.00 17.55 C ATOM 1258 OG SER A 82 7.090 -0.798 -15.068 1.00 18.83 O ATOM 1259 H SER A 82 4.623 -0.562 -14.185 1.00 0.00 H ATOM 1260 HA SER A 82 5.530 -2.631 -12.617 1.00 0.00 H ATOM 1261 HB3 SER A 82 5.649 -2.255 -15.086 1.00 0.00 H ATOM 1262 HB2 SER A 82 7.153 -2.722 -14.321 1.00 0.00 H ATOM 1263 HG SER A 82 6.451 -0.106 -15.146 1.00 0.00 H ATOM 1264 N ALA A 83 6.851 0.130 -11.779 1.00 12.11 N ATOM 1265 CA ALA A 83 7.648 0.816 -10.796 1.00 12.56 C ATOM 1266 C ALA A 83 7.039 0.512 -9.433 1.00 13.55 C ATOM 1267 O ALA A 83 7.813 0.459 -8.453 1.00 15.23 O ATOM 1268 CB ALA A 83 7.619 2.354 -10.858 1.00 15.16 C ATOM 1269 H ALA A 83 6.215 0.638 -12.378 1.00 0.00 H ATOM 1270 HA ALA A 83 8.634 0.357 -10.880 1.00 0.00 H ATOM 1271 HB1 ALA A 83 6.593 2.700 -10.731 1.00 0.00 H ATOM 1272 HB2 ALA A 83 8.256 2.740 -10.063 1.00 0.00 H ATOM 1273 HB3 ALA A 83 8.135 2.665 -11.767 1.00 0.00 H ATOM 1274 N LEU A 84 5.733 0.212 -9.278 1.00 12.54 N ATOM 1275 CA LEU A 84 5.162 -0.167 -8.048 1.00 12.71 C ATOM 1276 C LEU A 84 5.507 -1.634 -7.623 1.00 13.40 C ATOM 1277 O LEU A 84 5.228 -1.924 -6.448 1.00 16.08 O ATOM 1278 CB LEU A 84 3.564 0.059 -8.148 1.00 14.18 C ATOM 1279 CG LEU A 84 3.017 1.358 -8.747 1.00 17.81 C ATOM 1280 CD1 LEU A 84 1.453 1.417 -8.631 1.00 20.67 C ATOM 1281 CD2 LEU A 84 3.568 2.680 -8.150 1.00 21.32 C ATOM 1282 H LEU A 84 5.222 0.220 -10.149 1.00 0.00 H ATOM 1283 HA LEU A 84 5.484 0.522 -7.267 1.00 0.00 H ATOM 1284 HB3 LEU A 84 3.300 0.076 -7.091 1.00 0.00 H ATOM 1285 HB2 LEU A 84 3.122 -0.834 -8.589 1.00 0.00 H ATOM 1286 HG LEU A 84 3.234 1.280 -9.813 1.00 0.00 H ATOM 1287 HD11 LEU A 84 0.916 2.225 -9.126 1.00 0.00 H ATOM 1288 HD12 LEU A 84 1.075 0.429 -8.895 1.00 0.00 H ATOM 1289 HD13 LEU A 84 1.194 1.512 -7.577 1.00 0.00 H ATOM 1290 HD21 LEU A 84 4.607 2.954 -8.334 1.00 0.00 H ATOM 1291 HD22 LEU A 84 2.918 3.487 -8.488 1.00 0.00 H ATOM 1292 HD23 LEU A 84 3.431 2.677 -7.069 1.00 0.00 H ATOM 1293 N LEU A 85 6.048 -2.426 -8.546 1.00 12.93 N ATOM 1294 CA LEU A 85 6.359 -3.854 -8.440 1.00 13.54 C ATOM 1295 C LEU A 85 7.920 -4.017 -8.237 1.00 13.88 C ATOM 1296 O LEU A 85 8.435 -5.134 -8.415 1.00 16.87 O ATOM 1297 CB LEU A 85 5.912 -4.653 -9.726 1.00 13.39 C ATOM 1298 CG LEU A 85 4.419 -4.680 -9.972 1.00 13.51 C ATOM 1299 CD1 LEU A 85 4.338 -5.655 -11.179 1.00 18.29 C ATOM 1300 CD2 LEU A 85 3.679 -5.197 -8.745 1.00 16.82 C ATOM 1301 H LEU A 85 6.153 -2.017 -9.464 1.00 0.00 H ATOM 1302 HA LEU A 85 5.897 -4.270 -7.544 1.00 0.00 H ATOM 1303 HB3 LEU A 85 6.296 -5.672 -9.759 1.00 0.00 H ATOM 1304 HB2 LEU A 85 6.250 -4.272 -10.689 1.00 0.00 H ATOM 1305 HG LEU A 85 4.156 -3.703 -10.377 1.00 0.00 H ATOM 1306 HD11 LEU A 85 3.369 -5.483 -11.647 1.00 0.00 H ATOM 1307 HD12 LEU A 85 5.114 -5.579 -11.941 1.00 0.00 H ATOM 1308 HD13 LEU A 85 4.283 -6.660 -10.760 1.00 0.00 H ATOM 1309 HD21 LEU A 85 3.639 -4.403 -8.000 1.00 0.00 H ATOM 1310 HD22 LEU A 85 2.651 -5.534 -8.877 1.00 0.00 H ATOM 1311 HD23 LEU A 85 4.268 -5.945 -8.215 1.00 0.00 H ATOM 1312 N GLN A 86 8.562 -2.992 -7.763 1.00 14.21 N ATOM 1313 CA GLN A 86 10.021 -2.961 -7.382 1.00 14.01 C ATOM 1314 C GLN A 86 10.229 -3.363 -5.924 1.00 14.22 C ATOM 1315 O GLN A 86 9.374 -3.140 -5.093 1.00 16.42 O ATOM 1316 CB GLN A 86 10.417 -1.533 -7.509 1.00 15.40 C ATOM 1317 CG GLN A 86 10.768 -1.171 -9.047 1.00 18.36 C ATOM 1318 CD GLN A 86 11.018 0.310 -9.237 1.00 22.98 C ATOM 1319 OE1 GLN A 86 11.417 0.792 -10.306 1.00 25.88 O ATOM 1320 NE2 GLN A 86 10.791 1.147 -8.205 1.00 27.04 N ATOM 1321 H GLN A 86 8.011 -2.178 -7.528 1.00 0.00 H ATOM 1322 HA GLN A 86 10.561 -3.515 -8.150 1.00 0.00 H ATOM 1323 HB3 GLN A 86 11.435 -1.465 -7.123 1.00 0.00 H ATOM 1324 HB2 GLN A 86 9.750 -0.866 -6.964 1.00 0.00 H ATOM 1325 HG3 GLN A 86 9.957 -1.412 -9.733 1.00 0.00 H ATOM 1326 HG2 GLN A 86 11.683 -1.661 -9.381 1.00 0.00 H ATOM 1327 HE22 GLN A 86 10.817 2.143 -8.368 1.00 0.00 H ATOM 1328 HE21 GLN A 86 10.269 0.777 -7.423 1.00 0.00 H ATOM 1329 N ASP A 87 11.402 -3.809 -5.522 1.00 13.89 N ATOM 1330 CA ASP A 87 11.836 -4.142 -4.150 1.00 14.61 C ATOM 1331 C ASP A 87 12.554 -2.995 -3.559 1.00 16.13 C ATOM 1332 O ASP A 87 12.566 -2.925 -2.311 1.00 20.65 O ATOM 1333 CB ASP A 87 12.876 -5.312 -4.101 1.00 15.52 C ATOM 1334 CG ASP A 87 12.345 -6.555 -4.813 1.00 15.85 C ATOM 1335 OD1 ASP A 87 11.104 -6.817 -4.777 1.00 18.46 O ATOM 1336 OD2 ASP A 87 13.246 -7.365 -5.171 1.00 18.72 O1- ATOM 1337 H ASP A 87 12.116 -3.745 -6.233 1.00 0.00 H ATOM 1338 HA ASP A 87 10.974 -4.373 -3.524 1.00 0.00 H ATOM 1339 HB3 ASP A 87 13.048 -5.581 -3.058 1.00 0.00 H ATOM 1340 HB2 ASP A 87 13.793 -5.008 -4.606 1.00 0.00 H ATOM 1341 N ASN A 88 13.039 -2.080 -4.358 1.00 15.81 N ATOM 1342 CA ASN A 88 13.254 -0.744 -3.757 1.00 17.79 C ATOM 1343 C ASN A 88 11.863 -0.113 -3.719 1.00 16.08 C ATOM 1344 O ASN A 88 11.330 0.081 -4.793 1.00 19.07 O ATOM 1345 CB ASN A 88 14.168 0.229 -4.606 1.00 20.11 C ATOM 1346 CG ASN A 88 14.636 1.449 -3.862 1.00 22.92 C ATOM 1347 OD1 ASN A 88 13.885 2.388 -3.692 1.00 26.75 O ATOM 1348 ND2 ASN A 88 15.813 1.417 -3.256 1.00 44.22 N ATOM 1349 H ASN A 88 12.917 -2.109 -5.360 1.00 0.00 H ATOM 1350 HA ASN A 88 13.464 -0.754 -2.687 1.00 0.00 H ATOM 1351 HB3 ASN A 88 13.680 0.626 -5.496 1.00 0.00 H ATOM 1352 HB2 ASN A 88 14.987 -0.348 -5.038 1.00 0.00 H ATOM 1353 HD22 ASN A 88 16.118 2.275 -2.818 1.00 0.00 H ATOM 1354 HD21 ASN A 88 16.388 0.586 -3.269 1.00 0.00 H ATOM 1355 N ILE A 89 11.205 0.131 -2.553 1.00 12.57 N ATOM 1356 CA ILE A 89 9.775 0.530 -2.635 1.00 12.70 C ATOM 1357 C ILE A 89 9.525 2.002 -2.668 1.00 11.43 C ATOM 1358 O ILE A 89 8.379 2.342 -2.646 1.00 12.56 O ATOM 1359 CB ILE A 89 9.013 -0.231 -1.474 1.00 12.99 C ATOM 1360 CG1 ILE A 89 9.297 0.277 -0.097 1.00 14.29 C ATOM 1361 CG2 ILE A 89 9.193 -1.797 -1.711 1.00 16.72 C ATOM 1362 CD1 ILE A 89 8.310 -0.195 1.030 1.00 17.23 C ATOM 1363 H ILE A 89 11.530 -0.320 -1.709 1.00 0.00 H ATOM 1364 HA ILE A 89 9.255 0.119 -3.500 1.00 0.00 H ATOM 1365 HB ILE A 89 7.958 -0.100 -1.712 1.00 0.00 H ATOM 1366 HG13 ILE A 89 9.418 1.361 -0.102 1.00 0.00 H ATOM 1367 HG12 ILE A 89 10.250 -0.062 0.310 1.00 0.00 H ATOM 1368 HG21 ILE A 89 8.399 -2.312 -1.170 1.00 0.00 H ATOM 1369 HG22 ILE A 89 9.120 -2.005 -2.778 1.00 0.00 H ATOM 1370 HG23 ILE A 89 10.151 -2.154 -1.333 1.00 0.00 H ATOM 1371 HD11 ILE A 89 8.108 -1.266 1.054 1.00 0.00 H ATOM 1372 HD12 ILE A 89 8.718 0.186 1.966 1.00 0.00 H ATOM 1373 HD13 ILE A 89 7.290 0.184 0.975 1.00 0.00 H ATOM 1374 N ALA A 90 10.529 2.874 -2.492 1.00 12.52 N ATOM 1375 CA ALA A 90 10.486 4.347 -2.375 1.00 11.88 C ATOM 1376 C ALA A 90 9.689 5.007 -3.554 1.00 12.16 C ATOM 1377 O ALA A 90 9.102 6.013 -3.218 1.00 12.58 O ATOM 1378 CB ALA A 90 11.914 4.915 -2.301 1.00 16.43 C ATOM 1379 H ALA A 90 11.381 2.396 -2.235 1.00 0.00 H ATOM 1380 HA ALA A 90 10.030 4.540 -1.404 1.00 0.00 H ATOM 1381 HB1 ALA A 90 12.474 4.665 -3.203 1.00 0.00 H ATOM 1382 HB2 ALA A 90 11.903 5.981 -2.074 1.00 0.00 H ATOM 1383 HB3 ALA A 90 12.466 4.481 -1.467 1.00 0.00 H ATOM 1384 N ASP A 91 9.570 4.424 -4.740 1.00 12.34 N ATOM 1385 CA ASP A 91 8.651 4.871 -5.836 1.00 13.06 C ATOM 1386 C ASP A 91 7.192 4.411 -5.550 1.00 13.27 C ATOM 1387 O ASP A 91 6.223 5.136 -5.796 1.00 14.41 O ATOM 1388 CB ASP A 91 8.989 4.358 -7.262 1.00 16.70 C ATOM 1389 CG ASP A 91 10.228 4.933 -7.844 1.00 21.64 C ATOM 1390 OD1 ASP A 91 10.704 5.989 -7.393 1.00 25.67 O ATOM 1391 OD2 ASP A 91 10.786 4.216 -8.654 1.00 30.98 O1- ATOM 1392 H ASP A 91 10.119 3.592 -4.902 1.00 0.00 H ATOM 1393 HA ASP A 91 8.450 5.936 -5.946 1.00 0.00 H ATOM 1394 HB3 ASP A 91 8.256 4.747 -7.969 1.00 0.00 H ATOM 1395 HB2 ASP A 91 9.035 3.270 -7.227 1.00 0.00 H ATOM 1396 N ALA A 92 6.964 3.169 -5.012 1.00 12.68 N ATOM 1397 CA ALA A 92 5.663 2.627 -4.713 1.00 12.92 C ATOM 1398 C ALA A 92 5.136 3.189 -3.454 1.00 11.99 C ATOM 1399 O ALA A 92 3.914 3.421 -3.349 1.00 13.19 O ATOM 1400 CB ALA A 92 5.716 1.124 -4.454 1.00 14.28 C ATOM 1401 H ALA A 92 7.817 2.743 -4.680 1.00 0.00 H ATOM 1402 HA ALA A 92 5.071 2.935 -5.575 1.00 0.00 H ATOM 1403 HB1 ALA A 92 6.069 0.848 -3.460 1.00 0.00 H ATOM 1404 HB2 ALA A 92 4.710 0.738 -4.615 1.00 0.00 H ATOM 1405 HB3 ALA A 92 6.265 0.559 -5.206 1.00 0.00 H ATOM 1406 N VAL A 93 6.071 3.611 -2.548 1.00 11.60 N ATOM 1407 CA VAL A 93 5.703 4.329 -1.283 1.00 11.58 C ATOM 1408 C VAL A 93 5.488 5.847 -1.647 1.00 10.95 C ATOM 1409 O VAL A 93 4.611 6.488 -1.132 1.00 12.78 O ATOM 1410 CB VAL A 93 6.660 4.071 -0.194 1.00 12.54 C ATOM 1411 CG1 VAL A 93 6.304 4.913 1.034 1.00 15.10 C ATOM 1412 CG2 VAL A 93 6.612 2.619 0.289 1.00 14.14 C ATOM 1413 H VAL A 93 7.018 3.304 -2.716 1.00 0.00 H ATOM 1414 HA VAL A 93 4.790 3.888 -0.885 1.00 0.00 H ATOM 1415 HB VAL A 93 7.693 4.374 -0.365 1.00 0.00 H ATOM 1416 HG11 VAL A 93 6.464 5.987 0.940 1.00 0.00 H ATOM 1417 HG12 VAL A 93 5.270 4.793 1.359 1.00 0.00 H ATOM 1418 HG13 VAL A 93 6.814 4.647 1.959 1.00 0.00 H ATOM 1419 HG21 VAL A 93 6.838 1.996 -0.576 1.00 0.00 H ATOM 1420 HG22 VAL A 93 7.336 2.384 1.069 1.00 0.00 H ATOM 1421 HG23 VAL A 93 5.645 2.299 0.678 1.00 0.00 H ATOM 1422 N ALA A 94 6.183 6.420 -2.654 1.00 11.32 N ATOM 1423 CA ALA A 94 5.962 7.855 -3.022 1.00 14.03 C ATOM 1424 C ALA A 94 4.626 8.074 -3.735 1.00 11.77 C ATOM 1425 O ALA A 94 3.999 9.198 -3.734 1.00 13.70 O ATOM 1426 CB ALA A 94 7.148 8.385 -3.859 1.00 15.14 C ATOM 1427 H ALA A 94 6.927 5.906 -3.104 1.00 0.00 H ATOM 1428 HA ALA A 94 5.843 8.408 -2.091 1.00 0.00 H ATOM 1429 HB1 ALA A 94 7.300 7.762 -4.740 1.00 0.00 H ATOM 1430 HB2 ALA A 94 6.893 9.360 -4.274 1.00 0.00 H ATOM 1431 HB3 ALA A 94 8.090 8.445 -3.315 1.00 0.00 H ATOM 1432 N CYS A 95 4.010 6.997 -4.299 1.00 11.92 N ATOM 1433 CA CYS A 95 2.625 7.034 -4.781 1.00 11.46 C ATOM 1434 C CYS A 95 1.599 6.702 -3.659 1.00 10.97 C ATOM 1435 O CYS A 95 0.486 7.157 -3.722 1.00 12.53 O ATOM 1436 CB CYS A 95 2.512 5.921 -5.838 1.00 12.67 C ATOM 1437 SG CYS A 95 1.008 5.850 -6.901 1.00 13.56 S ATOM 1438 H CYS A 95 4.531 6.133 -4.332 1.00 0.00 H ATOM 1439 HA CYS A 95 2.350 7.958 -5.289 1.00 0.00 H ATOM 1440 HB3 CYS A 95 2.728 5.003 -5.291 1.00 0.00 H ATOM 1441 HB2 CYS A 95 3.358 6.058 -6.512 1.00 0.00 H ATOM 1442 N ALA A 96 2.099 6.004 -2.638 1.00 10.42 N ATOM 1443 CA ALA A 96 1.319 5.616 -1.464 1.00 11.09 C ATOM 1444 C ALA A 96 0.974 6.849 -0.584 1.00 11.76 C ATOM 1445 O ALA A 96 -0.177 7.136 -0.157 1.00 13.14 O ATOM 1446 CB ALA A 96 2.065 4.573 -0.575 1.00 13.08 C ATOM 1447 H ALA A 96 3.089 5.810 -2.594 1.00 0.00 H ATOM 1448 HA ALA A 96 0.401 5.267 -1.938 1.00 0.00 H ATOM 1449 HB1 ALA A 96 1.348 4.175 0.142 1.00 0.00 H ATOM 1450 HB2 ALA A 96 2.570 3.838 -1.203 1.00 0.00 H ATOM 1451 HB3 ALA A 96 2.871 5.018 0.008 1.00 0.00 H ATOM 1452 N LYS A 97 1.930 7.717 -0.523 1.00 11.55 N ATOM 1453 CA LYS A 97 1.835 9.083 0.025 1.00 11.67 C ATOM 1454 C LYS A 97 0.811 10.003 -0.766 1.00 11.49 C ATOM 1455 O LYS A 97 0.116 10.800 -0.127 1.00 14.28 O ATOM 1456 CB LYS A 97 3.245 9.698 0.033 1.00 12.72 C ATOM 1457 CG LYS A 97 4.187 9.129 1.086 1.00 12.67 C ATOM 1458 CD LYS A 97 5.594 9.750 0.961 1.00 13.88 C ATOM 1459 CE LYS A 97 6.577 9.267 1.969 1.00 14.34 C ATOM 1460 NZ LYS A 97 7.790 10.070 2.063 1.00 16.93 N1+ ATOM 1461 H LYS A 97 2.860 7.496 -0.848 1.00 0.00 H ATOM 1462 HA LYS A 97 1.422 9.071 1.034 1.00 0.00 H ATOM 1463 HB3 LYS A 97 3.251 10.780 0.163 1.00 0.00 H ATOM 1464 HB2 LYS A 97 3.738 9.582 -0.933 1.00 0.00 H ATOM 1465 HG3 LYS A 97 4.326 8.059 0.932 1.00 0.00 H ATOM 1466 HG2 LYS A 97 3.793 9.377 2.072 1.00 0.00 H ATOM 1467 HD3 LYS A 97 5.546 10.826 1.130 1.00 0.00 H ATOM 1468 HD2 LYS A 97 5.939 9.709 -0.072 1.00 0.00 H ATOM 1469 HE3 LYS A 97 6.789 8.239 1.674 1.00 0.00 H ATOM 1470 HE2 LYS A 97 6.199 9.353 2.988 1.00 0.00 H ATOM 1471 HZ1 LYS A 97 8.576 9.627 2.519 1.00 0.00 H ATOM 1472 HZ2 LYS A 97 8.269 10.214 1.186 1.00 0.00 H ATOM 1473 HZ3 LYS A 97 7.584 10.966 2.481 1.00 0.00 H ATOM 1474 N ARG A 98 0.904 10.032 -2.121 1.00 12.01 N ATOM 1475 CA ARG A 98 -0.000 10.610 -3.080 1.00 12.87 C ATOM 1476 C ARG A 98 -1.479 10.265 -2.797 1.00 12.26 C ATOM 1477 O ARG A 98 -2.332 11.127 -3.068 1.00 14.55 O ATOM 1478 CB ARG A 98 0.480 10.299 -4.541 1.00 13.46 C ATOM 1479 CG ARG A 98 -0.459 10.869 -5.676 1.00 14.92 C ATOM 1480 CD ARG A 98 -0.624 12.345 -5.640 1.00 17.52 C ATOM 1481 NE ARG A 98 -1.571 12.811 -6.603 1.00 17.98 N ATOM 1482 CZ ARG A 98 -2.941 12.870 -6.402 1.00 18.76 C ATOM 1483 NH1 ARG A 98 -3.501 12.425 -5.283 1.00 21.63 N ATOM 1484 NH2 ARG A 98 -3.733 13.484 -7.344 1.00 21.98 N1+ ATOM 1485 H ARG A 98 1.814 9.721 -2.430 1.00 0.00 H ATOM 1486 HA ARG A 98 0.089 11.676 -2.871 1.00 0.00 H ATOM 1487 HB3 ARG A 98 0.395 9.225 -4.708 1.00 0.00 H ATOM 1488 HB2 ARG A 98 1.456 10.736 -4.754 1.00 0.00 H ATOM 1489 HG3 ARG A 98 -1.403 10.324 -5.693 1.00 0.00 H ATOM 1490 HG2 ARG A 98 0.062 10.706 -6.620 1.00 0.00 H ATOM 1491 HD3 ARG A 98 0.326 12.847 -5.824 1.00 0.00 H ATOM 1492 HD2 ARG A 98 -0.946 12.662 -4.648 1.00 0.00 H ATOM 1493 HE ARG A 98 -1.227 13.340 -7.391 1.00 0.00 H ATOM 1494 HH12 ARG A 98 -4.441 12.590 -4.954 1.00 0.00 H ATOM 1495 HH11 ARG A 98 -2.889 12.105 -4.546 1.00 0.00 H ATOM 1496 HH22 ARG A 98 -4.734 13.454 -7.210 1.00 0.00 H ATOM 1497 HH21 ARG A 98 -3.323 14.062 -8.065 1.00 0.00 H ATOM 1498 N VAL A 99 -1.848 8.979 -2.576 1.00 11.86 N ATOM 1499 CA VAL A 99 -3.186 8.453 -2.299 1.00 12.33 C ATOM 1500 C VAL A 99 -3.724 9.150 -1.057 1.00 12.78 C ATOM 1501 O VAL A 99 -4.754 9.745 -1.204 1.00 14.35 O ATOM 1502 CB VAL A 99 -3.180 6.896 -2.118 1.00 12.64 C ATOM 1503 CG1 VAL A 99 -4.619 6.348 -1.894 1.00 14.52 C ATOM 1504 CG2 VAL A 99 -2.546 6.051 -3.206 1.00 14.42 C ATOM 1505 H VAL A 99 -1.059 8.351 -2.631 1.00 0.00 H ATOM 1506 HA VAL A 99 -3.821 8.745 -3.135 1.00 0.00 H ATOM 1507 HB VAL A 99 -2.695 6.735 -1.155 1.00 0.00 H ATOM 1508 HG11 VAL A 99 -5.246 6.553 -2.761 1.00 0.00 H ATOM 1509 HG12 VAL A 99 -4.392 5.341 -1.542 1.00 0.00 H ATOM 1510 HG13 VAL A 99 -5.043 6.926 -1.072 1.00 0.00 H ATOM 1511 HG21 VAL A 99 -2.789 4.988 -3.194 1.00 0.00 H ATOM 1512 HG22 VAL A 99 -2.902 6.354 -4.190 1.00 0.00 H ATOM 1513 HG23 VAL A 99 -1.456 6.017 -3.212 1.00 0.00 H ATOM 1514 N VAL A 100 -3.029 9.167 0.092 1.00 13.05 N ATOM 1515 CA VAL A 100 -3.642 9.760 1.249 1.00 12.65 C ATOM 1516 C VAL A 100 -3.645 11.284 1.424 1.00 14.23 C ATOM 1517 O VAL A 100 -4.281 11.698 2.397 1.00 17.68 O ATOM 1518 CB VAL A 100 -3.013 9.140 2.521 1.00 12.79 C ATOM 1519 CG1 VAL A 100 -3.269 7.602 2.553 1.00 14.07 C ATOM 1520 CG2 VAL A 100 -1.521 9.386 2.671 1.00 14.57 C ATOM 1521 H VAL A 100 -2.229 8.596 0.327 1.00 0.00 H ATOM 1522 HA VAL A 100 -4.691 9.477 1.330 1.00 0.00 H ATOM 1523 HB VAL A 100 -3.519 9.572 3.384 1.00 0.00 H ATOM 1524 HG11 VAL A 100 -3.142 7.132 3.528 1.00 0.00 H ATOM 1525 HG12 VAL A 100 -4.335 7.392 2.463 1.00 0.00 H ATOM 1526 HG13 VAL A 100 -2.783 6.935 1.842 1.00 0.00 H ATOM 1527 HG21 VAL A 100 -1.153 9.205 3.681 1.00 0.00 H ATOM 1528 HG22 VAL A 100 -0.887 8.882 1.942 1.00 0.00 H ATOM 1529 HG23 VAL A 100 -1.340 10.436 2.439 1.00 0.00 H ATOM 1530 N ARG A 101 -2.997 12.023 0.529 1.00 15.12 N ATOM 1531 CA ARG A 101 -3.191 13.467 0.408 1.00 17.78 C ATOM 1532 C ARG A 101 -4.459 13.830 -0.296 1.00 20.08 C ATOM 1533 O ARG A 101 -4.930 14.943 -0.116 1.00 23.74 O ATOM 1534 CB ARG A 101 -2.109 14.120 -0.535 1.00 18.42 C ATOM 1535 CG ARG A 101 -0.763 14.040 0.138 1.00 18.87 C ATOM 1536 CD ARG A 101 0.280 15.068 -0.348 1.00 18.67 C ATOM 1537 NE ARG A 101 0.457 14.933 -1.769 1.00 20.24 N ATOM 1538 CZ ARG A 101 1.420 14.145 -2.390 1.00 16.31 C ATOM 1539 NH1 ARG A 101 2.132 13.318 -1.670 1.00 19.85 N ATOM 1540 NH2 ARG A 101 1.702 14.263 -3.665 1.00 21.13 N1+ ATOM 1541 H ARG A 101 -2.371 11.656 -0.173 1.00 0.00 H ATOM 1542 HA ARG A 101 -3.192 14.066 1.318 1.00 0.00 H ATOM 1543 HB3 ARG A 101 -2.359 15.151 -0.783 1.00 0.00 H ATOM 1544 HB2 ARG A 101 -2.111 13.571 -1.477 1.00 0.00 H ATOM 1545 HG3 ARG A 101 -0.431 13.015 -0.026 1.00 0.00 H ATOM 1546 HG2 ARG A 101 -0.841 14.202 1.213 1.00 0.00 H ATOM 1547 HD3 ARG A 101 1.193 14.946 0.235 1.00 0.00 H ATOM 1548 HD2 ARG A 101 -0.044 16.070 -0.066 1.00 0.00 H ATOM 1549 HE ARG A 101 -0.320 15.400 -2.213 1.00 0.00 H ATOM 1550 HH12 ARG A 101 2.848 12.687 -2.003 1.00 0.00 H ATOM 1551 HH11 ARG A 101 2.051 13.380 -0.666 1.00 0.00 H ATOM 1552 HH22 ARG A 101 2.520 13.851 -4.091 1.00 0.00 H ATOM 1553 HH21 ARG A 101 1.117 14.747 -4.331 1.00 0.00 H ATOM 1554 N ASP A 102 -5.117 12.920 -1.031 1.00 17.13 N ATOM 1555 CA ASP A 102 -6.516 13.103 -1.330 1.00 18.60 C ATOM 1556 C ASP A 102 -7.412 12.664 -0.089 1.00 18.33 C ATOM 1557 O ASP A 102 -6.858 11.919 0.733 1.00 17.88 O ATOM 1558 CB ASP A 102 -6.869 12.170 -2.456 1.00 25.63 C ATOM 1559 CG ASP A 102 -6.827 12.802 -3.901 1.00 29.45 C ATOM 1560 OD1 ASP A 102 -5.740 13.306 -4.233 1.00 31.08 O ATOM 1561 OD2 ASP A 102 -7.872 12.992 -4.501 1.00 39.39 O1- ATOM 1562 H ASP A 102 -4.683 12.033 -1.245 1.00 0.00 H ATOM 1563 HA ASP A 102 -6.712 14.134 -1.626 1.00 0.00 H ATOM 1564 HB3 ASP A 102 -7.856 11.760 -2.245 1.00 0.00 H ATOM 1565 HB2 ASP A 102 -6.287 11.249 -2.484 1.00 0.00 H ATOM 1566 N PRO A 103 -8.662 13.207 0.044 1.00 21.13 N ATOM 1567 CA PRO A 103 -9.542 13.321 1.265 1.00 24.39 C ATOM 1568 C PRO A 103 -10.001 11.965 1.962 1.00 20.09 C ATOM 1569 O PRO A 103 -10.324 11.960 3.153 1.00 18.73 O ATOM 1570 CB PRO A 103 -10.829 14.073 0.888 1.00 27.01 C ATOM 1571 CG PRO A 103 -10.750 14.333 -0.546 1.00 27.24 C ATOM 1572 CD PRO A 103 -9.365 13.944 -1.010 1.00 23.20 C ATOM 1573 HA PRO A 103 -9.053 13.966 1.995 1.00 0.00 H ATOM 1574 HB3 PRO A 103 -10.923 14.931 1.554 1.00 0.00 H ATOM 1575 HB2 PRO A 103 -11.677 13.399 1.015 1.00 0.00 H ATOM 1576 HG3 PRO A 103 -10.883 15.370 -0.855 1.00 0.00 H ATOM 1577 HG2 PRO A 103 -11.492 13.808 -1.147 1.00 0.00 H ATOM 1578 HD2 PRO A 103 -9.248 13.624 -2.045 1.00 0.00 H ATOM 1579 HD3 PRO A 103 -8.803 14.876 -1.081 1.00 0.00 H ATOM 1580 N GLN A 104 -10.082 10.945 1.138 1.00 18.34 N ATOM 1581 CA GLN A 104 -10.440 9.578 1.611 1.00 21.23 C ATOM 1582 C GLN A 104 -9.466 9.033 2.665 1.00 17.94 C ATOM 1583 O GLN A 104 -9.806 8.726 3.790 1.00 18.00 O ATOM 1584 CB GLN A 104 -10.586 8.631 0.352 1.00 24.12 C ATOM 1585 CG GLN A 104 -11.420 7.404 0.693 1.00 47.13 C ATOM 1586 CD GLN A 104 -11.845 6.572 -0.512 1.00 47.32 C ATOM 1587 OE1 GLN A 104 -12.658 5.671 -0.304 1.00 60.39 O ATOM 1588 NE2 GLN A 104 -11.424 6.827 -1.780 1.00 62.61 N ATOM 1589 H GLN A 104 -9.706 11.106 0.215 1.00 0.00 H ATOM 1590 HA GLN A 104 -11.328 9.701 2.231 1.00 0.00 H ATOM 1591 HB3 GLN A 104 -9.621 8.324 -0.051 1.00 0.00 H ATOM 1592 HB2 GLN A 104 -11.065 9.126 -0.493 1.00 0.00 H ATOM 1593 HG3 GLN A 104 -12.382 7.623 1.157 1.00 0.00 H ATOM 1594 HG2 GLN A 104 -10.821 6.887 1.442 1.00 0.00 H ATOM 1595 HE22 GLN A 104 -11.822 6.171 -2.437 1.00 0.00 H ATOM 1596 HE21 GLN A 104 -10.700 7.522 -1.892 1.00 0.00 H ATOM 1597 N GLY A 105 -8.192 8.961 2.283 1.00 16.59 N ATOM 1598 CA GLY A 105 -7.079 8.601 3.093 1.00 17.91 C ATOM 1599 C GLY A 105 -7.002 7.054 3.056 1.00 15.90 C ATOM 1600 O GLY A 105 -7.411 6.426 2.065 1.00 17.09 O ATOM 1601 H GLY A 105 -7.806 9.108 1.361 1.00 0.00 H ATOM 1602 HA3 GLY A 105 -6.994 9.120 4.048 1.00 0.00 H ATOM 1603 HA2 GLY A 105 -6.162 9.044 2.702 1.00 0.00 H ATOM 1604 N ILE A 106 -6.411 6.366 4.039 1.00 15.81 N ATOM 1605 CA ILE A 106 -6.268 4.925 4.027 1.00 17.11 C ATOM 1606 C ILE A 106 -7.573 4.073 3.917 1.00 15.80 C ATOM 1607 O ILE A 106 -7.534 2.937 3.597 1.00 16.82 O ATOM 1608 CB ILE A 106 -5.447 4.617 5.294 1.00 17.55 C ATOM 1609 CG1 ILE A 106 -5.023 3.187 5.479 1.00 19.14 C ATOM 1610 CG2 ILE A 106 -6.147 5.217 6.565 1.00 21.03 C ATOM 1611 CD1 ILE A 106 -3.719 2.955 6.286 1.00 17.90 C ATOM 1612 H ILE A 106 -6.083 6.793 4.893 1.00 0.00 H ATOM 1613 HA ILE A 106 -5.683 4.618 3.160 1.00 0.00 H ATOM 1614 HB ILE A 106 -4.519 5.149 5.081 1.00 0.00 H ATOM 1615 HG13 ILE A 106 -4.810 2.746 4.506 1.00 0.00 H ATOM 1616 HG12 ILE A 106 -5.840 2.633 5.942 1.00 0.00 H ATOM 1617 HG21 ILE A 106 -5.435 5.211 7.390 1.00 0.00 H ATOM 1618 HG22 ILE A 106 -6.578 6.218 6.591 1.00 0.00 H ATOM 1619 HG23 ILE A 106 -6.910 4.483 6.825 1.00 0.00 H ATOM 1620 HD11 ILE A 106 -3.476 1.895 6.214 1.00 0.00 H ATOM 1621 HD12 ILE A 106 -2.923 3.637 5.986 1.00 0.00 H ATOM 1622 HD13 ILE A 106 -3.983 3.261 7.298 1.00 0.00 H ATOM 1623 N ARG A 107 -8.755 4.701 4.086 1.00 16.58 N ATOM 1624 CA ARG A 107 -10.116 4.148 3.829 1.00 17.13 C ATOM 1625 C ARG A 107 -10.362 3.906 2.326 1.00 20.36 C ATOM 1626 O ARG A 107 -11.372 3.324 1.929 1.00 21.86 O ATOM 1627 CB ARG A 107 -11.127 5.217 4.290 1.00 18.94 C ATOM 1628 CG ARG A 107 -11.214 5.420 5.832 1.00 23.89 C ATOM 1629 CD ARG A 107 -11.876 6.740 6.361 1.00 39.98 C ATOM 1630 NE ARG A 107 -11.257 7.116 7.604 1.00 47.72 N ATOM 1631 CZ ARG A 107 -10.086 7.808 7.652 1.00 67.00 C ATOM 1632 NH1 ARG A 107 -9.384 8.316 6.604 1.00 74.07 N ATOM 1633 NH2 ARG A 107 -9.629 8.126 8.894 1.00 64.71 N1+ ATOM 1634 H ARG A 107 -8.628 5.674 4.324 1.00 0.00 H ATOM 1635 HA ARG A 107 -10.376 3.262 4.408 1.00 0.00 H ATOM 1636 HB3 ARG A 107 -12.076 4.849 3.901 1.00 0.00 H ATOM 1637 HB2 ARG A 107 -11.005 6.179 3.792 1.00 0.00 H ATOM 1638 HG3 ARG A 107 -10.192 5.324 6.199 1.00 0.00 H ATOM 1639 HG2 ARG A 107 -11.771 4.556 6.195 1.00 0.00 H ATOM 1640 HD3 ARG A 107 -12.962 6.675 6.418 1.00 0.00 H ATOM 1641 HD2 ARG A 107 -11.613 7.549 5.680 1.00 0.00 H ATOM 1642 HE ARG A 107 -11.690 6.682 8.407 1.00 0.00 H ATOM 1643 HH12 ARG A 107 -8.550 8.825 6.860 1.00 0.00 H ATOM 1644 HH11 ARG A 107 -9.676 8.249 5.639 1.00 0.00 H ATOM 1645 HH22 ARG A 107 -9.067 8.912 9.190 1.00 0.00 H ATOM 1646 HH21 ARG A 107 -10.004 7.601 9.671 1.00 0.00 H ATOM 1647 N ALA A 108 -9.422 4.388 1.467 1.00 18.54 N ATOM 1648 CA ALA A 108 -9.356 4.153 0.020 1.00 21.58 C ATOM 1649 C ALA A 108 -8.984 2.703 -0.374 1.00 18.41 C ATOM 1650 O ALA A 108 -8.949 2.338 -1.535 1.00 24.26 O ATOM 1651 CB ALA A 108 -8.359 5.123 -0.544 1.00 25.52 C ATOM 1652 H ALA A 108 -8.717 5.040 1.778 1.00 0.00 H ATOM 1653 HA ALA A 108 -10.346 4.297 -0.412 1.00 0.00 H ATOM 1654 HB1 ALA A 108 -8.495 5.072 -1.624 1.00 0.00 H ATOM 1655 HB2 ALA A 108 -8.456 6.182 -0.303 1.00 0.00 H ATOM 1656 HB3 ALA A 108 -7.415 4.796 -0.109 1.00 0.00 H ATOM 1657 N TRP A 109 -8.875 1.785 0.616 1.00 16.15 N ATOM 1658 CA TRP A 109 -8.781 0.385 0.356 1.00 16.79 C ATOM 1659 C TRP A 109 -9.842 -0.263 1.278 1.00 15.57 C ATOM 1660 O TRP A 109 -9.937 0.190 2.413 1.00 17.44 O ATOM 1661 CB TRP A 109 -7.437 -0.122 0.840 1.00 14.21 C ATOM 1662 CG TRP A 109 -6.357 0.310 -0.151 1.00 14.22 C ATOM 1663 CD1 TRP A 109 -6.126 -0.411 -1.228 1.00 17.01 C ATOM 1664 CD2 TRP A 109 -5.363 1.373 -0.065 1.00 13.07 C ATOM 1665 NE1 TRP A 109 -5.032 0.141 -1.873 1.00 16.16 N ATOM 1666 CE2 TRP A 109 -4.473 1.197 -1.153 1.00 14.95 C ATOM 1667 CE3 TRP A 109 -5.037 2.424 0.830 1.00 14.74 C ATOM 1668 CZ2 TRP A 109 -3.259 1.861 -1.335 1.00 16.94 C ATOM 1669 CZ3 TRP A 109 -3.793 3.124 0.675 1.00 14.74 C ATOM 1670 CH2 TRP A 109 -2.883 2.838 -0.394 1.00 16.52 C ATOM 1671 H TRP A 109 -8.919 2.139 1.561 1.00 0.00 H ATOM 1672 HA TRP A 109 -8.982 0.089 -0.674 1.00 0.00 H ATOM 1673 HB3 TRP A 109 -7.438 -1.204 0.977 1.00 0.00 H ATOM 1674 HB2 TRP A 109 -7.154 0.282 1.812 1.00 0.00 H ATOM 1675 HD1 TRP A 109 -6.643 -1.305 -1.544 1.00 0.00 H ATOM 1676 HE1 TRP A 109 -4.673 -0.256 -2.730 1.00 0.00 H ATOM 1677 HE3 TRP A 109 -5.789 2.664 1.568 1.00 0.00 H ATOM 1678 HZ2 TRP A 109 -2.629 1.643 -2.185 1.00 0.00 H ATOM 1679 HZ3 TRP A 109 -3.624 3.947 1.354 1.00 0.00 H ATOM 1680 HH2 TRP A 109 -2.018 3.442 -0.625 1.00 0.00 H ATOM 1681 N VAL A 110 -10.683 -1.202 0.874 1.00 18.17 N ATOM 1682 CA VAL A 110 -11.690 -1.821 1.765 1.00 20.77 C ATOM 1683 C VAL A 110 -11.075 -2.876 2.735 1.00 18.43 C ATOM 1684 O VAL A 110 -11.650 -3.050 3.799 1.00 20.67 O ATOM 1685 CB VAL A 110 -12.674 -2.573 0.825 1.00 28.20 C ATOM 1686 CG1 VAL A 110 -13.665 -1.594 0.337 1.00 32.48 C ATOM 1687 CG2 VAL A 110 -12.035 -3.293 -0.448 1.00 32.96 C ATOM 1688 H VAL A 110 -10.631 -1.406 -0.114 1.00 0.00 H ATOM 1689 HA VAL A 110 -12.273 -1.132 2.376 1.00 0.00 H ATOM 1690 HB VAL A 110 -13.256 -3.290 1.404 1.00 0.00 H ATOM 1691 HG11 VAL A 110 -14.075 -1.013 1.163 1.00 0.00 H ATOM 1692 HG12 VAL A 110 -13.285 -0.904 -0.416 1.00 0.00 H ATOM 1693 HG13 VAL A 110 -14.533 -2.035 -0.153 1.00 0.00 H ATOM 1694 HG21 VAL A 110 -12.785 -4.011 -0.780 1.00 0.00 H ATOM 1695 HG22 VAL A 110 -11.789 -2.708 -1.335 1.00 0.00 H ATOM 1696 HG23 VAL A 110 -11.200 -3.943 -0.188 1.00 0.00 H ATOM 1697 N ALA A 111 -9.866 -3.362 2.438 1.00 18.39 N ATOM 1698 CA ALA A 111 -9.130 -4.243 3.276 1.00 20.08 C ATOM 1699 C ALA A 111 -8.867 -3.617 4.631 1.00 17.47 C ATOM 1700 O ALA A 111 -9.262 -4.211 5.642 1.00 19.35 O ATOM 1701 CB ALA A 111 -7.800 -4.625 2.529 1.00 21.74 C ATOM 1702 H ALA A 111 -9.526 -2.997 1.559 1.00 0.00 H ATOM 1703 HA ALA A 111 -9.761 -5.097 3.523 1.00 0.00 H ATOM 1704 HB1 ALA A 111 -7.349 -3.747 2.066 1.00 0.00 H ATOM 1705 HB2 ALA A 111 -7.081 -5.116 3.184 1.00 0.00 H ATOM 1706 HB3 ALA A 111 -7.901 -5.285 1.667 1.00 0.00 H ATOM 1707 N TRP A 112 -8.328 -2.391 4.679 1.00 16.39 N ATOM 1708 CA TRP A 112 -8.045 -1.711 5.953 1.00 14.27 C ATOM 1709 C TRP A 112 -9.260 -1.429 6.774 1.00 14.94 C ATOM 1710 O TRP A 112 -9.297 -1.590 7.992 1.00 14.58 O ATOM 1711 CB TRP A 112 -7.433 -0.336 5.549 1.00 14.56 C ATOM 1712 CG TRP A 112 -7.079 0.485 6.781 1.00 15.83 C ATOM 1713 CD1 TRP A 112 -5.937 0.296 7.457 1.00 15.71 C ATOM 1714 CD2 TRP A 112 -7.771 1.591 7.449 1.00 15.54 C ATOM 1715 NE1 TRP A 112 -6.085 0.969 8.696 1.00 15.81 N ATOM 1716 CE2 TRP A 112 -7.194 1.840 8.706 1.00 16.34 C ATOM 1717 CE3 TRP A 112 -8.879 2.389 7.083 1.00 16.24 C ATOM 1718 CZ2 TRP A 112 -7.670 2.795 9.591 1.00 19.60 C ATOM 1719 CZ3 TRP A 112 -9.395 3.271 8.032 1.00 19.22 C ATOM 1720 CH2 TRP A 112 -8.843 3.495 9.275 1.00 21.44 C ATOM 1721 H TRP A 112 -7.857 -2.011 3.870 1.00 0.00 H ATOM 1722 HA TRP A 112 -7.444 -2.438 6.499 1.00 0.00 H ATOM 1723 HB3 TRP A 112 -8.173 0.238 4.991 1.00 0.00 H ATOM 1724 HB2 TRP A 112 -6.527 -0.429 4.950 1.00 0.00 H ATOM 1725 HD1 TRP A 112 -5.223 -0.453 7.147 1.00 0.00 H ATOM 1726 HE1 TRP A 112 -5.511 0.825 9.514 1.00 0.00 H ATOM 1727 HE3 TRP A 112 -9.362 2.194 6.137 1.00 0.00 H ATOM 1728 HZ2 TRP A 112 -7.196 2.978 10.544 1.00 0.00 H ATOM 1729 HZ3 TRP A 112 -10.310 3.769 7.750 1.00 0.00 H ATOM 1730 HH2 TRP A 112 -9.207 4.198 10.010 1.00 0.00 H ATOM 1731 N ARG A 113 -10.381 -1.167 6.059 1.00 15.14 N ATOM 1732 CA ARG A 113 -11.657 -0.853 6.710 1.00 16.43 C ATOM 1733 C ARG A 113 -12.262 -2.132 7.317 1.00 17.09 C ATOM 1734 O ARG A 113 -13.009 -2.001 8.321 1.00 18.84 O ATOM 1735 CB ARG A 113 -12.794 -0.418 5.790 1.00 19.05 C ATOM 1736 CG ARG A 113 -12.565 0.671 4.748 1.00 21.06 C ATOM 1737 CD ARG A 113 -13.860 0.842 3.904 1.00 31.33 C ATOM 1738 NE ARG A 113 -13.601 1.623 2.680 1.00 32.96 N ATOM 1739 CZ ARG A 113 -14.452 1.857 1.730 1.00 39.44 C ATOM 1740 NH1 ARG A 113 -15.702 1.379 1.761 1.00 48.10 N ATOM 1741 NH2 ARG A 113 -14.076 2.551 0.626 1.00 49.31 N1+ ATOM 1742 H ARG A 113 -10.358 -1.302 5.059 1.00 0.00 H ATOM 1743 HA ARG A 113 -11.500 -0.070 7.453 1.00 0.00 H ATOM 1744 HB3 ARG A 113 -13.533 -0.063 6.508 1.00 0.00 H ATOM 1745 HB2 ARG A 113 -13.199 -1.231 5.187 1.00 0.00 H ATOM 1746 HG3 ARG A 113 -11.713 0.429 4.113 1.00 0.00 H ATOM 1747 HG2 ARG A 113 -12.124 1.593 5.129 1.00 0.00 H ATOM 1748 HD3 ARG A 113 -14.672 1.270 4.492 1.00 0.00 H ATOM 1749 HD2 ARG A 113 -14.131 -0.179 3.635 1.00 0.00 H ATOM 1750 HE ARG A 113 -12.699 2.055 2.537 1.00 0.00 H ATOM 1751 HH12 ARG A 113 -16.407 1.464 1.042 1.00 0.00 H ATOM 1752 HH11 ARG A 113 -16.007 0.820 2.544 1.00 0.00 H ATOM 1753 HH22 ARG A 113 -14.783 2.752 -0.068 1.00 0.00 H ATOM 1754 HH21 ARG A 113 -13.185 3.020 0.548 1.00 0.00 H ATOM 1755 N ASN A 114 -11.979 -3.354 6.823 1.00 15.91 N ATOM 1756 CA ASN A 114 -12.480 -4.614 7.464 1.00 17.99 C ATOM 1757 C ASN A 114 -11.534 -5.184 8.503 1.00 15.89 C ATOM 1758 O ASN A 114 -12.038 -5.724 9.488 1.00 20.21 O ATOM 1759 CB ASN A 114 -12.774 -5.673 6.358 1.00 22.77 C ATOM 1760 CG ASN A 114 -13.995 -5.341 5.552 1.00 26.98 C ATOM 1761 OD1 ASN A 114 -15.125 -5.637 6.013 1.00 28.93 O ATOM 1762 ND2 ASN A 114 -13.936 -4.591 4.451 1.00 33.78 N ATOM 1763 H ASN A 114 -11.265 -3.517 6.127 1.00 0.00 H ATOM 1764 HA ASN A 114 -13.431 -4.470 7.977 1.00 0.00 H ATOM 1765 HB3 ASN A 114 -12.909 -6.682 6.748 1.00 0.00 H ATOM 1766 HB2 ASN A 114 -11.945 -5.862 5.675 1.00 0.00 H ATOM 1767 HD22 ASN A 114 -14.793 -4.469 3.931 1.00 0.00 H ATOM 1768 HD21 ASN A 114 -13.113 -4.049 4.231 1.00 0.00 H ATOM 1769 N ARG A 115 -10.217 -5.074 8.262 1.00 16.64 N ATOM 1770 CA ARG A 115 -9.201 -5.835 8.872 1.00 17.38 C ATOM 1771 C ARG A 115 -8.455 -5.123 9.964 1.00 17.46 C ATOM 1772 O ARG A 115 -8.171 -5.641 11.017 1.00 20.36 O ATOM 1773 CB ARG A 115 -8.225 -6.469 7.816 1.00 18.38 C ATOM 1774 CG ARG A 115 -8.911 -7.316 6.654 1.00 24.94 C ATOM 1775 CD ARG A 115 -9.249 -8.781 7.119 1.00 30.28 C ATOM 1776 NE ARG A 115 -9.965 -9.474 6.071 1.00 32.22 N ATOM 1777 CZ ARG A 115 -10.309 -10.739 5.920 1.00 32.89 C ATOM 1778 NH1 ARG A 115 -10.017 -11.511 6.962 1.00 35.05 N ATOM 1779 NH2 ARG A 115 -10.799 -11.256 4.807 1.00 36.35 N1+ ATOM 1780 H ARG A 115 -9.961 -4.576 7.421 1.00 0.00 H ATOM 1781 HA ARG A 115 -9.731 -6.570 9.478 1.00 0.00 H ATOM 1782 HB3 ARG A 115 -7.529 -7.078 8.394 1.00 0.00 H ATOM 1783 HB2 ARG A 115 -7.571 -5.761 7.307 1.00 0.00 H ATOM 1784 HG3 ARG A 115 -8.287 -7.396 5.764 1.00 0.00 H ATOM 1785 HG2 ARG A 115 -9.808 -6.856 6.240 1.00 0.00 H ATOM 1786 HD3 ARG A 115 -9.993 -8.826 7.914 1.00 0.00 H ATOM 1787 HD2 ARG A 115 -8.322 -9.341 7.242 1.00 0.00 H ATOM 1788 HE ARG A 115 -10.282 -8.823 5.366 1.00 0.00 H ATOM 1789 HH12 ARG A 115 -9.970 -12.508 6.803 1.00 0.00 H ATOM 1790 HH11 ARG A 115 -9.794 -11.074 7.844 1.00 0.00 H ATOM 1791 HH22 ARG A 115 -11.120 -12.211 4.728 1.00 0.00 H ATOM 1792 HH21 ARG A 115 -10.882 -10.779 3.921 1.00 0.00 H ATOM 1793 N CYS A 116 -8.162 -3.830 9.679 1.00 15.08 N ATOM 1794 CA CYS A 116 -7.316 -3.007 10.526 1.00 14.67 C ATOM 1795 C CYS A 116 -8.090 -1.901 11.275 1.00 16.40 C ATOM 1796 O CYS A 116 -7.697 -1.576 12.402 1.00 18.54 O ATOM 1797 CB CYS A 116 -6.276 -2.326 9.707 1.00 14.17 C ATOM 1798 SG CYS A 116 -5.393 -3.375 8.498 1.00 14.27 S ATOM 1799 H CYS A 116 -8.379 -3.521 8.742 1.00 0.00 H ATOM 1800 HA CYS A 116 -6.729 -3.655 11.176 1.00 0.00 H ATOM 1801 HB3 CYS A 116 -5.514 -1.832 10.310 1.00 0.00 H ATOM 1802 HB2 CYS A 116 -6.669 -1.611 8.984 1.00 0.00 H ATOM 1803 N GLN A 117 -9.204 -1.364 10.722 1.00 16.23 N ATOM 1804 CA GLN A 117 -10.010 -0.321 11.411 1.00 18.20 C ATOM 1805 C GLN A 117 -10.762 -0.872 12.618 1.00 20.42 C ATOM 1806 O GLN A 117 -11.311 -2.029 12.474 1.00 20.59 O ATOM 1807 CB GLN A 117 -11.150 0.128 10.448 1.00 19.87 C ATOM 1808 CG GLN A 117 -11.851 1.406 10.969 1.00 23.21 C ATOM 1809 CD GLN A 117 -13.168 1.702 10.140 1.00 24.24 C ATOM 1810 OE1 GLN A 117 -13.631 2.849 10.097 1.00 33.47 O ATOM 1811 NE2 GLN A 117 -13.716 0.748 9.455 1.00 37.16 N ATOM 1812 H GLN A 117 -9.478 -1.587 9.776 1.00 0.00 H ATOM 1813 HA GLN A 117 -9.359 0.540 11.560 1.00 0.00 H ATOM 1814 HB3 GLN A 117 -11.835 -0.701 10.274 1.00 0.00 H ATOM 1815 HB2 GLN A 117 -10.581 0.356 9.546 1.00 0.00 H ATOM 1816 HG3 GLN A 117 -11.169 2.256 10.930 1.00 0.00 H ATOM 1817 HG2 GLN A 117 -12.330 1.174 11.920 1.00 0.00 H ATOM 1818 HE22 GLN A 117 -14.484 0.876 8.811 1.00 0.00 H ATOM 1819 HE21 GLN A 117 -13.218 -0.126 9.364 1.00 0.00 H ATOM 1820 N ASN A 118 -10.849 -0.129 13.722 1.00 23.71 N ATOM 1821 CA ASN A 118 -11.647 -0.498 14.863 1.00 28.55 C ATOM 1822 C ASN A 118 -10.935 -1.533 15.770 1.00 27.64 C ATOM 1823 O ASN A 118 -11.589 -2.124 16.566 1.00 33.21 O ATOM 1824 CB ASN A 118 -13.169 -0.669 14.638 1.00 34.02 C ATOM 1825 CG ASN A 118 -14.014 -0.149 15.840 1.00 36.99 C ATOM 1826 OD1 ASN A 118 -14.353 1.022 15.825 1.00 41.09 O ATOM 1827 ND2 ASN A 118 -14.384 -0.976 16.786 1.00 45.69 N ATOM 1828 H ASN A 118 -10.181 0.627 13.754 1.00 0.00 H ATOM 1829 HA ASN A 118 -11.523 0.473 15.343 1.00 0.00 H ATOM 1830 HB3 ASN A 118 -13.374 -1.716 14.413 1.00 0.00 H ATOM 1831 HB2 ASN A 118 -13.472 -0.044 13.798 1.00 0.00 H ATOM 1832 HD22 ASN A 118 -14.977 -0.732 17.566 1.00 0.00 H ATOM 1833 HD21 ASN A 118 -14.134 -1.944 16.641 1.00 0.00 H ATOM 1834 N ARG A 119 -9.643 -1.744 15.559 1.00 26.95 N ATOM 1835 CA ARG A 119 -8.881 -2.882 15.991 1.00 29.41 C ATOM 1836 C ARG A 119 -7.531 -2.502 16.470 1.00 27.46 C ATOM 1837 O ARG A 119 -6.924 -1.683 15.803 1.00 28.03 O ATOM 1838 CB ARG A 119 -8.914 -4.035 14.917 1.00 27.29 C ATOM 1839 CG ARG A 119 -10.305 -4.687 14.674 1.00 29.07 C ATOM 1840 CD ARG A 119 -10.407 -5.359 13.343 1.00 33.27 C ATOM 1841 NE ARG A 119 -11.839 -5.797 13.111 1.00 34.40 N ATOM 1842 CZ ARG A 119 -12.272 -7.060 13.269 1.00 33.71 C ATOM 1843 NH1 ARG A 119 -11.460 -8.092 13.581 1.00 39.46 N ATOM 1844 NH2 ARG A 119 -13.583 -7.313 13.047 1.00 32.31 N1+ ATOM 1845 H ARG A 119 -9.182 -1.111 14.922 1.00 0.00 H ATOM 1846 HA ARG A 119 -9.541 -3.440 16.655 1.00 0.00 H ATOM 1847 HB3 ARG A 119 -8.184 -4.842 14.984 1.00 0.00 H ATOM 1848 HB2 ARG A 119 -8.530 -3.584 14.002 1.00 0.00 H ATOM 1849 HG3 ARG A 119 -11.102 -3.944 14.658 1.00 0.00 H ATOM 1850 HG2 ARG A 119 -10.475 -5.408 15.473 1.00 0.00 H ATOM 1851 HD3 ARG A 119 -9.759 -6.221 13.188 1.00 0.00 H ATOM 1852 HD2 ARG A 119 -10.074 -4.682 12.557 1.00 0.00 H ATOM 1853 HE ARG A 119 -12.530 -5.071 13.231 1.00 0.00 H ATOM 1854 HH12 ARG A 119 -11.677 -9.075 13.508 1.00 0.00 H ATOM 1855 HH11 ARG A 119 -10.590 -7.940 14.072 1.00 0.00 H ATOM 1856 HH22 ARG A 119 -13.905 -8.257 13.207 1.00 0.00 H ATOM 1857 HH21 ARG A 119 -14.223 -6.624 12.677 1.00 0.00 H ATOM 1858 N ASP A 120 -7.026 -3.138 17.527 1.00 30.41 N ATOM 1859 CA ASP A 120 -5.652 -2.957 18.097 1.00 27.35 C ATOM 1860 C ASP A 120 -4.710 -3.638 17.099 1.00 25.50 C ATOM 1861 O ASP A 120 -4.981 -4.813 16.748 1.00 30.21 O ATOM 1862 CB ASP A 120 -5.570 -3.358 19.505 1.00 31.42 C ATOM 1863 CG ASP A 120 -4.164 -3.679 20.067 1.00 38.14 C ATOM 1864 OD1 ASP A 120 -3.759 -4.823 20.051 1.00 41.12 O ATOM 1865 OD2 ASP A 120 -3.483 -2.765 20.520 1.00 34.42 O1- ATOM 1866 H ASP A 120 -7.597 -3.871 17.922 1.00 0.00 H ATOM 1867 HA ASP A 120 -5.570 -1.870 18.076 1.00 0.00 H ATOM 1868 HB3 ASP A 120 -6.034 -4.329 19.679 1.00 0.00 H ATOM 1869 HB2 ASP A 120 -6.100 -2.663 20.157 1.00 0.00 H ATOM 1870 N VAL A 121 -3.641 -3.045 16.528 1.00 22.52 N ATOM 1871 CA VAL A 121 -2.867 -3.545 15.336 1.00 21.13 C ATOM 1872 C VAL A 121 -1.349 -3.397 15.581 1.00 22.32 C ATOM 1873 O VAL A 121 -0.545 -3.493 14.618 1.00 18.74 O ATOM 1874 CB VAL A 121 -3.403 -2.886 14.043 1.00 22.58 C ATOM 1875 CG1 VAL A 121 -4.808 -3.477 13.764 1.00 30.69 C ATOM 1876 CG2 VAL A 121 -3.484 -1.351 14.054 1.00 25.84 C ATOM 1877 H VAL A 121 -3.359 -2.119 16.818 1.00 0.00 H ATOM 1878 HA VAL A 121 -2.898 -4.635 15.357 1.00 0.00 H ATOM 1879 HB VAL A 121 -2.762 -3.119 13.193 1.00 0.00 H ATOM 1880 HG11 VAL A 121 -4.715 -4.554 13.904 1.00 0.00 H ATOM 1881 HG12 VAL A 121 -5.642 -3.123 14.372 1.00 0.00 H ATOM 1882 HG13 VAL A 121 -5.051 -3.397 12.705 1.00 0.00 H ATOM 1883 HG21 VAL A 121 -3.475 -0.877 13.072 1.00 0.00 H ATOM 1884 HG22 VAL A 121 -4.408 -0.979 14.498 1.00 0.00 H ATOM 1885 HG23 VAL A 121 -2.724 -0.861 14.663 1.00 0.00 H ATOM 1886 N ARG A 122 -0.966 -3.385 16.842 1.00 27.46 N ATOM 1887 CA ARG A 122 0.381 -3.216 17.352 1.00 27.65 C ATOM 1888 C ARG A 122 1.294 -4.401 17.100 1.00 24.97 C ATOM 1889 O ARG A 122 2.547 -4.347 16.930 1.00 25.46 O ATOM 1890 CB ARG A 122 0.314 -2.780 18.790 1.00 29.85 C ATOM 1891 CG ARG A 122 1.683 -2.280 19.439 1.00 34.26 C ATOM 1892 CD ARG A 122 1.467 -1.721 20.863 1.00 33.83 C ATOM 1893 NE ARG A 122 0.027 -1.702 21.258 1.00 37.37 N ATOM 1894 CZ ARG A 122 -0.760 -0.731 21.497 1.00 37.41 C ATOM 1895 NH1 ARG A 122 -0.325 0.476 21.472 1.00 44.26 N ATOM 1896 NH2 ARG A 122 -2.081 -0.976 21.702 1.00 43.88 N1+ ATOM 1897 H ARG A 122 -1.725 -3.255 17.496 1.00 0.00 H ATOM 1898 HA ARG A 122 0.807 -2.436 16.722 1.00 0.00 H ATOM 1899 HB3 ARG A 122 -0.104 -3.588 19.389 1.00 0.00 H ATOM 1900 HB2 ARG A 122 -0.425 -1.980 18.751 1.00 0.00 H ATOM 1901 HG3 ARG A 122 2.118 -1.529 18.779 1.00 0.00 H ATOM 1902 HG2 ARG A 122 2.414 -3.087 19.412 1.00 0.00 H ATOM 1903 HD3 ARG A 122 1.873 -0.709 20.876 1.00 0.00 H ATOM 1904 HD2 ARG A 122 2.120 -2.296 21.519 1.00 0.00 H ATOM 1905 HE ARG A 122 -0.381 -2.591 21.513 1.00 0.00 H ATOM 1906 HH12 ARG A 122 -1.009 1.192 21.673 1.00 0.00 H ATOM 1907 HH11 ARG A 122 0.660 0.578 21.670 1.00 0.00 H ATOM 1908 HH22 ARG A 122 -2.798 -0.298 21.918 1.00 0.00 H ATOM 1909 HH21 ARG A 122 -2.460 -1.851 21.369 1.00 0.00 H ATOM 1910 N GLN A 123 0.679 -5.597 16.841 1.00 26.01 N ATOM 1911 CA GLN A 123 1.259 -6.856 16.479 1.00 28.19 C ATOM 1912 C GLN A 123 2.092 -6.915 15.207 1.00 24.96 C ATOM 1913 O GLN A 123 3.074 -7.670 15.131 1.00 26.43 O ATOM 1914 CB GLN A 123 0.220 -7.923 16.438 1.00 33.36 C ATOM 1915 CG GLN A 123 -1.004 -7.673 15.459 1.00 45.52 C ATOM 1916 CD GLN A 123 -1.943 -8.792 15.391 1.00 48.33 C ATOM 1917 OE1 GLN A 123 -2.874 -8.725 14.566 1.00 50.12 O ATOM 1918 NE2 GLN A 123 -1.718 -9.882 16.153 1.00 61.45 N ATOM 1919 H GLN A 123 -0.322 -5.536 16.964 1.00 0.00 H ATOM 1920 HA GLN A 123 1.822 -7.157 17.362 1.00 0.00 H ATOM 1921 HB3 GLN A 123 -0.109 -8.181 17.445 1.00 0.00 H ATOM 1922 HB2 GLN A 123 0.660 -8.820 16.002 1.00 0.00 H ATOM 1923 HG3 GLN A 123 -0.648 -7.563 14.434 1.00 0.00 H ATOM 1924 HG2 GLN A 123 -1.581 -6.795 15.747 1.00 0.00 H ATOM 1925 HE22 GLN A 123 -2.513 -10.492 16.279 1.00 0.00 H ATOM 1926 HE21 GLN A 123 -1.069 -9.936 16.925 1.00 0.00 H ATOM 1927 N TYR A 124 1.794 -6.002 14.272 1.00 21.23 N ATOM 1928 CA TYR A 124 2.609 -5.807 13.048 1.00 20.57 C ATOM 1929 C TYR A 124 3.733 -4.770 13.285 1.00 17.27 C ATOM 1930 O TYR A 124 4.369 -4.349 12.299 1.00 19.70 O ATOM 1931 CB TYR A 124 1.671 -5.289 11.973 1.00 20.32 C ATOM 1932 CG TYR A 124 0.494 -6.208 11.747 1.00 17.15 C ATOM 1933 CD1 TYR A 124 0.704 -7.463 11.096 1.00 23.75 C ATOM 1934 CD2 TYR A 124 -0.857 -5.906 12.060 1.00 19.77 C ATOM 1935 CE1 TYR A 124 -0.392 -8.310 10.653 1.00 24.75 C ATOM 1936 CE2 TYR A 124 -1.908 -6.832 11.862 1.00 21.05 C ATOM 1937 CZ TYR A 124 -1.703 -7.898 11.011 1.00 20.92 C ATOM 1938 OH TYR A 124 -2.786 -8.671 10.685 1.00 25.52 O ATOM 1939 H TYR A 124 1.091 -5.289 14.401 1.00 0.00 H ATOM 1940 HA TYR A 124 3.073 -6.737 12.718 1.00 0.00 H ATOM 1941 HB3 TYR A 124 2.260 -5.319 11.056 1.00 0.00 H ATOM 1942 HB2 TYR A 124 1.270 -4.276 11.988 1.00 0.00 H ATOM 1943 HD1 TYR A 124 1.706 -7.819 10.906 1.00 0.00 H ATOM 1944 HD2 TYR A 124 -1.090 -4.986 12.576 1.00 0.00 H ATOM 1945 HE1 TYR A 124 -0.098 -9.193 10.105 1.00 0.00 H ATOM 1946 HE2 TYR A 124 -2.940 -6.686 12.148 1.00 0.00 H ATOM 1947 HH TYR A 124 -2.543 -9.509 10.321 1.00 0.00 H ATOM 1948 N VAL A 125 4.042 -4.326 14.468 1.00 19.87 N ATOM 1949 CA VAL A 125 5.028 -3.295 14.713 1.00 19.04 C ATOM 1950 C VAL A 125 5.816 -3.442 16.065 1.00 21.10 C ATOM 1951 O VAL A 125 6.854 -2.800 16.198 1.00 21.37 O ATOM 1952 CB VAL A 125 4.474 -1.939 14.472 1.00 21.60 C ATOM 1953 CG1 VAL A 125 4.489 -1.506 12.994 1.00 23.75 C ATOM 1954 CG2 VAL A 125 3.163 -1.620 15.158 1.00 24.99 C ATOM 1955 H VAL A 125 3.596 -4.851 15.206 1.00 0.00 H ATOM 1956 HA VAL A 125 5.812 -3.487 13.980 1.00 0.00 H ATOM 1957 HB VAL A 125 5.193 -1.227 14.877 1.00 0.00 H ATOM 1958 HG11 VAL A 125 4.379 -0.421 12.977 1.00 0.00 H ATOM 1959 HG12 VAL A 125 5.436 -1.731 12.504 1.00 0.00 H ATOM 1960 HG13 VAL A 125 3.676 -1.960 12.427 1.00 0.00 H ATOM 1961 HG21 VAL A 125 2.980 -0.568 14.937 1.00 0.00 H ATOM 1962 HG22 VAL A 125 2.282 -2.146 14.790 1.00 0.00 H ATOM 1963 HG23 VAL A 125 3.341 -1.870 16.204 1.00 0.00 H ATOM 1964 N GLN A 126 5.435 -4.170 17.091 1.00 23.38 N ATOM 1965 CA GLN A 126 5.996 -4.538 18.392 1.00 29.06 C ATOM 1966 C GLN A 126 7.423 -5.177 18.334 1.00 27.13 C ATOM 1967 O GLN A 126 7.540 -6.311 17.883 1.00 27.14 O ATOM 1968 CB GLN A 126 4.916 -5.227 19.343 1.00 31.28 C ATOM 1969 CG GLN A 126 4.175 -6.549 18.845 1.00 33.72 C ATOM 1970 CD GLN A 126 4.790 -7.904 19.077 1.00 47.22 C ATOM 1971 OE1 GLN A 126 4.295 -8.942 18.632 1.00 45.69 O ATOM 1972 NE2 GLN A 126 5.825 -8.043 19.913 1.00 49.55 N ATOM 1973 H GLN A 126 4.486 -4.454 16.895 1.00 0.00 H ATOM 1974 HA GLN A 126 6.106 -3.508 18.732 1.00 0.00 H ATOM 1975 HB3 GLN A 126 4.168 -4.511 19.684 1.00 0.00 H ATOM 1976 HB2 GLN A 126 5.498 -5.407 20.247 1.00 0.00 H ATOM 1977 HG3 GLN A 126 3.899 -6.546 17.791 1.00 0.00 H ATOM 1978 HG2 GLN A 126 3.242 -6.521 19.408 1.00 0.00 H ATOM 1979 HE22 GLN A 126 6.095 -9.002 20.078 1.00 0.00 H ATOM 1980 HE21 GLN A 126 6.487 -7.325 20.172 1.00 0.00 H ATOM 1981 N GLY A 127 8.417 -4.504 18.870 1.00 25.06 N ATOM 1982 CA GLY A 127 9.724 -5.170 19.003 1.00 25.33 C ATOM 1983 C GLY A 127 10.593 -5.075 17.753 1.00 23.89 C ATOM 1984 O GLY A 127 11.703 -5.602 17.602 1.00 25.63 O ATOM 1985 H GLY A 127 8.212 -3.566 19.183 1.00 0.00 H ATOM 1986 HA3 GLY A 127 9.708 -6.209 19.334 1.00 0.00 H ATOM 1987 HA2 GLY A 127 10.376 -4.596 19.662 1.00 0.00 H ATOM 1988 N CYS A 128 10.014 -4.547 16.695 1.00 20.90 N ATOM 1989 CA CYS A 128 10.565 -4.024 15.464 1.00 20.37 C ATOM 1990 C CYS A 128 11.473 -2.781 15.704 1.00 21.95 C ATOM 1991 O CYS A 128 12.525 -2.609 15.086 1.00 24.45 O ATOM 1992 CB CYS A 128 9.500 -3.802 14.436 1.00 18.95 C ATOM 1993 SG CYS A 128 8.430 -5.165 13.998 1.00 17.57 S ATOM 1994 H CYS A 128 9.006 -4.485 16.677 1.00 0.00 H ATOM 1995 HA CYS A 128 11.191 -4.804 15.029 1.00 0.00 H ATOM 1996 HB3 CYS A 128 10.111 -3.469 13.597 1.00 0.00 H ATOM 1997 HB2 CYS A 128 9.020 -2.912 14.844 1.00 0.00 H ATOM 1998 N GLY A 129 11.168 -1.850 16.721 1.00 27.29 N ATOM 1999 CA GLY A 129 11.943 -0.634 16.948 1.00 29.29 C ATOM 2000 C GLY A 129 11.488 0.403 15.879 1.00 28.62 C ATOM 2001 O GLY A 129 12.397 0.680 15.046 1.00 38.50 O ATOM 2002 H GLY A 129 10.378 -2.031 17.323 1.00 0.00 H ATOM 2003 HA3 GLY A 129 13.016 -0.790 16.841 1.00 0.00 H ATOM 2004 HA2 GLY A 129 11.777 -0.263 17.959 1.00 0.00 H ATOM 2005 N VAL A 130 10.261 0.865 15.966 1.00 24.90 N ATOM 2006 CA VAL A 130 9.722 1.793 15.043 1.00 25.27 C ATOM 2007 C VAL A 130 8.878 2.882 15.759 1.00 33.46 C ATOM 2008 O VAL A 130 8.525 3.829 15.068 1.00 31.44 O ATOM 2009 CB VAL A 130 8.942 1.095 13.819 1.00 25.35 C ATOM 2010 CG1 VAL A 130 9.795 0.056 13.068 1.00 27.59 C ATOM 2011 CG2 VAL A 130 7.682 0.307 14.412 1.00 26.59 C ATOM 2012 OXT VAL A 130 8.630 2.667 16.957 1.00 47.97 O1- ATOM 2013 H VAL A 130 9.694 0.601 16.760 1.00 0.00 H ATOM 2014 HA VAL A 130 10.537 2.391 14.636 1.00 0.00 H ATOM 2015 HB VAL A 130 8.479 1.767 13.097 1.00 0.00 H ATOM 2016 HG11 VAL A 130 10.096 -0.798 13.675 1.00 0.00 H ATOM 2017 HG12 VAL A 130 9.218 -0.300 12.214 1.00 0.00 H ATOM 2018 HG13 VAL A 130 10.666 0.577 12.671 1.00 0.00 H ATOM 2019 HG21 VAL A 130 6.899 1.027 14.648 1.00 0.00 H ATOM 2020 HG22 VAL A 130 7.269 -0.469 13.768 1.00 0.00 H ATOM 2021 HG23 VAL A 130 7.910 -0.367 15.238 1.00 0.00 H TER 2022 VAL A 130 CONECT 105 1993 CONECT 490 1798 CONECT 1041 1248 CONECT 1191 1437 CONECT 1248 1041 CONECT 1437 1191 CONECT 1798 490 CONECT 1993 105 END If you find results from this site helpful for your research, please cite one of our papers:
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