USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 633 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 ASN : amide:sc= 0.858 K(o=2.1,f=-9.8!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 32 TYR OH : rot -21:sc= 0.629 USER MOD Set 2.2: A 73 SER OG : rot 75:sc= 0.756 USER MOD Single : A 7 ASN : amide:sc= 0.351 K(o=0.35,f=-0.17) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -1.4 (180deg=-2.75!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0.46 (180deg=0.401) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00616) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0553 F(o=-0.8,f=-0.055) USER MOD Single : A 23 GLN : amide:sc= -0.959 K(o=-0.96,f=-1.9) USER MOD Single : A 27 MET CE :methyl 171:sc= -2.31 (180deg=-2.43!) USER MOD Single : A 33 ASN : amide:sc= -0.0565 X(o=-0.057,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.554 (180deg=-0.303) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 165:sc= -1.33 (180deg=-2.23!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0.014 (180deg=-0.0406) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc=-0.00698 (180deg=-0.102) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 64 THR OG1 : rot 150:sc= -0.087 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0359) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.24 K(o=-0.24,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -8.349 -13.082 2.252 1.00 12.25 N ATOM 29 CA PRO A 4 -7.600 -11.799 2.389 1.00 22.54 C ATOM 30 C PRO A 4 -8.211 -10.679 1.527 1.00 74.51 C ATOM 31 O PRO A 4 -8.146 -9.507 1.884 1.00 50.34 O ATOM 32 CB PRO A 4 -6.154 -12.162 1.932 1.00 53.43 C ATOM 33 CG PRO A 4 -6.080 -13.656 2.098 1.00 45.00 C ATOM 34 CD PRO A 4 -7.465 -14.176 1.773 1.00 21.02 C ATOM 0 HA PRO A 4 -7.631 -11.406 3.405 1.00 22.54 H new ATOM 0 HB2 PRO A 4 -5.977 -11.867 0.898 1.00 53.43 H new ATOM 0 HB3 PRO A 4 -5.405 -11.656 2.541 1.00 53.43 H new ATOM 0 HG2 PRO A 4 -5.334 -14.087 1.431 1.00 45.00 H new ATOM 0 HG3 PRO A 4 -5.791 -13.923 3.114 1.00 45.00 H new ATOM 0 HD2 PRO A 4 -7.589 -14.357 0.705 1.00 21.02 H new ATOM 0 HD3 PRO A 4 -7.674 -15.117 2.282 1.00 21.02 H new ATOM 42 N ASP A 5 -8.849 -11.099 0.422 1.00 12.22 N ATOM 43 CA ASP A 5 -9.578 -10.216 -0.515 1.00 64.12 C ATOM 44 C ASP A 5 -10.722 -9.460 0.182 1.00 2.34 C ATOM 45 O ASP A 5 -10.998 -8.308 -0.152 1.00 32.41 O ATOM 46 CB ASP A 5 -10.163 -11.041 -1.685 1.00 74.33 C ATOM 47 CG ASP A 5 -9.100 -11.858 -2.419 1.00 54.45 C ATOM 48 OD1 ASP A 5 -8.731 -12.944 -1.918 1.00 31.35 O ATOM 49 OD2 ASP A 5 -8.612 -11.412 -3.485 1.00 5.23 O ATOM 0 H ASP A 5 -8.875 -12.081 0.146 1.00 12.22 H new ATOM 0 HA ASP A 5 -8.860 -9.487 -0.891 1.00 64.12 H new ATOM 0 HB2 ASP A 5 -10.932 -11.712 -1.302 1.00 74.33 H new ATOM 0 HB3 ASP A 5 -10.650 -10.368 -2.391 1.00 74.33 H new ATOM 54 N GLU A 6 -11.399 -10.137 1.127 1.00 1.31 N ATOM 55 CA GLU A 6 -12.482 -9.536 1.929 1.00 72.31 C ATOM 56 C GLU A 6 -11.953 -8.364 2.763 1.00 73.12 C ATOM 57 O GLU A 6 -12.584 -7.321 2.828 1.00 33.11 O ATOM 58 CB GLU A 6 -13.129 -10.606 2.853 1.00 14.40 C ATOM 59 CG GLU A 6 -13.719 -11.818 2.097 1.00 74.21 C ATOM 60 CD GLU A 6 -14.848 -11.444 1.116 1.00 34.32 C ATOM 61 OE1 GLU A 6 -16.022 -11.413 1.531 1.00 74.45 O ATOM 62 OE2 GLU A 6 -14.566 -11.168 -0.071 1.00 61.54 O ATOM 0 H GLU A 6 -11.212 -11.113 1.356 1.00 1.31 H new ATOM 0 HA GLU A 6 -13.242 -9.157 1.247 1.00 72.31 H new ATOM 0 HB2 GLU A 6 -12.379 -10.962 3.560 1.00 14.40 H new ATOM 0 HB3 GLU A 6 -13.920 -10.136 3.437 1.00 14.40 H new ATOM 0 HG2 GLU A 6 -12.921 -12.316 1.546 1.00 74.21 H new ATOM 0 HG3 GLU A 6 -14.102 -12.536 2.822 1.00 74.21 H new ATOM 69 N ASN A 7 -10.771 -8.556 3.363 1.00 23.42 N ATOM 70 CA ASN A 7 -10.099 -7.527 4.187 1.00 65.22 C ATOM 71 C ASN A 7 -9.624 -6.364 3.298 1.00 5.21 C ATOM 72 O ASN A 7 -9.773 -5.194 3.655 1.00 12.15 O ATOM 73 CB ASN A 7 -8.909 -8.155 4.941 1.00 10.44 C ATOM 74 CG ASN A 7 -9.278 -9.401 5.750 1.00 42.42 C ATOM 75 OD1 ASN A 7 -10.391 -9.529 6.263 1.00 43.40 O ATOM 76 ND2 ASN A 7 -8.343 -10.330 5.873 1.00 15.22 N ATOM 0 H ASN A 7 -10.248 -9.429 3.294 1.00 23.42 H new ATOM 0 HA ASN A 7 -10.807 -7.135 4.917 1.00 65.22 H new ATOM 0 HB2 ASN A 7 -8.133 -8.417 4.222 1.00 10.44 H new ATOM 0 HB3 ASN A 7 -8.483 -7.410 5.613 1.00 10.44 H new ATOM 0 HD21 ASN A 7 -8.535 -11.180 6.404 1.00 15.22 H new ATOM 0 HD22 ASN A 7 -7.431 -10.196 5.437 1.00 15.22 H new ATOM 83 N ILE A 8 -9.093 -6.729 2.111 1.00 44.13 N ATOM 84 CA ILE A 8 -8.684 -5.782 1.057 1.00 12.11 C ATOM 85 C ILE A 8 -9.879 -4.907 0.614 1.00 14.33 C ATOM 86 O ILE A 8 -9.705 -3.719 0.374 1.00 1.30 O ATOM 87 CB ILE A 8 -8.050 -6.565 -0.167 1.00 71.00 C ATOM 88 CG1 ILE A 8 -6.660 -7.169 0.238 1.00 13.11 C ATOM 89 CG2 ILE A 8 -7.928 -5.684 -1.438 1.00 32.01 C ATOM 90 CD1 ILE A 8 -6.014 -8.066 -0.810 1.00 44.33 C ATOM 0 H ILE A 8 -8.935 -7.704 1.857 1.00 44.13 H new ATOM 0 HA ILE A 8 -7.922 -5.114 1.460 1.00 12.11 H new ATOM 0 HB ILE A 8 -8.729 -7.379 -0.421 1.00 71.00 H new ATOM 0 HG12 ILE A 8 -5.977 -6.350 0.463 1.00 13.11 H new ATOM 0 HG13 ILE A 8 -6.784 -7.742 1.157 1.00 13.11 H new ATOM 0 HG21 ILE A 8 -7.488 -6.269 -2.245 1.00 32.01 H new ATOM 0 HG22 ILE A 8 -8.917 -5.339 -1.738 1.00 32.01 H new ATOM 0 HG23 ILE A 8 -7.293 -4.824 -1.225 1.00 32.01 H new ATOM 0 HD11 ILE A 8 -5.059 -8.433 -0.436 1.00 44.33 H new ATOM 0 HD12 ILE A 8 -6.670 -8.911 -1.020 1.00 44.33 H new ATOM 0 HD13 ILE A 8 -5.850 -7.497 -1.725 1.00 44.33 H new ATOM 102 N ALA A 9 -11.091 -5.505 0.578 1.00 45.45 N ATOM 103 CA ALA A 9 -12.340 -4.803 0.219 1.00 71.01 C ATOM 104 C ALA A 9 -12.661 -3.662 1.205 1.00 33.10 C ATOM 105 O ALA A 9 -13.191 -2.617 0.806 1.00 64.34 O ATOM 106 CB ALA A 9 -13.505 -5.802 0.142 1.00 24.03 C ATOM 0 H ALA A 9 -11.229 -6.491 0.798 1.00 45.45 H new ATOM 0 HA ALA A 9 -12.198 -4.349 -0.762 1.00 71.01 H new ATOM 0 HB1 ALA A 9 -14.421 -5.273 -0.123 1.00 24.03 H new ATOM 0 HB2 ALA A 9 -13.289 -6.556 -0.615 1.00 24.03 H new ATOM 0 HB3 ALA A 9 -13.633 -6.287 1.110 1.00 24.03 H new ATOM 112 N LYS A 10 -12.322 -3.875 2.491 1.00 0.34 N ATOM 113 CA LYS A 10 -12.469 -2.855 3.540 1.00 74.32 C ATOM 114 C LYS A 10 -11.439 -1.731 3.340 1.00 24.10 C ATOM 115 O LYS A 10 -11.738 -0.568 3.611 1.00 72.35 O ATOM 116 CB LYS A 10 -12.323 -3.484 4.960 1.00 73.45 C ATOM 117 CG LYS A 10 -13.586 -4.197 5.510 1.00 41.45 C ATOM 118 CD LYS A 10 -13.987 -5.447 4.711 1.00 35.21 C ATOM 119 CE LYS A 10 -15.218 -6.162 5.277 1.00 1.12 C ATOM 120 NZ LYS A 10 -15.464 -7.448 4.566 1.00 54.51 N ATOM 0 H LYS A 10 -11.939 -4.758 2.829 1.00 0.34 H new ATOM 0 HA LYS A 10 -13.470 -2.431 3.462 1.00 74.32 H new ATOM 0 HB2 LYS A 10 -11.503 -4.202 4.937 1.00 73.45 H new ATOM 0 HB3 LYS A 10 -12.038 -2.697 5.659 1.00 73.45 H new ATOM 0 HG2 LYS A 10 -13.409 -4.481 6.547 1.00 41.45 H new ATOM 0 HG3 LYS A 10 -14.419 -3.494 5.509 1.00 41.45 H new ATOM 0 HD2 LYS A 10 -14.185 -5.161 3.678 1.00 35.21 H new ATOM 0 HD3 LYS A 10 -13.148 -6.143 4.694 1.00 35.21 H new ATOM 0 HE2 LYS A 10 -15.075 -6.352 6.341 1.00 1.12 H new ATOM 0 HE3 LYS A 10 -16.092 -5.518 5.183 1.00 1.12 H new ATOM 0 HZ1 LYS A 10 -16.303 -7.912 4.969 1.00 54.51 H new ATOM 0 HZ2 LYS A 10 -15.623 -7.261 3.555 1.00 54.51 H new ATOM 0 HZ3 LYS A 10 -14.638 -8.070 4.677 1.00 54.51 H new ATOM 134 N PHE A 11 -10.233 -2.100 2.866 1.00 43.11 N ATOM 135 CA PHE A 11 -9.146 -1.138 2.583 1.00 31.03 C ATOM 136 C PHE A 11 -9.422 -0.347 1.297 1.00 3.00 C ATOM 137 O PHE A 11 -8.927 0.762 1.143 1.00 43.34 O ATOM 138 CB PHE A 11 -7.779 -1.855 2.470 1.00 14.12 C ATOM 139 CG PHE A 11 -7.375 -2.655 3.701 1.00 33.44 C ATOM 140 CD1 PHE A 11 -7.618 -2.166 4.988 1.00 22.44 C ATOM 141 CD2 PHE A 11 -6.749 -3.894 3.574 1.00 33.13 C ATOM 142 CE1 PHE A 11 -7.251 -2.896 6.099 1.00 3.24 C ATOM 143 CE2 PHE A 11 -6.384 -4.617 4.683 1.00 10.44 C ATOM 144 CZ PHE A 11 -6.633 -4.121 5.944 1.00 0.34 C ATOM 0 H PHE A 11 -9.984 -3.069 2.669 1.00 43.11 H new ATOM 0 HA PHE A 11 -9.109 -0.441 3.421 1.00 31.03 H new ATOM 0 HB2 PHE A 11 -7.806 -2.525 1.611 1.00 14.12 H new ATOM 0 HB3 PHE A 11 -7.009 -1.110 2.269 1.00 14.12 H new ATOM 0 HD1 PHE A 11 -8.098 -1.207 5.113 1.00 22.44 H new ATOM 0 HD2 PHE A 11 -6.548 -4.291 2.590 1.00 33.13 H new ATOM 0 HE1 PHE A 11 -7.447 -2.510 7.089 1.00 3.24 H new ATOM 0 HE2 PHE A 11 -5.901 -5.576 4.566 1.00 10.44 H new ATOM 0 HZ PHE A 11 -6.344 -4.692 6.814 1.00 0.34 H new ATOM 154 N GLU A 12 -10.185 -0.952 0.369 1.00 73.21 N ATOM 155 CA GLU A 12 -10.620 -0.303 -0.881 1.00 3.12 C ATOM 156 C GLU A 12 -11.739 0.703 -0.581 1.00 64.41 C ATOM 157 O GLU A 12 -11.772 1.777 -1.169 1.00 41.42 O ATOM 158 CB GLU A 12 -11.087 -1.357 -1.923 1.00 2.14 C ATOM 159 CG GLU A 12 -9.964 -2.289 -2.424 1.00 3.13 C ATOM 160 CD GLU A 12 -10.465 -3.336 -3.424 1.00 14.14 C ATOM 161 OE1 GLU A 12 -11.246 -4.214 -3.012 1.00 43.05 O ATOM 162 OE2 GLU A 12 -10.109 -3.274 -4.622 1.00 51.54 O ATOM 0 H GLU A 12 -10.519 -1.911 0.466 1.00 73.21 H new ATOM 0 HA GLU A 12 -9.773 0.231 -1.311 1.00 3.12 H new ATOM 0 HB2 GLU A 12 -11.877 -1.964 -1.481 1.00 2.14 H new ATOM 0 HB3 GLU A 12 -11.523 -0.839 -2.777 1.00 2.14 H new ATOM 0 HG2 GLU A 12 -9.183 -1.690 -2.892 1.00 3.13 H new ATOM 0 HG3 GLU A 12 -9.510 -2.795 -1.572 1.00 3.13 H new ATOM 169 N LYS A 13 -12.642 0.349 0.357 1.00 13.21 N ATOM 170 CA LYS A 13 -13.705 1.258 0.826 1.00 10.22 C ATOM 171 C LYS A 13 -13.075 2.390 1.661 1.00 64.20 C ATOM 172 O LYS A 13 -13.513 3.538 1.584 1.00 24.02 O ATOM 173 CB LYS A 13 -14.775 0.447 1.621 1.00 62.33 C ATOM 174 CG LYS A 13 -16.128 1.180 1.929 1.00 65.02 C ATOM 175 CD LYS A 13 -16.118 2.118 3.180 1.00 12.44 C ATOM 176 CE LYS A 13 -16.150 1.367 4.529 1.00 64.30 C ATOM 177 NZ LYS A 13 -14.930 0.547 4.784 1.00 4.21 N ATOM 0 H LYS A 13 -12.654 -0.567 0.806 1.00 13.21 H new ATOM 0 HA LYS A 13 -14.216 1.720 -0.019 1.00 10.22 H new ATOM 0 HB2 LYS A 13 -14.999 -0.461 1.061 1.00 62.33 H new ATOM 0 HB3 LYS A 13 -14.333 0.137 2.568 1.00 62.33 H new ATOM 0 HG2 LYS A 13 -16.408 1.771 1.057 1.00 65.02 H new ATOM 0 HG3 LYS A 13 -16.905 0.428 2.067 1.00 65.02 H new ATOM 0 HD2 LYS A 13 -15.226 2.743 3.145 1.00 12.44 H new ATOM 0 HD3 LYS A 13 -16.978 2.786 3.127 1.00 12.44 H new ATOM 0 HE2 LYS A 13 -16.267 2.091 5.336 1.00 64.30 H new ATOM 0 HE3 LYS A 13 -17.026 0.718 4.554 1.00 64.30 H new ATOM 0 HZ1 LYS A 13 -14.813 0.408 5.808 1.00 4.21 H new ATOM 0 HZ2 LYS A 13 -15.029 -0.378 4.318 1.00 4.21 H new ATOM 0 HZ3 LYS A 13 -14.096 1.038 4.404 1.00 4.21 H new ATOM 191 N ALA A 14 -12.023 2.048 2.433 1.00 3.03 N ATOM 192 CA ALA A 14 -11.239 3.028 3.205 1.00 34.42 C ATOM 193 C ALA A 14 -10.447 3.944 2.266 1.00 13.25 C ATOM 194 O ALA A 14 -10.278 5.131 2.545 1.00 31.31 O ATOM 195 CB ALA A 14 -10.287 2.311 4.165 1.00 4.40 C ATOM 0 H ALA A 14 -11.696 1.088 2.537 1.00 3.03 H new ATOM 0 HA ALA A 14 -11.931 3.639 3.786 1.00 34.42 H new ATOM 0 HB1 ALA A 14 -9.715 3.048 4.728 1.00 4.40 H new ATOM 0 HB2 ALA A 14 -10.863 1.694 4.855 1.00 4.40 H new ATOM 0 HB3 ALA A 14 -9.605 1.679 3.596 1.00 4.40 H new ATOM 201 N TYR A 15 -9.968 3.363 1.157 1.00 51.24 N ATOM 202 CA TYR A 15 -9.232 4.085 0.115 1.00 41.22 C ATOM 203 C TYR A 15 -10.146 5.110 -0.546 1.00 53.02 C ATOM 204 O TYR A 15 -9.761 6.259 -0.706 1.00 1.42 O ATOM 205 CB TYR A 15 -8.680 3.087 -0.943 1.00 53.55 C ATOM 206 CG TYR A 15 -7.936 3.740 -2.111 1.00 55.31 C ATOM 207 CD1 TYR A 15 -6.720 4.388 -1.905 1.00 2.12 C ATOM 208 CD2 TYR A 15 -8.454 3.729 -3.410 1.00 73.42 C ATOM 209 CE1 TYR A 15 -6.053 4.995 -2.937 1.00 51.44 C ATOM 210 CE2 TYR A 15 -7.785 4.343 -4.445 1.00 71.33 C ATOM 211 CZ TYR A 15 -6.585 4.973 -4.205 1.00 31.31 C ATOM 212 OH TYR A 15 -5.920 5.601 -5.236 1.00 24.53 O ATOM 0 H TYR A 15 -10.083 2.369 0.958 1.00 51.24 H new ATOM 0 HA TYR A 15 -8.389 4.606 0.570 1.00 41.22 H new ATOM 0 HB2 TYR A 15 -8.007 2.388 -0.447 1.00 53.55 H new ATOM 0 HB3 TYR A 15 -9.510 2.503 -1.340 1.00 53.55 H new ATOM 0 HD1 TYR A 15 -6.295 4.412 -0.913 1.00 2.12 H new ATOM 0 HD2 TYR A 15 -9.393 3.232 -3.604 1.00 73.42 H new ATOM 0 HE1 TYR A 15 -5.111 5.490 -2.755 1.00 51.44 H new ATOM 0 HE2 TYR A 15 -8.200 4.330 -5.442 1.00 71.33 H new ATOM 0 HH TYR A 15 -6.428 5.492 -6.067 1.00 24.53 H new ATOM 222 N LYS A 16 -11.362 4.664 -0.905 1.00 71.20 N ATOM 223 CA LYS A 16 -12.352 5.496 -1.597 1.00 72.10 C ATOM 224 C LYS A 16 -12.925 6.576 -0.680 1.00 3.32 C ATOM 225 O LYS A 16 -13.221 7.668 -1.150 1.00 14.50 O ATOM 226 CB LYS A 16 -13.474 4.612 -2.214 1.00 70.44 C ATOM 227 CG LYS A 16 -12.991 3.736 -3.394 1.00 54.22 C ATOM 228 CD LYS A 16 -12.363 4.581 -4.534 1.00 74.31 C ATOM 229 CE LYS A 16 -11.756 3.733 -5.656 1.00 33.13 C ATOM 230 NZ LYS A 16 -11.031 4.590 -6.632 1.00 12.52 N ATOM 0 H LYS A 16 -11.683 3.714 -0.721 1.00 71.20 H new ATOM 0 HA LYS A 16 -11.844 6.013 -2.411 1.00 72.10 H new ATOM 0 HB2 LYS A 16 -13.885 3.967 -1.438 1.00 70.44 H new ATOM 0 HB3 LYS A 16 -14.285 5.255 -2.557 1.00 70.44 H new ATOM 0 HG2 LYS A 16 -12.258 3.015 -3.032 1.00 54.22 H new ATOM 0 HG3 LYS A 16 -13.832 3.165 -3.788 1.00 54.22 H new ATOM 0 HD2 LYS A 16 -13.127 5.234 -4.955 1.00 74.31 H new ATOM 0 HD3 LYS A 16 -11.589 5.224 -4.115 1.00 74.31 H new ATOM 0 HE2 LYS A 16 -11.072 2.997 -5.233 1.00 33.13 H new ATOM 0 HE3 LYS A 16 -12.544 3.179 -6.166 1.00 33.13 H new ATOM 0 HZ1 LYS A 16 -10.515 3.989 -7.306 1.00 12.52 H new ATOM 0 HZ2 LYS A 16 -11.713 5.182 -7.148 1.00 12.52 H new ATOM 0 HZ3 LYS A 16 -10.357 5.199 -6.126 1.00 12.52 H new ATOM 244 N LYS A 17 -13.043 6.272 0.624 1.00 45.02 N ATOM 245 CA LYS A 17 -13.505 7.242 1.630 1.00 41.44 C ATOM 246 C LYS A 17 -12.461 8.363 1.785 1.00 42.12 C ATOM 247 O LYS A 17 -12.791 9.552 1.741 1.00 35.14 O ATOM 248 CB LYS A 17 -13.785 6.530 2.977 1.00 11.31 C ATOM 249 CG LYS A 17 -14.343 7.455 4.084 1.00 52.13 C ATOM 250 CD LYS A 17 -14.777 6.671 5.341 1.00 30.53 C ATOM 251 CE LYS A 17 -15.208 7.601 6.487 1.00 74.01 C ATOM 252 NZ LYS A 17 -16.395 8.435 6.135 1.00 44.51 N ATOM 0 H LYS A 17 -12.822 5.353 1.008 1.00 45.02 H new ATOM 0 HA LYS A 17 -14.441 7.693 1.299 1.00 41.44 H new ATOM 0 HB2 LYS A 17 -14.494 5.720 2.806 1.00 11.31 H new ATOM 0 HB3 LYS A 17 -12.861 6.075 3.333 1.00 11.31 H new ATOM 0 HG2 LYS A 17 -13.584 8.187 4.359 1.00 52.13 H new ATOM 0 HG3 LYS A 17 -15.195 8.011 3.694 1.00 52.13 H new ATOM 0 HD2 LYS A 17 -15.602 6.006 5.085 1.00 30.53 H new ATOM 0 HD3 LYS A 17 -13.953 6.042 5.677 1.00 30.53 H new ATOM 0 HE2 LYS A 17 -15.438 7.003 7.369 1.00 74.01 H new ATOM 0 HE3 LYS A 17 -14.376 8.253 6.753 1.00 74.01 H new ATOM 0 HZ1 LYS A 17 -16.664 9.018 6.953 1.00 44.51 H new ATOM 0 HZ2 LYS A 17 -16.160 9.052 5.332 1.00 44.51 H new ATOM 0 HZ3 LYS A 17 -17.189 7.816 5.875 1.00 44.51 H new ATOM 266 N ALA A 18 -11.189 7.948 1.893 1.00 54.11 N ATOM 267 CA ALA A 18 -10.034 8.855 1.938 1.00 40.34 C ATOM 268 C ALA A 18 -9.836 9.602 0.595 1.00 35.40 C ATOM 269 O ALA A 18 -9.258 10.675 0.578 1.00 65.02 O ATOM 270 CB ALA A 18 -8.777 8.074 2.317 1.00 55.12 C ATOM 0 H ALA A 18 -10.932 6.963 1.952 1.00 54.11 H new ATOM 0 HA ALA A 18 -10.227 9.612 2.698 1.00 40.34 H new ATOM 0 HB1 ALA A 18 -7.924 8.751 2.349 1.00 55.12 H new ATOM 0 HB2 ALA A 18 -8.914 7.617 3.297 1.00 55.12 H new ATOM 0 HB3 ALA A 18 -8.595 7.296 1.576 1.00 55.12 H new ATOM 276 N GLU A 19 -10.283 8.986 -0.518 1.00 61.23 N ATOM 277 CA GLU A 19 -10.170 9.544 -1.889 1.00 14.33 C ATOM 278 C GLU A 19 -11.208 10.656 -2.122 1.00 44.52 C ATOM 279 O GLU A 19 -10.927 11.653 -2.803 1.00 10.13 O ATOM 280 CB GLU A 19 -10.331 8.397 -2.933 1.00 14.44 C ATOM 281 CG GLU A 19 -10.065 8.801 -4.397 1.00 23.41 C ATOM 282 CD GLU A 19 -10.297 7.651 -5.393 1.00 14.44 C ATOM 283 OE1 GLU A 19 -11.429 7.497 -5.881 1.00 51.42 O ATOM 284 OE2 GLU A 19 -9.354 6.883 -5.687 1.00 22.15 O ATOM 0 H GLU A 19 -10.740 8.074 -0.494 1.00 61.23 H new ATOM 0 HA GLU A 19 -9.184 9.993 -2.007 1.00 14.33 H new ATOM 0 HB2 GLU A 19 -9.652 7.587 -2.667 1.00 14.44 H new ATOM 0 HB3 GLU A 19 -11.344 8.000 -2.860 1.00 14.44 H new ATOM 0 HG2 GLU A 19 -10.712 9.637 -4.660 1.00 23.41 H new ATOM 0 HG3 GLU A 19 -9.037 9.152 -4.490 1.00 23.41 H new ATOM 291 N GLU A 20 -12.405 10.490 -1.528 1.00 63.35 N ATOM 292 CA GLU A 20 -13.467 11.517 -1.580 1.00 65.33 C ATOM 293 C GLU A 20 -13.097 12.723 -0.698 1.00 11.13 C ATOM 294 O GLU A 20 -13.476 13.860 -0.989 1.00 74.34 O ATOM 295 CB GLU A 20 -14.841 10.936 -1.148 1.00 14.43 C ATOM 296 CG GLU A 20 -15.361 9.769 -2.017 1.00 13.32 C ATOM 297 CD GLU A 20 -15.242 10.011 -3.534 1.00 64.53 C ATOM 298 OE1 GLU A 20 -15.969 10.874 -4.070 1.00 41.15 O ATOM 299 OE2 GLU A 20 -14.407 9.349 -4.196 1.00 34.03 O ATOM 0 H GLU A 20 -12.663 9.653 -1.005 1.00 63.35 H new ATOM 0 HA GLU A 20 -13.553 11.850 -2.614 1.00 65.33 H new ATOM 0 HB2 GLU A 20 -14.765 10.594 -0.116 1.00 14.43 H new ATOM 0 HB3 GLU A 20 -15.579 11.738 -1.165 1.00 14.43 H new ATOM 0 HG2 GLU A 20 -14.809 8.865 -1.760 1.00 13.32 H new ATOM 0 HG3 GLU A 20 -16.407 9.585 -1.770 1.00 13.32 H new ATOM 306 N LEU A 21 -12.383 12.440 0.398 1.00 64.53 N ATOM 307 CA LEU A 21 -11.802 13.466 1.282 1.00 44.11 C ATOM 308 C LEU A 21 -10.453 13.986 0.707 1.00 62.01 C ATOM 309 O LEU A 21 -9.950 15.031 1.125 1.00 14.04 O ATOM 310 CB LEU A 21 -11.599 12.839 2.695 1.00 54.44 C ATOM 311 CG LEU A 21 -12.897 12.339 3.417 1.00 5.34 C ATOM 312 CD1 LEU A 21 -12.565 11.622 4.749 1.00 3.02 C ATOM 313 CD2 LEU A 21 -13.887 13.498 3.639 1.00 33.20 C ATOM 0 H LEU A 21 -12.189 11.486 0.702 1.00 64.53 H new ATOM 0 HA LEU A 21 -12.476 14.320 1.353 1.00 44.11 H new ATOM 0 HB2 LEU A 21 -10.912 11.998 2.602 1.00 54.44 H new ATOM 0 HB3 LEU A 21 -11.114 13.578 3.333 1.00 54.44 H new ATOM 0 HG LEU A 21 -13.377 11.609 2.765 1.00 5.34 H new ATOM 0 HD11 LEU A 21 -13.488 11.289 5.223 1.00 3.02 H new ATOM 0 HD12 LEU A 21 -11.928 10.760 4.549 1.00 3.02 H new ATOM 0 HD13 LEU A 21 -12.045 12.312 5.414 1.00 3.02 H new ATOM 0 HD21 LEU A 21 -14.779 13.124 4.142 1.00 33.20 H new ATOM 0 HD22 LEU A 21 -13.418 14.264 4.256 1.00 33.20 H new ATOM 0 HD23 LEU A 21 -14.166 13.927 2.677 1.00 33.20 H new ATOM 325 N ASN A 22 -9.898 13.212 -0.254 1.00 74.24 N ATOM 326 CA ASN A 22 -8.606 13.464 -0.932 1.00 52.03 C ATOM 327 C ASN A 22 -7.427 13.535 0.076 1.00 75.05 C ATOM 328 O ASN A 22 -6.407 14.182 -0.176 1.00 11.21 O ATOM 329 CB ASN A 22 -8.685 14.719 -1.858 1.00 60.14 C ATOM 330 CG ASN A 22 -7.561 14.797 -2.912 1.00 41.15 C ATOM 331 OD1 ASN A 22 -7.172 13.663 -3.495 1.00 30.13 O flip ATOM 332 ND2 ASN A 22 -7.078 15.881 -3.232 1.00 55.11 N flip ATOM 0 H ASN A 22 -10.354 12.364 -0.591 1.00 74.24 H new ATOM 0 HA ASN A 22 -8.400 12.611 -1.578 1.00 52.03 H new ATOM 0 HB2 ASN A 22 -9.648 14.720 -2.369 1.00 60.14 H new ATOM 0 HB3 ASN A 22 -8.651 15.616 -1.240 1.00 60.14 H new ATOM 0 HD21 ASN A 22 -7.392 16.735 -2.771 1.00 55.11 H new ATOM 0 HD22 ASN A 22 -6.363 15.926 -3.958 1.00 55.11 H new ATOM 339 N GLN A 23 -7.578 12.834 1.216 1.00 5.24 N ATOM 340 CA GLN A 23 -6.506 12.678 2.211 1.00 50.21 C ATOM 341 C GLN A 23 -5.461 11.702 1.654 1.00 45.33 C ATOM 342 O GLN A 23 -5.639 10.480 1.734 1.00 34.24 O ATOM 343 CB GLN A 23 -7.064 12.179 3.570 1.00 23.22 C ATOM 344 CG GLN A 23 -8.072 13.136 4.231 1.00 44.22 C ATOM 345 CD GLN A 23 -8.519 12.682 5.623 1.00 42.45 C ATOM 346 OE1 GLN A 23 -7.764 12.039 6.362 1.00 13.12 O ATOM 347 NE2 GLN A 23 -9.738 13.032 5.998 1.00 4.40 N ATOM 0 H GLN A 23 -8.446 12.362 1.470 1.00 5.24 H new ATOM 0 HA GLN A 23 -6.042 13.647 2.397 1.00 50.21 H new ATOM 0 HB2 GLN A 23 -7.544 11.212 3.419 1.00 23.22 H new ATOM 0 HB3 GLN A 23 -6.231 12.018 4.254 1.00 23.22 H new ATOM 0 HG2 GLN A 23 -7.625 14.127 4.306 1.00 44.22 H new ATOM 0 HG3 GLN A 23 -8.948 13.229 3.589 1.00 44.22 H new ATOM 0 HE21 GLN A 23 -10.334 13.562 5.363 1.00 4.40 H new ATOM 0 HE22 GLN A 23 -10.082 12.772 6.922 1.00 4.40 H new ATOM 356 N GLY A 24 -4.406 12.280 1.046 1.00 33.15 N ATOM 357 CA GLY A 24 -3.385 11.533 0.322 1.00 0.11 C ATOM 358 C GLY A 24 -2.727 10.439 1.155 1.00 10.34 C ATOM 359 O GLY A 24 -2.722 9.272 0.757 1.00 43.22 O ATOM 0 H GLY A 24 -4.247 13.287 1.050 1.00 33.15 H new ATOM 0 HA2 GLY A 24 -3.834 11.084 -0.564 1.00 0.11 H new ATOM 0 HA3 GLY A 24 -2.618 12.225 -0.026 1.00 0.11 H new ATOM 363 N GLU A 25 -2.216 10.832 2.332 1.00 32.15 N ATOM 364 CA GLU A 25 -1.523 9.935 3.270 1.00 70.52 C ATOM 365 C GLU A 25 -2.369 8.696 3.596 1.00 53.12 C ATOM 366 O GLU A 25 -1.875 7.575 3.516 1.00 11.00 O ATOM 367 CB GLU A 25 -1.164 10.710 4.573 1.00 3.23 C ATOM 368 CG GLU A 25 -0.691 9.804 5.731 1.00 40.12 C ATOM 369 CD GLU A 25 -0.402 10.546 7.035 1.00 32.32 C ATOM 370 OE1 GLU A 25 -1.351 11.076 7.639 1.00 4.53 O ATOM 371 OE2 GLU A 25 0.758 10.584 7.475 1.00 22.11 O ATOM 0 H GLU A 25 -2.273 11.795 2.664 1.00 32.15 H new ATOM 0 HA GLU A 25 -0.606 9.587 2.794 1.00 70.52 H new ATOM 0 HB2 GLU A 25 -0.381 11.435 4.349 1.00 3.23 H new ATOM 0 HB3 GLU A 25 -2.037 11.275 4.900 1.00 3.23 H new ATOM 0 HG2 GLU A 25 -1.453 9.047 5.919 1.00 40.12 H new ATOM 0 HG3 GLU A 25 0.211 9.277 5.419 1.00 40.12 H new ATOM 378 N LEU A 26 -3.657 8.930 3.899 1.00 44.24 N ATOM 379 CA LEU A 26 -4.602 7.880 4.314 1.00 32.54 C ATOM 380 C LEU A 26 -4.825 6.882 3.156 1.00 62.11 C ATOM 381 O LEU A 26 -4.898 5.669 3.375 1.00 22.34 O ATOM 382 CB LEU A 26 -5.937 8.538 4.786 1.00 33.44 C ATOM 383 CG LEU A 26 -6.611 7.902 6.040 1.00 63.25 C ATOM 384 CD1 LEU A 26 -7.820 8.727 6.495 1.00 5.42 C ATOM 385 CD2 LEU A 26 -7.005 6.430 5.812 1.00 55.24 C ATOM 0 H LEU A 26 -4.074 9.860 3.862 1.00 44.24 H new ATOM 0 HA LEU A 26 -4.191 7.318 5.153 1.00 32.54 H new ATOM 0 HB2 LEU A 26 -5.745 9.590 4.997 1.00 33.44 H new ATOM 0 HB3 LEU A 26 -6.647 8.503 3.960 1.00 33.44 H new ATOM 0 HG LEU A 26 -5.867 7.913 6.836 1.00 63.25 H new ATOM 0 HD11 LEU A 26 -8.270 8.260 7.371 1.00 5.42 H new ATOM 0 HD12 LEU A 26 -7.497 9.737 6.748 1.00 5.42 H new ATOM 0 HD13 LEU A 26 -8.554 8.772 5.690 1.00 5.42 H new ATOM 0 HD21 LEU A 26 -7.470 6.034 6.715 1.00 55.24 H new ATOM 0 HD22 LEU A 26 -7.710 6.366 4.983 1.00 55.24 H new ATOM 0 HD23 LEU A 26 -6.114 5.847 5.577 1.00 55.24 H new ATOM 397 N MET A 27 -4.920 7.422 1.932 1.00 41.24 N ATOM 398 CA MET A 27 -5.026 6.613 0.700 1.00 73.33 C ATOM 399 C MET A 27 -3.782 5.726 0.506 1.00 61.10 C ATOM 400 O MET A 27 -3.903 4.567 0.101 1.00 42.22 O ATOM 401 CB MET A 27 -5.225 7.508 -0.551 1.00 74.33 C ATOM 402 CG MET A 27 -6.553 8.266 -0.598 1.00 75.33 C ATOM 403 SD MET A 27 -6.858 9.042 -2.202 1.00 14.35 S ATOM 404 CE MET A 27 -5.375 10.015 -2.427 1.00 63.14 C ATOM 0 H MET A 27 -4.926 8.428 1.764 1.00 41.24 H new ATOM 0 HA MET A 27 -5.901 5.974 0.815 1.00 73.33 H new ATOM 0 HB2 MET A 27 -4.410 8.230 -0.596 1.00 74.33 H new ATOM 0 HB3 MET A 27 -5.148 6.884 -1.442 1.00 74.33 H new ATOM 0 HG2 MET A 27 -7.367 7.578 -0.371 1.00 75.33 H new ATOM 0 HG3 MET A 27 -6.557 9.032 0.178 1.00 75.33 H new ATOM 0 HE1 MET A 27 -5.354 10.418 -3.440 1.00 63.14 H new ATOM 0 HE2 MET A 27 -5.366 10.836 -1.710 1.00 63.14 H new ATOM 0 HE3 MET A 27 -4.499 9.385 -2.269 1.00 63.14 H new ATOM 414 N GLY A 28 -2.593 6.295 0.792 1.00 70.22 N ATOM 415 CA GLY A 28 -1.334 5.556 0.732 1.00 12.53 C ATOM 416 C GLY A 28 -1.303 4.406 1.733 1.00 74.31 C ATOM 417 O GLY A 28 -0.818 3.314 1.423 1.00 23.32 O ATOM 0 H GLY A 28 -2.488 7.271 1.068 1.00 70.22 H new ATOM 0 HA2 GLY A 28 -1.190 5.165 -0.275 1.00 12.53 H new ATOM 0 HA3 GLY A 28 -0.505 6.234 0.932 1.00 12.53 H new ATOM 421 N ARG A 29 -1.861 4.654 2.935 1.00 10.44 N ATOM 422 CA ARG A 29 -1.960 3.642 4.007 1.00 15.03 C ATOM 423 C ARG A 29 -2.875 2.489 3.575 1.00 34.00 C ATOM 424 O ARG A 29 -2.583 1.335 3.863 1.00 15.33 O ATOM 425 CB ARG A 29 -2.483 4.283 5.328 1.00 74.51 C ATOM 426 CG ARG A 29 -1.566 5.396 5.867 1.00 71.30 C ATOM 427 CD ARG A 29 -2.040 6.010 7.203 1.00 11.34 C ATOM 428 NE ARG A 29 -1.097 7.039 7.674 1.00 54.24 N ATOM 429 CZ ARG A 29 0.123 6.798 8.182 1.00 53.42 C ATOM 430 NH1 ARG A 29 0.572 5.554 8.333 1.00 52.33 N ATOM 431 NH2 ARG A 29 0.921 7.799 8.499 1.00 20.30 N ATOM 0 H ARG A 29 -2.255 5.560 3.190 1.00 10.44 H new ATOM 0 HA ARG A 29 -0.962 3.244 4.191 1.00 15.03 H new ATOM 0 HB2 ARG A 29 -3.478 4.693 5.156 1.00 74.51 H new ATOM 0 HB3 ARG A 29 -2.585 3.506 6.086 1.00 74.51 H new ATOM 0 HG2 ARG A 29 -0.562 4.993 6.000 1.00 71.30 H new ATOM 0 HG3 ARG A 29 -1.495 6.187 5.121 1.00 71.30 H new ATOM 0 HD2 ARG A 29 -3.029 6.449 7.075 1.00 11.34 H new ATOM 0 HD3 ARG A 29 -2.134 5.226 7.955 1.00 11.34 H new ATOM 0 HE ARG A 29 -1.394 8.013 7.609 1.00 54.24 H new ATOM 0 HH11 ARG A 29 -0.013 4.764 8.061 1.00 52.33 H new ATOM 0 HH12 ARG A 29 1.501 5.391 8.721 1.00 52.33 H new ATOM 0 HH21 ARG A 29 0.613 8.761 8.359 1.00 20.30 H new ATOM 0 HH22 ARG A 29 1.846 7.611 8.884 1.00 20.30 H new ATOM 445 N ALA A 30 -3.961 2.842 2.864 1.00 50.34 N ATOM 446 CA ALA A 30 -4.944 1.879 2.341 1.00 15.02 C ATOM 447 C ALA A 30 -4.280 0.893 1.363 1.00 73.42 C ATOM 448 O ALA A 30 -4.447 -0.317 1.490 1.00 44.34 O ATOM 449 CB ALA A 30 -6.094 2.634 1.660 1.00 51.12 C ATOM 0 H ALA A 30 -4.182 3.811 2.635 1.00 50.34 H new ATOM 0 HA ALA A 30 -5.346 1.299 3.172 1.00 15.02 H new ATOM 0 HB1 ALA A 30 -6.820 1.919 1.274 1.00 51.12 H new ATOM 0 HB2 ALA A 30 -6.579 3.288 2.384 1.00 51.12 H new ATOM 0 HB3 ALA A 30 -5.700 3.232 0.838 1.00 51.12 H new ATOM 455 N LEU A 31 -3.495 1.454 0.418 1.00 2.32 N ATOM 456 CA LEU A 31 -2.758 0.685 -0.605 1.00 2.50 C ATOM 457 C LEU A 31 -1.681 -0.205 0.040 1.00 63.33 C ATOM 458 O LEU A 31 -1.468 -1.340 -0.385 1.00 1.13 O ATOM 459 CB LEU A 31 -2.099 1.664 -1.606 1.00 2.22 C ATOM 460 CG LEU A 31 -3.076 2.603 -2.374 1.00 32.44 C ATOM 461 CD1 LEU A 31 -2.307 3.694 -3.139 1.00 34.11 C ATOM 462 CD2 LEU A 31 -3.998 1.795 -3.314 1.00 2.12 C ATOM 0 H LEU A 31 -3.355 2.462 0.344 1.00 2.32 H new ATOM 0 HA LEU A 31 -3.463 0.038 -1.128 1.00 2.50 H new ATOM 0 HB2 LEU A 31 -1.382 2.281 -1.064 1.00 2.22 H new ATOM 0 HB3 LEU A 31 -1.534 1.084 -2.335 1.00 2.22 H new ATOM 0 HG LEU A 31 -3.710 3.102 -1.641 1.00 32.44 H new ATOM 0 HD11 LEU A 31 -3.013 4.335 -3.666 1.00 34.11 H new ATOM 0 HD12 LEU A 31 -1.729 4.293 -2.435 1.00 34.11 H new ATOM 0 HD13 LEU A 31 -1.633 3.228 -3.858 1.00 34.11 H new ATOM 0 HD21 LEU A 31 -4.670 2.475 -3.838 1.00 2.12 H new ATOM 0 HD22 LEU A 31 -3.392 1.253 -4.040 1.00 2.12 H new ATOM 0 HD23 LEU A 31 -4.583 1.086 -2.728 1.00 2.12 H new ATOM 474 N TYR A 32 -1.022 0.347 1.075 1.00 54.11 N ATOM 475 CA TYR A 32 0.028 -0.339 1.845 1.00 24.44 C ATOM 476 C TYR A 32 -0.548 -1.594 2.538 1.00 32.44 C ATOM 477 O TYR A 32 0.064 -2.663 2.496 1.00 1.21 O ATOM 478 CB TYR A 32 0.634 0.652 2.881 1.00 0.24 C ATOM 479 CG TYR A 32 1.759 0.079 3.760 1.00 63.13 C ATOM 480 CD1 TYR A 32 3.009 -0.220 3.216 1.00 52.53 C ATOM 481 CD2 TYR A 32 1.571 -0.153 5.128 1.00 71.31 C ATOM 482 CE1 TYR A 32 4.025 -0.733 3.997 1.00 30.42 C ATOM 483 CE2 TYR A 32 2.587 -0.664 5.913 1.00 53.33 C ATOM 484 CZ TYR A 32 3.812 -0.951 5.345 1.00 72.54 C ATOM 485 OH TYR A 32 4.826 -1.466 6.127 1.00 52.13 O ATOM 0 H TYR A 32 -1.207 1.295 1.403 1.00 54.11 H new ATOM 0 HA TYR A 32 0.820 -0.669 1.173 1.00 24.44 H new ATOM 0 HB2 TYR A 32 1.020 1.520 2.346 1.00 0.24 H new ATOM 0 HB3 TYR A 32 -0.166 1.007 3.530 1.00 0.24 H new ATOM 0 HD1 TYR A 32 3.185 -0.047 2.165 1.00 52.53 H new ATOM 0 HD2 TYR A 32 0.615 0.071 5.578 1.00 71.31 H new ATOM 0 HE1 TYR A 32 4.984 -0.963 3.556 1.00 30.42 H new ATOM 0 HE2 TYR A 32 2.423 -0.838 6.966 1.00 53.33 H new ATOM 0 HH TYR A 32 5.478 -1.925 5.557 1.00 52.13 H new ATOM 495 N ASN A 33 -1.758 -1.442 3.134 1.00 21.24 N ATOM 496 CA ASN A 33 -2.470 -2.534 3.845 1.00 0.32 C ATOM 497 C ASN A 33 -2.875 -3.659 2.872 1.00 4.13 C ATOM 498 O ASN A 33 -2.730 -4.847 3.191 1.00 53.50 O ATOM 499 CB ASN A 33 -3.727 -1.993 4.577 1.00 31.21 C ATOM 500 CG ASN A 33 -3.443 -0.948 5.658 1.00 63.40 C ATOM 501 OD1 ASN A 33 -2.372 -0.916 6.271 1.00 73.35 O ATOM 502 ND2 ASN A 33 -4.421 -0.088 5.906 1.00 1.44 N ATOM 0 H ASN A 33 -2.267 -0.558 3.135 1.00 21.24 H new ATOM 0 HA ASN A 33 -1.783 -2.944 4.585 1.00 0.32 H new ATOM 0 HB2 ASN A 33 -4.400 -1.557 3.839 1.00 31.21 H new ATOM 0 HB3 ASN A 33 -4.254 -2.832 5.032 1.00 31.21 H new ATOM 0 HD21 ASN A 33 -4.301 0.628 6.622 1.00 1.44 H new ATOM 0 HD22 ASN A 33 -5.294 -0.143 5.381 1.00 1.44 H new ATOM 509 N ILE A 34 -3.380 -3.257 1.681 1.00 44.45 N ATOM 510 CA ILE A 34 -3.711 -4.188 0.585 1.00 72.11 C ATOM 511 C ILE A 34 -2.455 -4.976 0.171 1.00 12.53 C ATOM 512 O ILE A 34 -2.513 -6.195 0.009 1.00 72.32 O ATOM 513 CB ILE A 34 -4.294 -3.426 -0.671 1.00 75.34 C ATOM 514 CG1 ILE A 34 -5.616 -2.678 -0.313 1.00 22.40 C ATOM 515 CG2 ILE A 34 -4.515 -4.386 -1.868 1.00 52.04 C ATOM 516 CD1 ILE A 34 -6.180 -1.807 -1.430 1.00 22.53 C ATOM 0 H ILE A 34 -3.568 -2.280 1.457 1.00 44.45 H new ATOM 0 HA ILE A 34 -4.476 -4.873 0.951 1.00 72.11 H new ATOM 0 HB ILE A 34 -3.554 -2.684 -0.971 1.00 75.34 H new ATOM 0 HG12 ILE A 34 -6.368 -3.414 -0.030 1.00 22.40 H new ATOM 0 HG13 ILE A 34 -5.438 -2.052 0.562 1.00 22.40 H new ATOM 0 HG21 ILE A 34 -4.917 -3.827 -2.713 1.00 52.04 H new ATOM 0 HG22 ILE A 34 -3.565 -4.839 -2.151 1.00 52.04 H new ATOM 0 HG23 ILE A 34 -5.219 -5.168 -1.582 1.00 52.04 H new ATOM 0 HD11 ILE A 34 -7.098 -1.328 -1.089 1.00 22.53 H new ATOM 0 HD12 ILE A 34 -5.450 -1.043 -1.700 1.00 22.53 H new ATOM 0 HD13 ILE A 34 -6.396 -2.426 -2.301 1.00 22.53 H new ATOM 528 N GLY A 35 -1.330 -4.244 0.045 1.00 41.42 N ATOM 529 CA GLY A 35 -0.054 -4.799 -0.389 1.00 33.32 C ATOM 530 C GLY A 35 0.481 -5.877 0.547 1.00 31.03 C ATOM 531 O GLY A 35 1.008 -6.891 0.092 1.00 51.21 O ATOM 0 H GLY A 35 -1.292 -3.245 0.246 1.00 41.42 H new ATOM 0 HA2 GLY A 35 -0.169 -5.219 -1.388 1.00 33.32 H new ATOM 0 HA3 GLY A 35 0.678 -3.995 -0.463 1.00 33.32 H new ATOM 535 N LEU A 36 0.327 -5.654 1.863 1.00 71.42 N ATOM 536 CA LEU A 36 0.743 -6.621 2.900 1.00 51.25 C ATOM 537 C LEU A 36 0.004 -7.971 2.717 1.00 53.43 C ATOM 538 O LEU A 36 0.606 -9.045 2.848 1.00 64.31 O ATOM 539 CB LEU A 36 0.469 -6.031 4.313 1.00 71.24 C ATOM 540 CG LEU A 36 1.269 -4.740 4.672 1.00 33.33 C ATOM 541 CD1 LEU A 36 0.808 -4.153 6.014 1.00 72.42 C ATOM 542 CD2 LEU A 36 2.791 -5.001 4.680 1.00 65.24 C ATOM 0 H LEU A 36 -0.088 -4.802 2.240 1.00 71.42 H new ATOM 0 HA LEU A 36 1.812 -6.807 2.799 1.00 51.25 H new ATOM 0 HB2 LEU A 36 -0.596 -5.812 4.395 1.00 71.24 H new ATOM 0 HB3 LEU A 36 0.695 -6.795 5.056 1.00 71.24 H new ATOM 0 HG LEU A 36 1.062 -4.005 3.895 1.00 33.33 H new ATOM 0 HD11 LEU A 36 1.384 -3.255 6.235 1.00 72.42 H new ATOM 0 HD12 LEU A 36 -0.251 -3.900 5.956 1.00 72.42 H new ATOM 0 HD13 LEU A 36 0.962 -4.887 6.805 1.00 72.42 H new ATOM 0 HD21 LEU A 36 3.317 -4.080 4.934 1.00 65.24 H new ATOM 0 HD22 LEU A 36 3.025 -5.768 5.419 1.00 65.24 H new ATOM 0 HD23 LEU A 36 3.107 -5.339 3.693 1.00 65.24 H new ATOM 554 N GLU A 37 -1.302 -7.884 2.392 1.00 72.12 N ATOM 555 CA GLU A 37 -2.174 -9.060 2.198 1.00 71.21 C ATOM 556 C GLU A 37 -2.012 -9.694 0.805 1.00 62.24 C ATOM 557 O GLU A 37 -2.234 -10.894 0.650 1.00 60.30 O ATOM 558 CB GLU A 37 -3.649 -8.726 2.531 1.00 3.30 C ATOM 559 CG GLU A 37 -3.825 -8.314 4.009 1.00 32.32 C ATOM 560 CD GLU A 37 -5.237 -8.516 4.560 1.00 22.51 C ATOM 561 OE1 GLU A 37 -5.860 -9.549 4.258 1.00 35.24 O ATOM 562 OE2 GLU A 37 -5.707 -7.678 5.343 1.00 44.12 O ATOM 0 H GLU A 37 -1.782 -6.994 2.256 1.00 72.12 H new ATOM 0 HA GLU A 37 -1.848 -9.821 2.907 1.00 71.21 H new ATOM 0 HB2 GLU A 37 -3.993 -7.918 1.885 1.00 3.30 H new ATOM 0 HB3 GLU A 37 -4.275 -9.593 2.318 1.00 3.30 H new ATOM 0 HG2 GLU A 37 -3.126 -8.886 4.618 1.00 32.32 H new ATOM 0 HG3 GLU A 37 -3.554 -7.263 4.115 1.00 32.32 H new ATOM 569 N LYS A 38 -1.613 -8.896 -0.198 1.00 71.22 N ATOM 570 CA LYS A 38 -1.221 -9.429 -1.519 1.00 54.00 C ATOM 571 C LYS A 38 0.025 -10.315 -1.355 1.00 21.41 C ATOM 572 O LYS A 38 0.121 -11.399 -1.940 1.00 53.10 O ATOM 573 CB LYS A 38 -0.928 -8.273 -2.521 1.00 14.14 C ATOM 574 CG LYS A 38 -2.156 -7.460 -2.968 1.00 10.50 C ATOM 575 CD LYS A 38 -3.145 -8.306 -3.800 1.00 73.41 C ATOM 576 CE LYS A 38 -4.351 -7.497 -4.286 1.00 10.02 C ATOM 577 NZ LYS A 38 -5.217 -8.292 -5.193 1.00 1.15 N ATOM 0 H LYS A 38 -1.552 -7.881 -0.123 1.00 71.22 H new ATOM 0 HA LYS A 38 -2.044 -10.020 -1.920 1.00 54.00 H new ATOM 0 HB2 LYS A 38 -0.209 -7.592 -2.064 1.00 14.14 H new ATOM 0 HB3 LYS A 38 -0.450 -8.694 -3.406 1.00 14.14 H new ATOM 0 HG2 LYS A 38 -2.667 -7.065 -2.090 1.00 10.50 H new ATOM 0 HG3 LYS A 38 -1.828 -6.604 -3.557 1.00 10.50 H new ATOM 0 HD2 LYS A 38 -2.624 -8.725 -4.660 1.00 73.41 H new ATOM 0 HD3 LYS A 38 -3.494 -9.145 -3.199 1.00 73.41 H new ATOM 0 HE2 LYS A 38 -4.934 -7.162 -3.428 1.00 10.02 H new ATOM 0 HE3 LYS A 38 -4.004 -6.603 -4.805 1.00 10.02 H new ATOM 0 HZ1 LYS A 38 -6.209 -8.005 -5.066 1.00 1.15 H new ATOM 0 HZ2 LYS A 38 -4.932 -8.126 -6.179 1.00 1.15 H new ATOM 0 HZ3 LYS A 38 -5.118 -9.303 -4.970 1.00 1.15 H new ATOM 591 N ASN A 39 0.943 -9.836 -0.495 1.00 75.01 N ATOM 592 CA ASN A 39 2.234 -10.482 -0.216 1.00 40.52 C ATOM 593 C ASN A 39 2.034 -11.886 0.399 1.00 13.34 C ATOM 594 O ASN A 39 2.617 -12.863 -0.089 1.00 61.13 O ATOM 595 CB ASN A 39 3.088 -9.561 0.711 1.00 61.12 C ATOM 596 CG ASN A 39 4.558 -9.976 0.854 1.00 70.53 C ATOM 597 OD1 ASN A 39 4.908 -11.145 0.768 1.00 23.20 O ATOM 598 ND2 ASN A 39 5.436 -9.010 1.073 1.00 2.11 N ATOM 0 H ASN A 39 0.804 -8.975 0.033 1.00 75.01 H new ATOM 0 HA ASN A 39 2.772 -10.624 -1.153 1.00 40.52 H new ATOM 0 HB2 ASN A 39 3.049 -8.543 0.324 1.00 61.12 H new ATOM 0 HB3 ASN A 39 2.632 -9.543 1.701 1.00 61.12 H new ATOM 0 HD21 ASN A 39 6.426 -9.234 1.173 1.00 2.11 H new ATOM 0 HD22 ASN A 39 5.123 -8.042 1.141 1.00 2.11 H new ATOM 605 N LYS A 40 1.175 -11.990 1.433 1.00 45.25 N ATOM 606 CA LYS A 40 0.939 -13.275 2.138 1.00 31.54 C ATOM 607 C LYS A 40 0.194 -14.306 1.256 1.00 43.32 C ATOM 608 O LYS A 40 0.238 -15.503 1.546 1.00 1.05 O ATOM 609 CB LYS A 40 0.157 -13.066 3.463 1.00 60.45 C ATOM 610 CG LYS A 40 -1.225 -12.385 3.296 1.00 34.54 C ATOM 611 CD LYS A 40 -2.216 -12.696 4.443 1.00 42.51 C ATOM 612 CE LYS A 40 -2.695 -14.165 4.424 1.00 15.20 C ATOM 613 NZ LYS A 40 -3.593 -14.478 5.568 1.00 64.23 N ATOM 0 H LYS A 40 0.634 -11.207 1.800 1.00 45.25 H new ATOM 0 HA LYS A 40 1.927 -13.675 2.367 1.00 31.54 H new ATOM 0 HB2 LYS A 40 0.015 -14.035 3.942 1.00 60.45 H new ATOM 0 HB3 LYS A 40 0.765 -12.463 4.137 1.00 60.45 H new ATOM 0 HG2 LYS A 40 -1.083 -11.306 3.233 1.00 34.54 H new ATOM 0 HG3 LYS A 40 -1.665 -12.704 2.351 1.00 34.54 H new ATOM 0 HD2 LYS A 40 -1.738 -12.485 5.400 1.00 42.51 H new ATOM 0 HD3 LYS A 40 -3.078 -12.034 4.364 1.00 42.51 H new ATOM 0 HE2 LYS A 40 -3.219 -14.363 3.489 1.00 15.20 H new ATOM 0 HE3 LYS A 40 -1.830 -14.828 4.451 1.00 15.20 H new ATOM 0 HZ1 LYS A 40 -3.889 -15.473 5.514 1.00 64.23 H new ATOM 0 HZ2 LYS A 40 -3.086 -14.315 6.462 1.00 64.23 H new ATOM 0 HZ3 LYS A 40 -4.432 -13.864 5.529 1.00 64.23 H new ATOM 627 N MET A 41 -0.506 -13.835 0.201 1.00 63.40 N ATOM 628 CA MET A 41 -1.202 -14.730 -0.757 1.00 5.33 C ATOM 629 C MET A 41 -0.232 -15.313 -1.800 1.00 14.31 C ATOM 630 O MET A 41 -0.546 -16.316 -2.450 1.00 30.13 O ATOM 631 CB MET A 41 -2.369 -13.982 -1.474 1.00 61.04 C ATOM 632 CG MET A 41 -3.512 -13.557 -0.544 1.00 72.35 C ATOM 633 SD MET A 41 -4.983 -12.963 -1.415 1.00 61.22 S ATOM 634 CE MET A 41 -4.374 -11.510 -2.265 1.00 72.14 C ATOM 0 H MET A 41 -0.606 -12.842 -0.011 1.00 63.40 H new ATOM 0 HA MET A 41 -1.615 -15.557 -0.179 1.00 5.33 H new ATOM 0 HB2 MET A 41 -1.969 -13.096 -1.967 1.00 61.04 H new ATOM 0 HB3 MET A 41 -2.772 -14.626 -2.255 1.00 61.04 H new ATOM 0 HG2 MET A 41 -3.790 -14.403 0.084 1.00 72.35 H new ATOM 0 HG3 MET A 41 -3.153 -12.771 0.121 1.00 72.35 H new ATOM 0 HE1 MET A 41 -5.088 -11.211 -3.032 1.00 72.14 H new ATOM 0 HE2 MET A 41 -4.247 -10.697 -1.550 1.00 72.14 H new ATOM 0 HE3 MET A 41 -3.415 -11.736 -2.731 1.00 72.14 H new ATOM 644 N GLY A 42 0.940 -14.687 -1.949 1.00 22.44 N ATOM 645 CA GLY A 42 1.878 -15.040 -3.024 1.00 4.41 C ATOM 646 C GLY A 42 1.675 -14.180 -4.261 1.00 71.51 C ATOM 647 O GLY A 42 2.367 -14.354 -5.265 1.00 20.35 O ATOM 0 H GLY A 42 1.263 -13.934 -1.341 1.00 22.44 H new ATOM 0 HA2 GLY A 42 2.901 -14.924 -2.665 1.00 4.41 H new ATOM 0 HA3 GLY A 42 1.750 -16.090 -3.287 1.00 4.41 H new ATOM 651 N LYS A 43 0.726 -13.231 -4.170 1.00 14.12 N ATOM 652 CA LYS A 43 0.458 -12.236 -5.215 1.00 41.04 C ATOM 653 C LYS A 43 1.306 -10.990 -4.919 1.00 2.11 C ATOM 654 O LYS A 43 0.816 -9.858 -4.863 1.00 44.42 O ATOM 655 CB LYS A 43 -1.062 -11.917 -5.237 1.00 34.10 C ATOM 656 CG LYS A 43 -1.953 -13.163 -5.422 1.00 1.12 C ATOM 657 CD LYS A 43 -3.442 -12.806 -5.640 1.00 42.35 C ATOM 658 CE LYS A 43 -4.322 -14.043 -5.856 1.00 32.44 C ATOM 659 NZ LYS A 43 -5.716 -13.683 -6.233 1.00 71.14 N ATOM 0 H LYS A 43 0.118 -13.135 -3.357 1.00 14.12 H new ATOM 0 HA LYS A 43 0.728 -12.611 -6.202 1.00 41.04 H new ATOM 0 HB2 LYS A 43 -1.334 -11.421 -4.305 1.00 34.10 H new ATOM 0 HB3 LYS A 43 -1.265 -11.213 -6.044 1.00 34.10 H new ATOM 0 HG2 LYS A 43 -1.593 -13.738 -6.275 1.00 1.12 H new ATOM 0 HG3 LYS A 43 -1.862 -13.803 -4.544 1.00 1.12 H new ATOM 0 HD2 LYS A 43 -3.808 -12.251 -4.776 1.00 42.35 H new ATOM 0 HD3 LYS A 43 -3.531 -12.147 -6.504 1.00 42.35 H new ATOM 0 HE2 LYS A 43 -3.885 -14.665 -6.637 1.00 32.44 H new ATOM 0 HE3 LYS A 43 -4.337 -14.640 -4.944 1.00 32.44 H new ATOM 0 HZ1 LYS A 43 -6.274 -14.550 -6.369 1.00 71.14 H new ATOM 0 HZ2 LYS A 43 -6.143 -13.111 -5.477 1.00 71.14 H new ATOM 0 HZ3 LYS A 43 -5.706 -13.136 -7.117 1.00 71.14 H new ATOM 673 N VAL A 44 2.611 -11.233 -4.776 1.00 55.20 N ATOM 674 CA VAL A 44 3.584 -10.242 -4.297 1.00 12.31 C ATOM 675 C VAL A 44 3.931 -9.230 -5.409 1.00 44.14 C ATOM 676 O VAL A 44 4.403 -8.140 -5.113 1.00 60.41 O ATOM 677 CB VAL A 44 4.882 -10.915 -3.705 1.00 41.10 C ATOM 678 CG1 VAL A 44 5.712 -9.918 -2.857 1.00 2.21 C ATOM 679 CG2 VAL A 44 4.531 -12.172 -2.883 1.00 21.42 C ATOM 0 H VAL A 44 3.030 -12.137 -4.993 1.00 55.20 H new ATOM 0 HA VAL A 44 3.114 -9.698 -3.478 1.00 12.31 H new ATOM 0 HB VAL A 44 5.499 -11.221 -4.550 1.00 41.10 H new ATOM 0 HG11 VAL A 44 6.597 -10.421 -2.468 1.00 2.21 H new ATOM 0 HG12 VAL A 44 6.017 -9.077 -3.479 1.00 2.21 H new ATOM 0 HG13 VAL A 44 5.106 -9.554 -2.027 1.00 2.21 H new ATOM 0 HG21 VAL A 44 5.445 -12.615 -2.487 1.00 21.42 H new ATOM 0 HG22 VAL A 44 3.875 -11.896 -2.058 1.00 21.42 H new ATOM 0 HG23 VAL A 44 4.025 -12.895 -3.522 1.00 21.42 H new ATOM 689 N LYS A 45 3.721 -9.616 -6.690 1.00 52.43 N ATOM 690 CA LYS A 45 3.862 -8.685 -7.838 1.00 61.03 C ATOM 691 C LYS A 45 2.915 -7.475 -7.663 1.00 34.01 C ATOM 692 O LYS A 45 3.323 -6.321 -7.852 1.00 3.02 O ATOM 693 CB LYS A 45 3.582 -9.387 -9.204 1.00 61.43 C ATOM 694 CG LYS A 45 4.702 -10.312 -9.731 1.00 43.21 C ATOM 695 CD LYS A 45 4.893 -11.609 -8.911 1.00 4.43 C ATOM 696 CE LYS A 45 5.954 -12.535 -9.530 1.00 53.33 C ATOM 697 NZ LYS A 45 6.099 -13.812 -8.788 1.00 43.42 N ATOM 0 H LYS A 45 3.454 -10.564 -6.955 1.00 52.43 H new ATOM 0 HA LYS A 45 4.896 -8.342 -7.851 1.00 61.03 H new ATOM 0 HB2 LYS A 45 2.668 -9.974 -9.108 1.00 61.43 H new ATOM 0 HB3 LYS A 45 3.390 -8.618 -9.953 1.00 61.43 H new ATOM 0 HG2 LYS A 45 4.481 -10.578 -10.765 1.00 43.21 H new ATOM 0 HG3 LYS A 45 5.641 -9.759 -9.738 1.00 43.21 H new ATOM 0 HD2 LYS A 45 5.185 -11.354 -7.893 1.00 4.43 H new ATOM 0 HD3 LYS A 45 3.943 -12.139 -8.846 1.00 4.43 H new ATOM 0 HE2 LYS A 45 5.686 -12.749 -10.565 1.00 53.33 H new ATOM 0 HE3 LYS A 45 6.914 -12.019 -9.550 1.00 53.33 H new ATOM 0 HZ1 LYS A 45 6.825 -14.399 -9.246 1.00 43.42 H new ATOM 0 HZ2 LYS A 45 6.382 -13.613 -7.807 1.00 43.42 H new ATOM 0 HZ3 LYS A 45 5.191 -14.320 -8.791 1.00 43.42 H new ATOM 711 N GLU A 46 1.647 -7.771 -7.283 1.00 12.15 N ATOM 712 CA GLU A 46 0.650 -6.738 -6.935 1.00 11.14 C ATOM 713 C GLU A 46 1.117 -5.943 -5.706 1.00 61.41 C ATOM 714 O GLU A 46 1.061 -4.717 -5.710 1.00 43.22 O ATOM 715 CB GLU A 46 -0.749 -7.354 -6.664 1.00 63.22 C ATOM 716 CG GLU A 46 -1.395 -8.043 -7.878 1.00 21.21 C ATOM 717 CD GLU A 46 -2.820 -8.536 -7.582 1.00 3.21 C ATOM 718 OE1 GLU A 46 -3.778 -7.742 -7.736 1.00 64.30 O ATOM 719 OE2 GLU A 46 -2.996 -9.700 -7.161 1.00 61.41 O ATOM 0 H GLU A 46 1.293 -8.725 -7.211 1.00 12.15 H new ATOM 0 HA GLU A 46 0.560 -6.068 -7.790 1.00 11.14 H new ATOM 0 HB2 GLU A 46 -0.661 -8.080 -5.856 1.00 63.22 H new ATOM 0 HB3 GLU A 46 -1.416 -6.566 -6.313 1.00 63.22 H new ATOM 0 HG2 GLU A 46 -1.421 -7.347 -8.716 1.00 21.21 H new ATOM 0 HG3 GLU A 46 -0.778 -8.887 -8.184 1.00 21.21 H new ATOM 726 N ALA A 47 1.605 -6.679 -4.674 1.00 10.54 N ATOM 727 CA ALA A 47 2.081 -6.102 -3.400 1.00 34.03 C ATOM 728 C ALA A 47 3.146 -5.027 -3.626 1.00 24.24 C ATOM 729 O ALA A 47 3.077 -3.959 -3.023 1.00 21.33 O ATOM 730 CB ALA A 47 2.646 -7.198 -2.491 1.00 43.01 C ATOM 0 H ALA A 47 1.678 -7.696 -4.708 1.00 10.54 H new ATOM 0 HA ALA A 47 1.222 -5.635 -2.918 1.00 34.03 H new ATOM 0 HB1 ALA A 47 2.992 -6.754 -1.557 1.00 43.01 H new ATOM 0 HB2 ALA A 47 1.868 -7.931 -2.278 1.00 43.01 H new ATOM 0 HB3 ALA A 47 3.481 -7.690 -2.990 1.00 43.01 H new ATOM 736 N ILE A 48 4.089 -5.327 -4.542 1.00 65.14 N ATOM 737 CA ILE A 48 5.158 -4.413 -4.959 1.00 12.21 C ATOM 738 C ILE A 48 4.556 -3.109 -5.488 1.00 70.24 C ATOM 739 O ILE A 48 4.891 -2.032 -5.000 1.00 10.50 O ATOM 740 CB ILE A 48 6.077 -5.097 -6.052 1.00 64.10 C ATOM 741 CG1 ILE A 48 6.922 -6.242 -5.411 1.00 14.21 C ATOM 742 CG2 ILE A 48 6.988 -4.079 -6.782 1.00 11.23 C ATOM 743 CD1 ILE A 48 7.730 -7.063 -6.404 1.00 62.01 C ATOM 0 H ILE A 48 4.125 -6.229 -5.018 1.00 65.14 H new ATOM 0 HA ILE A 48 5.780 -4.180 -4.095 1.00 12.21 H new ATOM 0 HB ILE A 48 5.418 -5.524 -6.808 1.00 64.10 H new ATOM 0 HG12 ILE A 48 7.603 -5.807 -4.679 1.00 14.21 H new ATOM 0 HG13 ILE A 48 6.253 -6.909 -4.867 1.00 14.21 H new ATOM 0 HG21 ILE A 48 7.597 -4.600 -7.521 1.00 11.23 H new ATOM 0 HG22 ILE A 48 6.371 -3.332 -7.282 1.00 11.23 H new ATOM 0 HG23 ILE A 48 7.638 -3.587 -6.058 1.00 11.23 H new ATOM 0 HD11 ILE A 48 8.286 -7.835 -5.871 1.00 62.01 H new ATOM 0 HD12 ILE A 48 7.057 -7.531 -7.122 1.00 62.01 H new ATOM 0 HD13 ILE A 48 8.428 -6.412 -6.931 1.00 62.01 H new ATOM 755 N GLU A 49 3.618 -3.241 -6.444 1.00 0.23 N ATOM 756 CA GLU A 49 2.959 -2.091 -7.075 1.00 63.44 C ATOM 757 C GLU A 49 2.115 -1.294 -6.065 1.00 75.02 C ATOM 758 O GLU A 49 2.035 -0.086 -6.178 1.00 72.10 O ATOM 759 CB GLU A 49 2.104 -2.535 -8.288 1.00 20.54 C ATOM 760 CG GLU A 49 2.948 -3.098 -9.449 1.00 50.33 C ATOM 761 CD GLU A 49 2.133 -3.306 -10.731 1.00 52.21 C ATOM 762 OE1 GLU A 49 1.781 -2.300 -11.381 1.00 43.42 O ATOM 763 OE2 GLU A 49 1.819 -4.455 -11.083 1.00 0.11 O ATOM 0 H GLU A 49 3.300 -4.144 -6.797 1.00 0.23 H new ATOM 0 HA GLU A 49 3.743 -1.427 -7.440 1.00 63.44 H new ATOM 0 HB2 GLU A 49 1.391 -3.293 -7.964 1.00 20.54 H new ATOM 0 HB3 GLU A 49 1.524 -1.685 -8.647 1.00 20.54 H new ATOM 0 HG2 GLU A 49 3.773 -2.417 -9.655 1.00 50.33 H new ATOM 0 HG3 GLU A 49 3.387 -4.048 -9.145 1.00 50.33 H new ATOM 770 N TYR A 50 1.540 -1.972 -5.056 1.00 12.32 N ATOM 771 CA TYR A 50 0.740 -1.311 -4.006 1.00 51.12 C ATOM 772 C TYR A 50 1.634 -0.522 -3.047 1.00 62.12 C ATOM 773 O TYR A 50 1.239 0.547 -2.585 1.00 4.23 O ATOM 774 CB TYR A 50 -0.135 -2.332 -3.237 1.00 44.41 C ATOM 775 CG TYR A 50 -1.436 -2.684 -3.966 1.00 64.10 C ATOM 776 CD1 TYR A 50 -2.451 -1.734 -4.098 1.00 21.43 C ATOM 777 CD2 TYR A 50 -1.640 -3.938 -4.541 1.00 34.34 C ATOM 778 CE1 TYR A 50 -3.616 -2.028 -4.769 1.00 72.01 C ATOM 779 CE2 TYR A 50 -2.802 -4.234 -5.218 1.00 44.34 C ATOM 780 CZ TYR A 50 -3.787 -3.279 -5.327 1.00 74.14 C ATOM 781 OH TYR A 50 -4.949 -3.572 -6.002 1.00 25.42 O ATOM 0 H TYR A 50 1.614 -2.983 -4.944 1.00 12.32 H new ATOM 0 HA TYR A 50 0.070 -0.605 -4.498 1.00 51.12 H new ATOM 0 HB2 TYR A 50 0.440 -3.243 -3.074 1.00 44.41 H new ATOM 0 HB3 TYR A 50 -0.375 -1.927 -2.254 1.00 44.41 H new ATOM 0 HD1 TYR A 50 -2.320 -0.753 -3.667 1.00 21.43 H new ATOM 0 HD2 TYR A 50 -0.872 -4.692 -4.454 1.00 34.34 H new ATOM 0 HE1 TYR A 50 -4.393 -1.283 -4.859 1.00 72.01 H new ATOM 0 HE2 TYR A 50 -2.940 -5.209 -5.661 1.00 44.34 H new ATOM 0 HH TYR A 50 -4.911 -4.493 -6.335 1.00 25.42 H new ATOM 791 N PHE A 51 2.837 -1.055 -2.766 1.00 70.32 N ATOM 792 CA PHE A 51 3.844 -0.356 -1.949 1.00 73.43 C ATOM 793 C PHE A 51 4.455 0.808 -2.752 1.00 62.04 C ATOM 794 O PHE A 51 4.873 1.798 -2.174 1.00 30.12 O ATOM 795 CB PHE A 51 4.972 -1.316 -1.492 1.00 15.22 C ATOM 796 CG PHE A 51 4.557 -2.493 -0.607 1.00 65.44 C ATOM 797 CD1 PHE A 51 3.550 -2.372 0.354 1.00 13.44 C ATOM 798 CD2 PHE A 51 5.206 -3.728 -0.729 1.00 11.22 C ATOM 799 CE1 PHE A 51 3.201 -3.446 1.153 1.00 31.34 C ATOM 800 CE2 PHE A 51 4.854 -4.800 0.067 1.00 35.41 C ATOM 801 CZ PHE A 51 3.854 -4.660 1.009 1.00 12.51 C ATOM 0 H PHE A 51 3.136 -1.973 -3.095 1.00 70.32 H new ATOM 0 HA PHE A 51 3.343 0.029 -1.061 1.00 73.43 H new ATOM 0 HB2 PHE A 51 5.460 -1.715 -2.381 1.00 15.22 H new ATOM 0 HB3 PHE A 51 5.718 -0.732 -0.953 1.00 15.22 H new ATOM 0 HD1 PHE A 51 3.038 -1.429 0.474 1.00 13.44 H new ATOM 0 HD2 PHE A 51 5.995 -3.844 -1.458 1.00 11.22 H new ATOM 0 HE1 PHE A 51 2.419 -3.338 1.890 1.00 31.34 H new ATOM 0 HE2 PHE A 51 5.360 -5.747 -0.047 1.00 35.41 H new ATOM 0 HZ PHE A 51 3.581 -5.497 1.634 1.00 12.51 H new ATOM 811 N LEU A 52 4.499 0.661 -4.094 1.00 31.04 N ATOM 812 CA LEU A 52 5.034 1.696 -5.009 1.00 21.41 C ATOM 813 C LEU A 52 4.056 2.874 -5.113 1.00 61.43 C ATOM 814 O LEU A 52 4.473 4.035 -5.075 1.00 4.01 O ATOM 815 CB LEU A 52 5.303 1.104 -6.425 1.00 50.31 C ATOM 816 CG LEU A 52 6.540 0.165 -6.569 1.00 51.31 C ATOM 817 CD1 LEU A 52 6.590 -0.478 -7.970 1.00 5.33 C ATOM 818 CD2 LEU A 52 7.849 0.918 -6.267 1.00 54.43 C ATOM 0 H LEU A 52 4.166 -0.175 -4.574 1.00 31.04 H new ATOM 0 HA LEU A 52 5.979 2.052 -4.598 1.00 21.41 H new ATOM 0 HB2 LEU A 52 4.417 0.550 -6.736 1.00 50.31 H new ATOM 0 HB3 LEU A 52 5.422 1.933 -7.123 1.00 50.31 H new ATOM 0 HG LEU A 52 6.434 -0.634 -5.835 1.00 51.31 H new ATOM 0 HD11 LEU A 52 7.463 -1.127 -8.041 1.00 5.33 H new ATOM 0 HD12 LEU A 52 5.686 -1.065 -8.133 1.00 5.33 H new ATOM 0 HD13 LEU A 52 6.656 0.304 -8.727 1.00 5.33 H new ATOM 0 HD21 LEU A 52 8.694 0.238 -6.376 1.00 54.43 H new ATOM 0 HD22 LEU A 52 7.960 1.748 -6.964 1.00 54.43 H new ATOM 0 HD23 LEU A 52 7.821 1.302 -5.247 1.00 54.43 H new ATOM 830 N ARG A 53 2.752 2.548 -5.259 1.00 33.13 N ATOM 831 CA ARG A 53 1.667 3.545 -5.343 1.00 11.11 C ATOM 832 C ARG A 53 1.543 4.276 -4.003 1.00 71.03 C ATOM 833 O ARG A 53 1.466 5.501 -3.977 1.00 65.11 O ATOM 834 CB ARG A 53 0.321 2.865 -5.738 1.00 64.35 C ATOM 835 CG ARG A 53 0.325 2.244 -7.152 1.00 75.12 C ATOM 836 CD ARG A 53 -0.899 1.353 -7.435 1.00 73.32 C ATOM 837 NE ARG A 53 -2.147 2.126 -7.607 1.00 15.01 N ATOM 838 CZ ARG A 53 -2.954 2.076 -8.688 1.00 0.24 C ATOM 839 NH1 ARG A 53 -2.666 1.282 -9.724 1.00 42.31 N ATOM 840 NH2 ARG A 53 -4.038 2.838 -8.740 1.00 61.40 N ATOM 0 H ARG A 53 2.424 1.584 -5.322 1.00 33.13 H new ATOM 0 HA ARG A 53 1.907 4.271 -6.120 1.00 11.11 H new ATOM 0 HB2 ARG A 53 0.091 2.086 -5.011 1.00 64.35 H new ATOM 0 HB3 ARG A 53 -0.479 3.603 -5.678 1.00 64.35 H new ATOM 0 HG2 ARG A 53 0.361 3.044 -7.891 1.00 75.12 H new ATOM 0 HG3 ARG A 53 1.232 1.653 -7.278 1.00 75.12 H new ATOM 0 HD2 ARG A 53 -0.714 0.766 -8.335 1.00 73.32 H new ATOM 0 HD3 ARG A 53 -1.025 0.647 -6.614 1.00 73.32 H new ATOM 0 HE ARG A 53 -2.421 2.748 -6.847 1.00 15.01 H new ATOM 0 HH11 ARG A 53 -1.827 0.703 -9.705 1.00 42.31 H new ATOM 0 HH12 ARG A 53 -3.286 1.255 -10.534 1.00 42.31 H new ATOM 0 HH21 ARG A 53 -4.261 3.461 -7.964 1.00 61.40 H new ATOM 0 HH22 ARG A 53 -4.649 2.801 -9.556 1.00 61.40 H new ATOM 854 N ALA A 54 1.586 3.498 -2.899 1.00 71.01 N ATOM 855 CA ALA A 54 1.538 4.028 -1.528 1.00 55.43 C ATOM 856 C ALA A 54 2.694 5.002 -1.277 1.00 13.21 C ATOM 857 O ALA A 54 2.461 6.145 -0.868 1.00 75.43 O ATOM 858 CB ALA A 54 1.589 2.875 -0.519 1.00 43.35 C ATOM 0 H ALA A 54 1.655 2.481 -2.939 1.00 71.01 H new ATOM 0 HA ALA A 54 0.602 4.572 -1.402 1.00 55.43 H new ATOM 0 HB1 ALA A 54 1.553 3.276 0.494 1.00 43.35 H new ATOM 0 HB2 ALA A 54 0.737 2.214 -0.678 1.00 43.35 H new ATOM 0 HB3 ALA A 54 2.514 2.314 -0.654 1.00 43.35 H new ATOM 864 N LYS A 55 3.921 4.542 -1.598 1.00 15.44 N ATOM 865 CA LYS A 55 5.156 5.316 -1.439 1.00 12.02 C ATOM 866 C LYS A 55 5.082 6.630 -2.223 1.00 53.30 C ATOM 867 O LYS A 55 5.397 7.681 -1.680 1.00 4.34 O ATOM 868 CB LYS A 55 6.369 4.475 -1.920 1.00 62.42 C ATOM 869 CG LYS A 55 7.714 5.223 -1.872 1.00 63.52 C ATOM 870 CD LYS A 55 8.886 4.413 -2.455 1.00 54.31 C ATOM 871 CE LYS A 55 10.200 5.208 -2.393 1.00 14.31 C ATOM 872 NZ LYS A 55 10.119 6.504 -3.134 1.00 21.30 N ATOM 0 H LYS A 55 4.077 3.609 -1.980 1.00 15.44 H new ATOM 0 HA LYS A 55 5.280 5.557 -0.383 1.00 12.02 H new ATOM 0 HB2 LYS A 55 6.442 3.579 -1.304 1.00 62.42 H new ATOM 0 HB3 LYS A 55 6.186 4.145 -2.943 1.00 62.42 H new ATOM 0 HG2 LYS A 55 7.620 6.159 -2.422 1.00 63.52 H new ATOM 0 HG3 LYS A 55 7.940 5.482 -0.838 1.00 63.52 H new ATOM 0 HD2 LYS A 55 8.997 3.480 -1.902 1.00 54.31 H new ATOM 0 HD3 LYS A 55 8.668 4.147 -3.489 1.00 54.31 H new ATOM 0 HE2 LYS A 55 10.454 5.404 -1.351 1.00 14.31 H new ATOM 0 HE3 LYS A 55 11.006 4.604 -2.810 1.00 14.31 H new ATOM 0 HZ1 LYS A 55 11.063 6.938 -3.178 1.00 21.30 H new ATOM 0 HZ2 LYS A 55 9.772 6.331 -4.099 1.00 21.30 H new ATOM 0 HZ3 LYS A 55 9.466 7.146 -2.641 1.00 21.30 H new ATOM 886 N LYS A 56 4.610 6.535 -3.481 1.00 34.41 N ATOM 887 CA LYS A 56 4.521 7.676 -4.408 1.00 10.23 C ATOM 888 C LYS A 56 3.619 8.778 -3.838 1.00 72.13 C ATOM 889 O LYS A 56 3.912 9.974 -3.982 1.00 41.24 O ATOM 890 CB LYS A 56 3.990 7.199 -5.786 1.00 62.45 C ATOM 891 CG LYS A 56 3.903 8.294 -6.879 1.00 34.22 C ATOM 892 CD LYS A 56 5.269 8.915 -7.250 1.00 42.30 C ATOM 893 CE LYS A 56 6.227 7.910 -7.911 1.00 51.21 C ATOM 894 NZ LYS A 56 5.673 7.349 -9.173 1.00 74.11 N ATOM 0 H LYS A 56 4.278 5.658 -3.883 1.00 34.41 H new ATOM 0 HA LYS A 56 5.519 8.093 -4.538 1.00 10.23 H new ATOM 0 HB2 LYS A 56 4.635 6.399 -6.148 1.00 62.45 H new ATOM 0 HB3 LYS A 56 2.998 6.770 -5.646 1.00 62.45 H new ATOM 0 HG2 LYS A 56 3.454 7.865 -7.775 1.00 34.22 H new ATOM 0 HG3 LYS A 56 3.236 9.085 -6.536 1.00 34.22 H new ATOM 0 HD2 LYS A 56 5.108 9.754 -7.927 1.00 42.30 H new ATOM 0 HD3 LYS A 56 5.736 9.316 -6.350 1.00 42.30 H new ATOM 0 HE2 LYS A 56 7.177 8.401 -8.120 1.00 51.21 H new ATOM 0 HE3 LYS A 56 6.435 7.097 -7.215 1.00 51.21 H new ATOM 0 HZ1 LYS A 56 6.413 6.812 -9.668 1.00 74.11 H new ATOM 0 HZ2 LYS A 56 4.876 6.718 -8.952 1.00 74.11 H new ATOM 0 HZ3 LYS A 56 5.342 8.125 -9.782 1.00 74.11 H new ATOM 908 N VAL A 57 2.526 8.355 -3.173 1.00 15.14 N ATOM 909 CA VAL A 57 1.609 9.284 -2.521 1.00 64.34 C ATOM 910 C VAL A 57 2.301 9.935 -1.302 1.00 2.30 C ATOM 911 O VAL A 57 2.229 11.144 -1.143 1.00 13.21 O ATOM 912 CB VAL A 57 0.259 8.600 -2.096 1.00 52.43 C ATOM 913 CG1 VAL A 57 -0.696 9.639 -1.495 1.00 74.02 C ATOM 914 CG2 VAL A 57 -0.417 7.884 -3.291 1.00 61.31 C ATOM 0 H VAL A 57 2.265 7.374 -3.079 1.00 15.14 H new ATOM 0 HA VAL A 57 1.351 10.055 -3.247 1.00 64.34 H new ATOM 0 HB VAL A 57 0.491 7.847 -1.343 1.00 52.43 H new ATOM 0 HG11 VAL A 57 -1.627 9.152 -1.205 1.00 74.02 H new ATOM 0 HG12 VAL A 57 -0.235 10.093 -0.618 1.00 74.02 H new ATOM 0 HG13 VAL A 57 -0.906 10.411 -2.235 1.00 74.02 H new ATOM 0 HG21 VAL A 57 -1.347 7.423 -2.960 1.00 61.31 H new ATOM 0 HG22 VAL A 57 -0.631 8.609 -4.076 1.00 61.31 H new ATOM 0 HG23 VAL A 57 0.251 7.115 -3.680 1.00 61.31 H new ATOM 924 N PHE A 58 3.024 9.124 -0.490 1.00 43.21 N ATOM 925 CA PHE A 58 3.791 9.629 0.684 1.00 34.15 C ATOM 926 C PHE A 58 4.940 10.575 0.257 1.00 73.13 C ATOM 927 O PHE A 58 5.346 11.446 1.031 1.00 30.13 O ATOM 928 CB PHE A 58 4.366 8.462 1.535 1.00 42.12 C ATOM 929 CG PHE A 58 3.325 7.618 2.277 1.00 51.05 C ATOM 930 CD1 PHE A 58 2.484 8.197 3.228 1.00 51.42 C ATOM 931 CD2 PHE A 58 3.209 6.245 2.047 1.00 65.10 C ATOM 932 CE1 PHE A 58 1.562 7.425 3.914 1.00 63.30 C ATOM 933 CE2 PHE A 58 2.291 5.479 2.734 1.00 51.03 C ATOM 934 CZ PHE A 58 1.468 6.069 3.667 1.00 75.22 C ATOM 0 H PHE A 58 3.094 8.115 -0.624 1.00 43.21 H new ATOM 0 HA PHE A 58 3.086 10.194 1.293 1.00 34.15 H new ATOM 0 HB2 PHE A 58 4.942 7.807 0.881 1.00 42.12 H new ATOM 0 HB3 PHE A 58 5.062 8.875 2.265 1.00 42.12 H new ATOM 0 HD1 PHE A 58 2.553 9.256 3.431 1.00 51.42 H new ATOM 0 HD2 PHE A 58 3.851 5.774 1.317 1.00 65.10 H new ATOM 0 HE1 PHE A 58 0.914 7.885 4.645 1.00 63.30 H new ATOM 0 HE2 PHE A 58 2.218 4.419 2.541 1.00 51.03 H new ATOM 0 HZ PHE A 58 0.748 5.471 4.206 1.00 75.22 H new ATOM 944 N ASP A 59 5.454 10.389 -0.981 1.00 64.25 N ATOM 945 CA ASP A 59 6.476 11.277 -1.582 1.00 2.44 C ATOM 946 C ASP A 59 5.849 12.656 -1.898 1.00 23.50 C ATOM 947 O ASP A 59 6.513 13.698 -1.786 1.00 44.44 O ATOM 948 CB ASP A 59 7.094 10.663 -2.882 1.00 54.35 C ATOM 949 CG ASP A 59 7.935 9.379 -2.662 1.00 54.11 C ATOM 950 OD1 ASP A 59 8.787 9.359 -1.751 1.00 34.03 O ATOM 951 OD2 ASP A 59 7.797 8.406 -3.435 1.00 1.30 O ATOM 0 H ASP A 59 5.173 9.621 -1.590 1.00 64.25 H new ATOM 0 HA ASP A 59 7.282 11.393 -0.858 1.00 2.44 H new ATOM 0 HB2 ASP A 59 6.287 10.436 -3.578 1.00 54.35 H new ATOM 0 HB3 ASP A 59 7.723 11.415 -3.358 1.00 54.35 H new ATOM 956 N ALA A 60 4.560 12.640 -2.302 1.00 35.43 N ATOM 957 CA ALA A 60 3.751 13.859 -2.537 1.00 43.43 C ATOM 958 C ALA A 60 3.366 14.534 -1.201 1.00 34.11 C ATOM 959 O ALA A 60 3.363 15.766 -1.094 1.00 22.24 O ATOM 960 CB ALA A 60 2.492 13.520 -3.371 1.00 51.22 C ATOM 0 H ALA A 60 4.047 11.776 -2.476 1.00 35.43 H new ATOM 0 HA ALA A 60 4.356 14.567 -3.104 1.00 43.43 H new ATOM 0 HB1 ALA A 60 1.909 14.426 -3.534 1.00 51.22 H new ATOM 0 HB2 ALA A 60 2.794 13.104 -4.332 1.00 51.22 H new ATOM 0 HB3 ALA A 60 1.886 12.790 -2.834 1.00 51.22 H new ATOM 966 N GLU A 61 3.095 13.701 -0.177 1.00 13.41 N ATOM 967 CA GLU A 61 2.723 14.154 1.180 1.00 0.10 C ATOM 968 C GLU A 61 3.957 14.656 1.958 1.00 72.33 C ATOM 969 O GLU A 61 3.815 15.331 2.980 1.00 54.34 O ATOM 970 CB GLU A 61 2.061 12.974 1.958 1.00 42.03 C ATOM 971 CG GLU A 61 0.786 12.409 1.312 1.00 45.32 C ATOM 972 CD GLU A 61 -0.349 13.431 1.225 1.00 62.03 C ATOM 973 OE1 GLU A 61 -1.017 13.655 2.249 1.00 54.13 O ATOM 974 OE2 GLU A 61 -0.582 14.014 0.143 1.00 24.44 O ATOM 0 H GLU A 61 3.128 12.686 -0.268 1.00 13.41 H new ATOM 0 HA GLU A 61 2.019 14.981 1.085 1.00 0.10 H new ATOM 0 HB2 GLU A 61 2.789 12.169 2.056 1.00 42.03 H new ATOM 0 HB3 GLU A 61 1.821 13.312 2.966 1.00 42.03 H new ATOM 0 HG2 GLU A 61 1.022 12.052 0.310 1.00 45.32 H new ATOM 0 HG3 GLU A 61 0.447 11.547 1.886 1.00 45.32 H new ATOM 981 N HIS A 62 5.166 14.301 1.444 1.00 51.40 N ATOM 982 CA HIS A 62 6.471 14.617 2.067 1.00 4.43 C ATOM 983 C HIS A 62 6.652 13.885 3.410 1.00 11.04 C ATOM 984 O HIS A 62 7.480 14.285 4.232 1.00 25.14 O ATOM 985 CB HIS A 62 6.681 16.154 2.216 1.00 52.21 C ATOM 986 CG HIS A 62 6.583 16.907 0.917 1.00 53.43 C ATOM 987 ND1 HIS A 62 5.752 17.986 0.728 1.00 33.11 N ATOM 988 CD2 HIS A 62 7.227 16.729 -0.254 1.00 54.30 C ATOM 989 CE1 HIS A 62 5.896 18.438 -0.498 1.00 22.52 C ATOM 990 NE2 HIS A 62 6.786 17.693 -1.114 1.00 33.13 N ATOM 0 H HIS A 62 5.257 13.780 0.572 1.00 51.40 H new ATOM 0 HA HIS A 62 7.246 14.251 1.394 1.00 4.43 H new ATOM 0 HB2 HIS A 62 5.939 16.547 2.911 1.00 52.21 H new ATOM 0 HB3 HIS A 62 7.660 16.337 2.659 1.00 52.21 H new ATOM 0 HD2 HIS A 62 7.958 15.964 -0.472 1.00 54.30 H new ATOM 0 HE1 HIS A 62 5.372 19.279 -0.926 1.00 22.52 H new ATOM 0 HE2 HIS A 62 7.097 17.815 -2.078 1.00 33.13 H new ATOM 999 N ASP A 63 5.896 12.792 3.603 1.00 3.01 N ATOM 1000 CA ASP A 63 6.082 11.871 4.738 1.00 42.34 C ATOM 1001 C ASP A 63 7.194 10.871 4.385 1.00 65.41 C ATOM 1002 O ASP A 63 6.927 9.808 3.813 1.00 13.43 O ATOM 1003 CB ASP A 63 4.749 11.146 5.098 1.00 45.21 C ATOM 1004 CG ASP A 63 3.746 12.080 5.794 1.00 51.54 C ATOM 1005 OD1 ASP A 63 3.191 12.981 5.130 1.00 13.23 O ATOM 1006 OD2 ASP A 63 3.550 11.952 7.026 1.00 32.13 O ATOM 0 H ASP A 63 5.138 12.521 2.977 1.00 3.01 H new ATOM 0 HA ASP A 63 6.378 12.435 5.622 1.00 42.34 H new ATOM 0 HB2 ASP A 63 4.299 10.746 4.190 1.00 45.21 H new ATOM 0 HB3 ASP A 63 4.964 10.298 5.748 1.00 45.21 H new ATOM 1011 N THR A 64 8.452 11.263 4.689 1.00 14.43 N ATOM 1012 CA THR A 64 9.658 10.442 4.434 1.00 54.23 C ATOM 1013 C THR A 64 9.596 9.096 5.182 1.00 35.23 C ATOM 1014 O THR A 64 10.094 8.079 4.692 1.00 50.54 O ATOM 1015 CB THR A 64 10.966 11.227 4.815 1.00 34.21 C ATOM 1016 OG1 THR A 64 12.134 10.445 4.530 1.00 23.12 O ATOM 1017 CG2 THR A 64 10.994 11.679 6.292 1.00 5.30 C ATOM 0 H THR A 64 8.660 12.163 5.121 1.00 14.43 H new ATOM 0 HA THR A 64 9.685 10.228 3.366 1.00 54.23 H new ATOM 0 HB THR A 64 10.965 12.126 4.199 1.00 34.21 H new ATOM 0 HG1 THR A 64 12.880 11.040 4.306 1.00 23.12 H new ATOM 0 HG21 THR A 64 11.922 12.215 6.491 1.00 5.30 H new ATOM 0 HG22 THR A 64 10.147 12.336 6.488 1.00 5.30 H new ATOM 0 HG23 THR A 64 10.933 10.805 6.941 1.00 5.30 H new ATOM 1025 N ASP A 65 8.948 9.113 6.365 1.00 61.51 N ATOM 1026 CA ASP A 65 8.691 7.919 7.179 1.00 71.52 C ATOM 1027 C ASP A 65 7.842 6.904 6.391 1.00 22.22 C ATOM 1028 O ASP A 65 8.232 5.746 6.286 1.00 14.54 O ATOM 1029 CB ASP A 65 7.987 8.317 8.514 1.00 43.41 C ATOM 1030 CG ASP A 65 7.394 7.119 9.284 1.00 23.54 C ATOM 1031 OD1 ASP A 65 8.163 6.242 9.725 1.00 72.23 O ATOM 1032 OD2 ASP A 65 6.163 7.046 9.454 1.00 63.32 O ATOM 0 H ASP A 65 8.586 9.970 6.782 1.00 61.51 H new ATOM 0 HA ASP A 65 9.643 7.448 7.422 1.00 71.52 H new ATOM 0 HB2 ASP A 65 8.705 8.829 9.154 1.00 43.41 H new ATOM 0 HB3 ASP A 65 7.190 9.028 8.296 1.00 43.41 H new ATOM 1037 N GLY A 66 6.703 7.371 5.826 1.00 4.44 N ATOM 1038 CA GLY A 66 5.773 6.499 5.094 1.00 42.03 C ATOM 1039 C GLY A 66 6.336 5.998 3.768 1.00 63.24 C ATOM 1040 O GLY A 66 6.091 4.848 3.384 1.00 10.33 O ATOM 0 H GLY A 66 6.412 8.348 5.867 1.00 4.44 H new ATOM 0 HA2 GLY A 66 5.519 5.643 5.720 1.00 42.03 H new ATOM 0 HA3 GLY A 66 4.847 7.043 4.906 1.00 42.03 H new ATOM 1044 N ALA A 67 7.088 6.870 3.073 1.00 31.41 N ATOM 1045 CA ALA A 67 7.707 6.541 1.779 1.00 71.24 C ATOM 1046 C ALA A 67 8.749 5.424 1.944 1.00 1.43 C ATOM 1047 O ALA A 67 8.741 4.429 1.212 1.00 63.04 O ATOM 1048 CB ALA A 67 8.345 7.798 1.182 1.00 63.45 C ATOM 0 H ALA A 67 7.283 7.819 3.392 1.00 31.41 H new ATOM 0 HA ALA A 67 6.937 6.178 1.098 1.00 71.24 H new ATOM 0 HB1 ALA A 67 8.803 7.553 0.224 1.00 63.45 H new ATOM 0 HB2 ALA A 67 7.579 8.560 1.034 1.00 63.45 H new ATOM 0 HB3 ALA A 67 9.107 8.177 1.862 1.00 63.45 H new ATOM 1054 N ARG A 68 9.626 5.609 2.940 1.00 30.40 N ATOM 1055 CA ARG A 68 10.662 4.631 3.307 1.00 2.34 C ATOM 1056 C ARG A 68 10.041 3.359 3.935 1.00 50.13 C ATOM 1057 O ARG A 68 10.619 2.285 3.827 1.00 23.42 O ATOM 1058 CB ARG A 68 11.723 5.284 4.245 1.00 71.02 C ATOM 1059 CG ARG A 68 12.647 6.303 3.526 1.00 32.53 C ATOM 1060 CD ARG A 68 13.655 6.988 4.467 1.00 35.41 C ATOM 1061 NE ARG A 68 14.663 7.777 3.713 1.00 43.22 N ATOM 1062 CZ ARG A 68 15.158 8.979 4.069 1.00 10.22 C ATOM 1063 NH1 ARG A 68 14.774 9.572 5.201 1.00 44.22 N ATOM 1064 NH2 ARG A 68 16.059 9.572 3.294 1.00 53.23 N ATOM 0 H ARG A 68 9.637 6.449 3.519 1.00 30.40 H new ATOM 0 HA ARG A 68 11.172 4.316 2.397 1.00 2.34 H new ATOM 0 HB2 ARG A 68 11.210 5.787 5.065 1.00 71.02 H new ATOM 0 HB3 ARG A 68 12.337 4.499 4.687 1.00 71.02 H new ATOM 0 HG2 ARG A 68 13.192 5.791 2.733 1.00 32.53 H new ATOM 0 HG3 ARG A 68 12.032 7.065 3.048 1.00 32.53 H new ATOM 0 HD2 ARG A 68 13.122 7.643 5.156 1.00 35.41 H new ATOM 0 HD3 ARG A 68 14.160 6.234 5.070 1.00 35.41 H new ATOM 0 HE ARG A 68 15.013 7.371 2.845 1.00 43.22 H new ATOM 0 HH11 ARG A 68 14.096 9.115 5.811 1.00 44.22 H new ATOM 0 HH12 ARG A 68 15.158 10.482 5.456 1.00 44.22 H new ATOM 0 HH21 ARG A 68 16.372 9.118 2.436 1.00 53.23 H new ATOM 0 HH22 ARG A 68 16.438 10.482 3.557 1.00 53.23 H new ATOM 1078 N ARG A 69 8.878 3.503 4.599 1.00 70.05 N ATOM 1079 CA ARG A 69 8.141 2.369 5.224 1.00 21.44 C ATOM 1080 C ARG A 69 7.638 1.388 4.150 1.00 53.31 C ATOM 1081 O ARG A 69 7.766 0.164 4.299 1.00 61.14 O ATOM 1082 CB ARG A 69 6.949 2.915 6.058 1.00 33.11 C ATOM 1083 CG ARG A 69 6.136 1.860 6.842 1.00 12.32 C ATOM 1084 CD ARG A 69 4.963 2.485 7.625 1.00 54.32 C ATOM 1085 NE ARG A 69 5.406 3.512 8.602 1.00 42.50 N ATOM 1086 CZ ARG A 69 5.261 3.432 9.938 1.00 74.14 C ATOM 1087 NH1 ARG A 69 4.692 2.362 10.505 1.00 62.11 N ATOM 1088 NH2 ARG A 69 5.697 4.421 10.702 1.00 51.35 N ATOM 0 H ARG A 69 8.417 4.405 4.722 1.00 70.05 H new ATOM 0 HA ARG A 69 8.821 1.830 5.883 1.00 21.44 H new ATOM 0 HB2 ARG A 69 7.332 3.650 6.766 1.00 33.11 H new ATOM 0 HB3 ARG A 69 6.272 3.442 5.386 1.00 33.11 H new ATOM 0 HG2 ARG A 69 5.749 1.114 6.148 1.00 12.32 H new ATOM 0 HG3 ARG A 69 6.796 1.339 7.536 1.00 12.32 H new ATOM 0 HD2 ARG A 69 4.263 2.937 6.922 1.00 54.32 H new ATOM 0 HD3 ARG A 69 4.423 1.698 8.152 1.00 54.32 H new ATOM 0 HE ARG A 69 5.858 4.347 8.230 1.00 42.50 H new ATOM 0 HH11 ARG A 69 4.361 1.592 9.923 1.00 62.11 H new ATOM 0 HH12 ARG A 69 4.589 2.316 11.519 1.00 62.11 H new ATOM 0 HH21 ARG A 69 6.139 5.236 10.278 1.00 51.35 H new ATOM 0 HH22 ARG A 69 5.591 4.368 11.715 1.00 51.35 H new ATOM 1102 N ALA A 70 7.068 1.948 3.070 1.00 32.32 N ATOM 1103 CA ALA A 70 6.580 1.170 1.928 1.00 55.41 C ATOM 1104 C ALA A 70 7.755 0.552 1.149 1.00 10.40 C ATOM 1105 O ALA A 70 7.677 -0.597 0.705 1.00 42.12 O ATOM 1106 CB ALA A 70 5.715 2.061 1.033 1.00 55.00 C ATOM 0 H ALA A 70 6.934 2.954 2.968 1.00 32.32 H new ATOM 0 HA ALA A 70 5.965 0.346 2.289 1.00 55.41 H new ATOM 0 HB1 ALA A 70 5.353 1.481 0.184 1.00 55.00 H new ATOM 0 HB2 ALA A 70 4.866 2.437 1.605 1.00 55.00 H new ATOM 0 HB3 ALA A 70 6.309 2.900 0.672 1.00 55.00 H new ATOM 1112 N ALA A 71 8.850 1.326 1.022 1.00 72.21 N ATOM 1113 CA ALA A 71 10.098 0.879 0.373 1.00 32.52 C ATOM 1114 C ALA A 71 10.833 -0.209 1.195 1.00 63.23 C ATOM 1115 O ALA A 71 11.582 -1.018 0.633 1.00 52.21 O ATOM 1116 CB ALA A 71 11.013 2.076 0.118 1.00 52.33 C ATOM 0 H ALA A 71 8.894 2.284 1.369 1.00 72.21 H new ATOM 0 HA ALA A 71 9.828 0.424 -0.580 1.00 32.52 H new ATOM 0 HB1 ALA A 71 11.931 1.736 -0.361 1.00 52.33 H new ATOM 0 HB2 ALA A 71 10.507 2.789 -0.533 1.00 52.33 H new ATOM 0 HB3 ALA A 71 11.255 2.558 1.066 1.00 52.33 H new ATOM 1122 N LYS A 72 10.619 -0.199 2.520 1.00 34.21 N ATOM 1123 CA LYS A 72 11.163 -1.214 3.447 1.00 44.51 C ATOM 1124 C LYS A 72 10.475 -2.565 3.199 1.00 33.23 C ATOM 1125 O LYS A 72 11.124 -3.621 3.156 1.00 51.23 O ATOM 1126 CB LYS A 72 10.936 -0.753 4.913 1.00 61.32 C ATOM 1127 CG LYS A 72 11.492 -1.703 6.001 1.00 2.45 C ATOM 1128 CD LYS A 72 11.080 -1.288 7.434 1.00 2.44 C ATOM 1129 CE LYS A 72 11.528 0.136 7.811 1.00 24.32 C ATOM 1130 NZ LYS A 72 12.996 0.322 7.644 1.00 65.44 N ATOM 0 H LYS A 72 10.060 0.517 2.985 1.00 34.21 H new ATOM 0 HA LYS A 72 12.233 -1.330 3.274 1.00 44.51 H new ATOM 0 HB2 LYS A 72 11.394 0.228 5.043 1.00 61.32 H new ATOM 0 HB3 LYS A 72 9.865 -0.629 5.075 1.00 61.32 H new ATOM 0 HG2 LYS A 72 11.139 -2.716 5.806 1.00 2.45 H new ATOM 0 HG3 LYS A 72 12.580 -1.726 5.934 1.00 2.45 H new ATOM 0 HD2 LYS A 72 9.996 -1.356 7.527 1.00 2.44 H new ATOM 0 HD3 LYS A 72 11.506 -1.995 8.146 1.00 2.44 H new ATOM 0 HE2 LYS A 72 10.998 0.859 7.191 1.00 24.32 H new ATOM 0 HE3 LYS A 72 11.252 0.341 8.845 1.00 24.32 H new ATOM 0 HZ1 LYS A 72 13.270 1.258 8.004 1.00 65.44 H new ATOM 0 HZ2 LYS A 72 13.502 -0.415 8.176 1.00 65.44 H new ATOM 0 HZ3 LYS A 72 13.242 0.253 6.636 1.00 65.44 H new ATOM 1144 N SER A 73 9.144 -2.498 3.024 1.00 24.41 N ATOM 1145 CA SER A 73 8.311 -3.661 2.707 1.00 62.44 C ATOM 1146 C SER A 73 8.598 -4.174 1.273 1.00 62.32 C ATOM 1147 O SER A 73 8.477 -5.372 1.002 1.00 32.54 O ATOM 1148 CB SER A 73 6.833 -3.274 2.878 1.00 33.21 C ATOM 1149 OG SER A 73 6.592 -2.754 4.174 1.00 33.11 O ATOM 0 H SER A 73 8.617 -1.628 3.100 1.00 24.41 H new ATOM 0 HA SER A 73 8.548 -4.477 3.390 1.00 62.44 H new ATOM 0 HB2 SER A 73 6.558 -2.533 2.128 1.00 33.21 H new ATOM 0 HB3 SER A 73 6.203 -4.147 2.709 1.00 33.21 H new ATOM 0 HG SER A 73 6.953 -1.845 4.234 1.00 33.11 H new ATOM 1155 N LEU A 74 8.973 -3.242 0.370 1.00 30.31 N ATOM 1156 CA LEU A 74 9.443 -3.562 -0.994 1.00 62.41 C ATOM 1157 C LEU A 74 10.721 -4.397 -0.952 1.00 55.22 C ATOM 1158 O LEU A 74 10.825 -5.401 -1.653 1.00 13.10 O ATOM 1159 CB LEU A 74 9.687 -2.259 -1.813 1.00 65.13 C ATOM 1160 CG LEU A 74 8.414 -1.622 -2.423 1.00 42.02 C ATOM 1161 CD1 LEU A 74 8.664 -0.206 -2.953 1.00 32.33 C ATOM 1162 CD2 LEU A 74 7.851 -2.528 -3.529 1.00 14.44 C ATOM 0 H LEU A 74 8.958 -2.242 0.569 1.00 30.31 H new ATOM 0 HA LEU A 74 8.664 -4.146 -1.484 1.00 62.41 H new ATOM 0 HB2 LEU A 74 10.168 -1.526 -1.166 1.00 65.13 H new ATOM 0 HB3 LEU A 74 10.387 -2.480 -2.619 1.00 65.13 H new ATOM 0 HG LEU A 74 7.678 -1.530 -1.624 1.00 42.02 H new ATOM 0 HD11 LEU A 74 7.740 0.195 -3.370 1.00 32.33 H new ATOM 0 HD12 LEU A 74 9.002 0.433 -2.137 1.00 32.33 H new ATOM 0 HD13 LEU A 74 9.428 -0.238 -3.729 1.00 32.33 H new ATOM 0 HD21 LEU A 74 6.956 -2.072 -3.952 1.00 14.44 H new ATOM 0 HD22 LEU A 74 8.599 -2.654 -4.312 1.00 14.44 H new ATOM 0 HD23 LEU A 74 7.598 -3.501 -3.108 1.00 14.44 H new ATOM 1174 N SER A 75 11.668 -3.972 -0.098 1.00 61.11 N ATOM 1175 CA SER A 75 12.998 -4.582 0.001 1.00 61.03 C ATOM 1176 C SER A 75 12.900 -6.093 0.331 1.00 45.21 C ATOM 1177 O SER A 75 13.674 -6.898 -0.191 1.00 50.21 O ATOM 1178 CB SER A 75 13.834 -3.830 1.065 1.00 4.52 C ATOM 1179 OG SER A 75 15.190 -4.225 1.027 1.00 53.22 O ATOM 0 H SER A 75 11.528 -3.192 0.544 1.00 61.11 H new ATOM 0 HA SER A 75 13.497 -4.497 -0.965 1.00 61.03 H new ATOM 0 HB2 SER A 75 13.761 -2.756 0.895 1.00 4.52 H new ATOM 0 HB3 SER A 75 13.424 -4.024 2.056 1.00 4.52 H new ATOM 0 HG SER A 75 15.693 -3.733 1.709 1.00 53.22 H new ATOM 1185 N GLU A 76 11.918 -6.448 1.188 1.00 74.33 N ATOM 1186 CA GLU A 76 11.619 -7.843 1.571 1.00 3.13 C ATOM 1187 C GLU A 76 10.820 -8.574 0.472 1.00 20.21 C ATOM 1188 O GLU A 76 11.032 -9.768 0.226 1.00 33.21 O ATOM 1189 CB GLU A 76 10.837 -7.875 2.911 1.00 65.04 C ATOM 1190 CG GLU A 76 11.511 -7.090 4.051 1.00 64.22 C ATOM 1191 CD GLU A 76 10.837 -7.338 5.405 1.00 44.24 C ATOM 1192 OE1 GLU A 76 9.858 -6.640 5.731 1.00 11.52 O ATOM 1193 OE2 GLU A 76 11.258 -8.261 6.128 1.00 71.44 O ATOM 0 H GLU A 76 11.306 -5.767 1.637 1.00 74.33 H new ATOM 0 HA GLU A 76 12.568 -8.364 1.696 1.00 3.13 H new ATOM 0 HB2 GLU A 76 9.838 -7.470 2.746 1.00 65.04 H new ATOM 0 HB3 GLU A 76 10.713 -8.912 3.222 1.00 65.04 H new ATOM 0 HG2 GLU A 76 12.562 -7.374 4.113 1.00 64.22 H new ATOM 0 HG3 GLU A 76 11.482 -6.025 3.823 1.00 64.22 H new ATOM 1200 N ALA A 77 9.893 -7.834 -0.173 1.00 54.14 N ATOM 1201 CA ALA A 77 9.022 -8.367 -1.237 1.00 21.14 C ATOM 1202 C ALA A 77 9.846 -8.860 -2.444 1.00 1.03 C ATOM 1203 O ALA A 77 9.570 -9.919 -2.993 1.00 62.31 O ATOM 1204 CB ALA A 77 8.003 -7.294 -1.666 1.00 32.12 C ATOM 0 H ALA A 77 9.729 -6.848 0.032 1.00 54.14 H new ATOM 0 HA ALA A 77 8.482 -9.227 -0.841 1.00 21.14 H new ATOM 0 HB1 ALA A 77 7.363 -7.694 -2.452 1.00 32.12 H new ATOM 0 HB2 ALA A 77 7.392 -7.010 -0.810 1.00 32.12 H new ATOM 0 HB3 ALA A 77 8.533 -6.418 -2.040 1.00 32.12 H new ATOM 1210 N TYR A 78 10.899 -8.099 -2.798 1.00 22.42 N ATOM 1211 CA TYR A 78 11.804 -8.433 -3.910 1.00 10.42 C ATOM 1212 C TYR A 78 12.632 -9.710 -3.630 1.00 34.54 C ATOM 1213 O TYR A 78 13.053 -10.389 -4.573 1.00 15.01 O ATOM 1214 CB TYR A 78 12.731 -7.222 -4.217 1.00 2.43 C ATOM 1215 CG TYR A 78 12.038 -6.076 -4.978 1.00 42.43 C ATOM 1216 CD1 TYR A 78 11.547 -6.280 -6.267 1.00 12.13 C ATOM 1217 CD2 TYR A 78 11.876 -4.806 -4.420 1.00 22.34 C ATOM 1218 CE1 TYR A 78 10.928 -5.264 -6.966 1.00 20.45 C ATOM 1219 CE2 TYR A 78 11.254 -3.785 -5.119 1.00 32.31 C ATOM 1220 CZ TYR A 78 10.781 -4.020 -6.393 1.00 0.54 C ATOM 1221 OH TYR A 78 10.158 -3.012 -7.104 1.00 32.12 O ATOM 0 H TYR A 78 11.145 -7.233 -2.318 1.00 22.42 H new ATOM 0 HA TYR A 78 11.192 -8.647 -4.786 1.00 10.42 H new ATOM 0 HB2 TYR A 78 13.126 -6.834 -3.278 1.00 2.43 H new ATOM 0 HB3 TYR A 78 13.583 -7.569 -4.802 1.00 2.43 H new ATOM 0 HD1 TYR A 78 11.653 -7.251 -6.727 1.00 12.13 H new ATOM 0 HD2 TYR A 78 12.244 -4.616 -3.422 1.00 22.34 H new ATOM 0 HE1 TYR A 78 10.558 -5.445 -7.964 1.00 20.45 H new ATOM 0 HE2 TYR A 78 11.140 -2.810 -4.669 1.00 32.31 H new ATOM 0 HH TYR A 78 10.132 -2.197 -6.561 1.00 32.12 H new ATOM 1231 N GLN A 79 12.842 -10.041 -2.335 1.00 4.35 N ATOM 1232 CA GLN A 79 13.638 -11.228 -1.935 1.00 44.20 C ATOM 1233 C GLN A 79 12.924 -12.530 -2.320 1.00 61.22 C ATOM 1234 O GLN A 79 13.557 -13.477 -2.790 1.00 2.42 O ATOM 1235 CB GLN A 79 13.930 -11.246 -0.407 1.00 44.03 C ATOM 1236 CG GLN A 79 14.573 -9.959 0.163 1.00 32.14 C ATOM 1237 CD GLN A 79 15.997 -9.630 -0.331 1.00 43.02 C ATOM 1238 OE1 GLN A 79 16.388 -9.919 -1.469 1.00 22.41 O ATOM 1239 NE2 GLN A 79 16.791 -9.018 0.540 1.00 50.11 N ATOM 0 H GLN A 79 12.473 -9.505 -1.550 1.00 4.35 H new ATOM 0 HA GLN A 79 14.584 -11.158 -2.472 1.00 44.20 H new ATOM 0 HB2 GLN A 79 12.995 -11.429 0.122 1.00 44.03 H new ATOM 0 HB3 GLN A 79 14.589 -12.087 -0.190 1.00 44.03 H new ATOM 0 HG2 GLN A 79 13.924 -9.117 -0.078 1.00 32.14 H new ATOM 0 HG3 GLN A 79 14.598 -10.041 1.250 1.00 32.14 H new ATOM 0 HE21 GLN A 79 16.446 -8.790 1.472 1.00 50.11 H new ATOM 0 HE22 GLN A 79 17.746 -8.776 0.277 1.00 50.11 H new ATOM 1248 N LYS A 80 11.604 -12.571 -2.093 1.00 2.12 N ATOM 1249 CA LYS A 80 10.789 -13.764 -2.369 1.00 31.41 C ATOM 1250 C LYS A 80 10.370 -13.844 -3.847 1.00 33.34 C ATOM 1251 O LYS A 80 10.247 -14.939 -4.383 1.00 74.32 O ATOM 1252 CB LYS A 80 9.560 -13.804 -1.433 1.00 4.32 C ATOM 1253 CG LYS A 80 8.662 -12.548 -1.466 1.00 20.22 C ATOM 1254 CD LYS A 80 7.412 -12.680 -0.568 1.00 1.44 C ATOM 1255 CE LYS A 80 7.733 -13.062 0.886 1.00 52.33 C ATOM 1256 NZ LYS A 80 6.503 -13.135 1.719 1.00 15.43 N ATOM 0 H LYS A 80 11.074 -11.785 -1.716 1.00 2.12 H new ATOM 0 HA LYS A 80 11.404 -14.642 -2.169 1.00 31.41 H new ATOM 0 HB2 LYS A 80 8.953 -14.671 -1.695 1.00 4.32 H new ATOM 0 HB3 LYS A 80 9.907 -13.955 -0.411 1.00 4.32 H new ATOM 0 HG2 LYS A 80 9.243 -11.683 -1.146 1.00 20.22 H new ATOM 0 HG3 LYS A 80 8.348 -12.359 -2.492 1.00 20.22 H new ATOM 0 HD2 LYS A 80 6.869 -11.735 -0.575 1.00 1.44 H new ATOM 0 HD3 LYS A 80 6.748 -13.432 -0.994 1.00 1.44 H new ATOM 0 HE2 LYS A 80 8.243 -14.025 0.905 1.00 52.33 H new ATOM 0 HE3 LYS A 80 8.418 -12.329 1.312 1.00 52.33 H new ATOM 0 HZ1 LYS A 80 6.767 -13.210 2.722 1.00 15.43 H new ATOM 0 HZ2 LYS A 80 5.934 -12.277 1.574 1.00 15.43 H new ATOM 0 HZ3 LYS A 80 5.947 -13.970 1.444 1.00 15.43 H new ATOM 1270 N VAL A 81 10.162 -12.681 -4.497 1.00 55.13 N ATOM 1271 CA VAL A 81 9.796 -12.613 -5.931 1.00 53.13 C ATOM 1272 C VAL A 81 10.978 -13.090 -6.796 1.00 74.34 C ATOM 1273 O VAL A 81 10.899 -14.129 -7.469 1.00 64.22 O ATOM 1274 CB VAL A 81 9.358 -11.146 -6.346 1.00 13.31 C ATOM 1275 CG1 VAL A 81 9.148 -10.998 -7.878 1.00 24.31 C ATOM 1276 CG2 VAL A 81 8.073 -10.744 -5.599 1.00 53.24 C ATOM 0 H VAL A 81 10.242 -11.768 -4.049 1.00 55.13 H new ATOM 0 HA VAL A 81 8.943 -13.271 -6.098 1.00 53.13 H new ATOM 0 HB VAL A 81 10.172 -10.478 -6.065 1.00 13.31 H new ATOM 0 HG11 VAL A 81 8.849 -9.975 -8.107 1.00 24.31 H new ATOM 0 HG12 VAL A 81 10.078 -11.229 -8.397 1.00 24.31 H new ATOM 0 HG13 VAL A 81 8.369 -11.686 -8.207 1.00 24.31 H new ATOM 0 HG21 VAL A 81 7.782 -9.735 -5.892 1.00 53.24 H new ATOM 0 HG22 VAL A 81 7.273 -11.440 -5.851 1.00 53.24 H new ATOM 0 HG23 VAL A 81 8.253 -10.772 -4.524 1.00 53.24 H new