USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 687 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 40 MET CE :methyl -118:sc= -6.39! (180deg=-9.38!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.264 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.57 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.886 K(o=-0.89,f=-4.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.45) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 47:sc= 1.02 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.35! C(o=-1.4!,f=-1.9!) USER MOD Single : A 35 CYS SG : rot -81:sc= 0.0877 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 43 TYR OH : rot -117:sc= 0.0344 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.585 K(o=-0.58,f=-4.5!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.452 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.316 K(o=-0.32,f=-3!) USER MOD Single : A 60 ASN : amide:sc= -2.39 K(o=-2.4,f=-11!) USER MOD Single : A 62 MET CE :methyl -116:sc= -0.058 (180deg=-3.78!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.00046) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -0.0113 (180deg=-0.313) USER MOD Single : A 71 GLN : amide:sc= 0.212 K(o=0.21,f=-4.4!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -173:sc= 0.843 USER MOD Single : A 84 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.14) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -45:sc= 1.14 USER MOD Single : A 90 THR OG1 : rot -18:sc= 0.589 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.006 10.267 10.126 1.00 0.00 N ATOM 2 CA GLY A 1 -3.207 10.855 11.186 1.00 0.00 C ATOM 3 C GLY A 1 -2.434 12.073 10.721 1.00 0.00 C ATOM 4 O GLY A 1 -1.651 11.996 9.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.515 9.438 10.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.691 10.968 9.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.385 9.973 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.858 11.136 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.509 10.109 11.567 1.00 0.00 H new ATOM 8 N SER A 2 -2.654 13.201 11.388 1.00 0.00 N ATOM 9 CA SER A 2 -1.975 14.443 11.035 1.00 0.00 C ATOM 10 C SER A 2 -0.770 14.680 11.940 1.00 0.00 C ATOM 11 O SER A 2 -0.904 14.768 13.160 1.00 0.00 O ATOM 12 CB SER A 2 -2.942 15.624 11.135 1.00 0.00 C ATOM 13 OG SER A 2 -2.428 16.762 10.466 1.00 0.00 O ATOM 0 H SER A 2 -3.297 13.281 12.176 1.00 0.00 H new ATOM 0 HA SER A 2 -1.624 14.356 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.904 15.348 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.120 15.864 12.183 1.00 0.00 H new ATOM 0 HG SER A 2 -3.065 17.502 10.543 1.00 0.00 H new ATOM 19 N SER A 3 0.408 14.782 11.332 1.00 0.00 N ATOM 20 CA SER A 3 1.639 15.005 12.082 1.00 0.00 C ATOM 21 C SER A 3 2.741 15.535 11.170 1.00 0.00 C ATOM 22 O SER A 3 2.683 15.380 9.951 1.00 0.00 O ATOM 23 CB SER A 3 2.095 13.707 12.751 1.00 0.00 C ATOM 24 OG SER A 3 2.597 12.789 11.796 1.00 0.00 O ATOM 0 H SER A 3 0.536 14.714 10.322 1.00 0.00 H new ATOM 0 HA SER A 3 1.438 15.751 12.851 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.866 13.926 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.259 13.258 13.287 1.00 0.00 H new ATOM 0 HG SER A 3 2.883 11.969 12.250 1.00 0.00 H new ATOM 30 N GLY A 4 3.747 16.163 11.772 1.00 0.00 N ATOM 31 CA GLY A 4 4.849 16.708 11.001 1.00 0.00 C ATOM 32 C GLY A 4 4.397 17.755 10.003 1.00 0.00 C ATOM 33 O GLY A 4 3.305 17.657 9.443 1.00 0.00 O ATOM 0 H GLY A 4 3.818 16.304 12.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.580 17.149 11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.353 15.899 10.471 1.00 0.00 H new ATOM 37 N SER A 5 5.237 18.760 9.780 1.00 0.00 N ATOM 38 CA SER A 5 4.916 19.833 8.847 1.00 0.00 C ATOM 39 C SER A 5 4.938 19.326 7.408 1.00 0.00 C ATOM 40 O SER A 5 5.990 18.962 6.883 1.00 0.00 O ATOM 41 CB SER A 5 5.903 20.990 9.007 1.00 0.00 C ATOM 42 OG SER A 5 7.231 20.566 8.753 1.00 0.00 O ATOM 0 H SER A 5 6.146 18.854 10.233 1.00 0.00 H new ATOM 0 HA SER A 5 3.911 20.189 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.638 21.796 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.834 21.394 10.017 1.00 0.00 H new ATOM 0 HG SER A 5 7.218 19.793 8.150 1.00 0.00 H new ATOM 48 N SER A 6 3.769 19.305 6.776 1.00 0.00 N ATOM 49 CA SER A 6 3.652 18.839 5.399 1.00 0.00 C ATOM 50 C SER A 6 3.543 20.016 4.435 1.00 0.00 C ATOM 51 O SER A 6 2.690 20.888 4.596 1.00 0.00 O ATOM 52 CB SER A 6 2.433 17.927 5.249 1.00 0.00 C ATOM 53 OG SER A 6 2.728 16.608 5.674 1.00 0.00 O ATOM 0 H SER A 6 2.889 19.605 7.196 1.00 0.00 H new ATOM 0 HA SER A 6 4.552 18.274 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.604 18.324 5.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.111 17.914 4.208 1.00 0.00 H new ATOM 0 HG SER A 6 1.933 16.045 5.570 1.00 0.00 H new ATOM 59 N GLY A 7 4.415 20.034 3.431 1.00 0.00 N ATOM 60 CA GLY A 7 4.400 21.108 2.455 1.00 0.00 C ATOM 61 C GLY A 7 3.335 20.913 1.394 1.00 0.00 C ATOM 62 O GLY A 7 2.200 21.358 1.558 1.00 0.00 O ATOM 0 H GLY A 7 5.131 19.324 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.231 22.056 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.377 21.174 1.977 1.00 0.00 H new ATOM 66 N GLN A 8 3.702 20.248 0.304 1.00 0.00 N ATOM 67 CA GLN A 8 2.769 19.998 -0.788 1.00 0.00 C ATOM 68 C GLN A 8 2.318 18.541 -0.796 1.00 0.00 C ATOM 69 O GLN A 8 3.105 17.638 -1.079 1.00 0.00 O ATOM 70 CB GLN A 8 3.415 20.352 -2.129 1.00 0.00 C ATOM 71 CG GLN A 8 3.432 21.843 -2.422 1.00 0.00 C ATOM 72 CD GLN A 8 2.060 22.385 -2.773 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.104 22.227 -2.012 1.00 0.00 O ATOM 74 NE2 GLN A 8 1.955 23.028 -3.929 1.00 0.00 N ATOM 0 H GLN A 8 4.638 19.873 0.153 1.00 0.00 H new ATOM 0 HA GLN A 8 1.893 20.629 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.438 19.976 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.879 19.839 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.817 22.376 -1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.118 22.040 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.773 23.136 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.056 23.414 -4.218 1.00 0.00 H new ATOM 83 N LYS A 9 1.046 18.320 -0.483 1.00 0.00 N ATOM 84 CA LYS A 9 0.488 16.973 -0.455 1.00 0.00 C ATOM 85 C LYS A 9 -0.745 16.876 -1.349 1.00 0.00 C ATOM 86 O LYS A 9 -1.601 17.759 -1.340 1.00 0.00 O ATOM 87 CB LYS A 9 0.123 16.580 0.979 1.00 0.00 C ATOM 88 CG LYS A 9 -0.848 17.539 1.644 1.00 0.00 C ATOM 89 CD LYS A 9 -1.394 16.968 2.943 1.00 0.00 C ATOM 90 CE LYS A 9 -2.530 17.818 3.491 1.00 0.00 C ATOM 91 NZ LYS A 9 -3.045 17.288 4.784 1.00 0.00 N ATOM 0 H LYS A 9 0.382 19.057 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 9 1.244 16.285 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.313 15.581 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.034 16.527 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.346 18.486 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.673 17.753 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.748 15.951 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.594 16.909 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.183 18.842 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.341 17.853 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.818 17.895 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.400 16.320 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.277 17.279 5.486 1.00 0.00 H new ATOM 105 N GLY A 10 -0.829 15.794 -2.118 1.00 0.00 N ATOM 106 CA GLY A 10 -1.961 15.601 -3.005 1.00 0.00 C ATOM 107 C GLY A 10 -2.824 14.424 -2.596 1.00 0.00 C ATOM 108 O GLY A 10 -4.017 14.582 -2.336 1.00 0.00 O ATOM 0 H GLY A 10 -0.133 15.048 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.568 16.506 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.600 15.447 -4.022 1.00 0.00 H new ATOM 112 N TRP A 11 -2.222 13.242 -2.540 1.00 0.00 N ATOM 113 CA TRP A 11 -2.944 12.033 -2.162 1.00 0.00 C ATOM 114 C TRP A 11 -3.829 12.287 -0.946 1.00 0.00 C ATOM 115 O TRP A 11 -3.459 13.035 -0.041 1.00 0.00 O ATOM 116 CB TRP A 11 -1.962 10.899 -1.865 1.00 0.00 C ATOM 117 CG TRP A 11 -2.621 9.674 -1.306 1.00 0.00 C ATOM 118 CD1 TRP A 11 -3.218 9.550 -0.084 1.00 0.00 C ATOM 119 CD2 TRP A 11 -2.747 8.400 -1.947 1.00 0.00 C ATOM 120 NE1 TRP A 11 -3.707 8.276 0.073 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.432 7.551 -1.056 1.00 0.00 C ATOM 122 CE3 TRP A 11 -2.350 7.895 -3.188 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.726 6.227 -1.368 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.642 6.580 -3.496 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.325 5.758 -2.590 1.00 0.00 C ATOM 0 H TRP A 11 -1.235 13.095 -2.752 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.580 11.743 -2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.436 10.634 -2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.211 11.254 -1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.294 10.338 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.196 7.926 0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.824 8.521 -3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.252 5.592 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.338 6.179 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.539 4.735 -2.861 1.00 0.00 H new ATOM 136 N PHE A 12 -5.001 11.659 -0.931 1.00 0.00 N ATOM 137 CA PHE A 12 -5.939 11.817 0.174 1.00 0.00 C ATOM 138 C PHE A 12 -6.138 10.497 0.912 1.00 0.00 C ATOM 139 O PHE A 12 -6.505 9.478 0.327 1.00 0.00 O ATOM 140 CB PHE A 12 -7.284 12.334 -0.342 1.00 0.00 C ATOM 141 CG PHE A 12 -8.236 11.240 -0.733 1.00 0.00 C ATOM 142 CD1 PHE A 12 -8.205 10.701 -2.009 1.00 0.00 C ATOM 143 CD2 PHE A 12 -9.161 10.751 0.175 1.00 0.00 C ATOM 144 CE1 PHE A 12 -9.081 9.695 -2.372 1.00 0.00 C ATOM 145 CE2 PHE A 12 -10.039 9.745 -0.182 1.00 0.00 C ATOM 146 CZ PHE A 12 -9.998 9.216 -1.457 1.00 0.00 C ATOM 0 H PHE A 12 -5.323 11.036 -1.672 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.521 12.543 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.747 12.950 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.110 12.979 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.489 11.071 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.196 11.161 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.048 9.284 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.756 9.373 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.682 8.429 -1.738 1.00 0.00 H new ATOM 156 N PRO A 13 -5.889 10.513 2.230 1.00 0.00 N ATOM 157 CA PRO A 13 -6.033 9.326 3.078 1.00 0.00 C ATOM 158 C PRO A 13 -7.491 8.917 3.259 1.00 0.00 C ATOM 159 O PRO A 13 -8.389 9.502 2.655 1.00 0.00 O ATOM 160 CB PRO A 13 -5.432 9.769 4.414 1.00 0.00 C ATOM 161 CG PRO A 13 -5.584 11.251 4.425 1.00 0.00 C ATOM 162 CD PRO A 13 -5.448 11.692 2.994 1.00 0.00 C ATOM 0 HA PRO A 13 -5.545 8.453 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.954 9.311 5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.385 9.478 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.553 11.541 4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.823 11.717 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.068 12.563 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.421 11.965 2.754 1.00 0.00 H new ATOM 170 N ALA A 14 -7.718 7.909 4.095 1.00 0.00 N ATOM 171 CA ALA A 14 -9.067 7.424 4.357 1.00 0.00 C ATOM 172 C ALA A 14 -9.390 7.476 5.847 1.00 0.00 C ATOM 173 O ALA A 14 -9.371 6.454 6.532 1.00 0.00 O ATOM 174 CB ALA A 14 -9.230 6.006 3.830 1.00 0.00 C ATOM 0 H ALA A 14 -6.985 7.413 4.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.768 8.077 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.242 5.657 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.051 5.995 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.514 5.350 4.324 1.00 0.00 H new ATOM 180 N SER A 15 -9.684 8.674 6.342 1.00 0.00 N ATOM 181 CA SER A 15 -10.006 8.860 7.752 1.00 0.00 C ATOM 182 C SER A 15 -11.429 8.399 8.050 1.00 0.00 C ATOM 183 O SER A 15 -12.306 8.456 7.188 1.00 0.00 O ATOM 184 CB SER A 15 -9.842 10.330 8.145 1.00 0.00 C ATOM 185 OG SER A 15 -9.706 10.470 9.549 1.00 0.00 O ATOM 0 H SER A 15 -9.706 9.530 5.788 1.00 0.00 H new ATOM 0 HA SER A 15 -9.316 8.254 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.966 10.747 7.648 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.705 10.900 7.801 1.00 0.00 H new ATOM 0 HG SER A 15 -9.601 11.418 9.775 1.00 0.00 H new ATOM 191 N HIS A 16 -11.651 7.940 9.278 1.00 0.00 N ATOM 192 CA HIS A 16 -12.968 7.468 9.691 1.00 0.00 C ATOM 193 C HIS A 16 -13.980 8.610 9.687 1.00 0.00 C ATOM 194 O HIS A 16 -13.608 9.782 9.735 1.00 0.00 O ATOM 195 CB HIS A 16 -12.894 6.841 11.084 1.00 0.00 C ATOM 196 CG HIS A 16 -14.186 6.233 11.536 1.00 0.00 C ATOM 197 ND1 HIS A 16 -14.700 5.071 10.999 1.00 0.00 N ATOM 198 CD2 HIS A 16 -15.069 6.632 12.481 1.00 0.00 C ATOM 199 CE1 HIS A 16 -15.844 4.782 11.594 1.00 0.00 C ATOM 200 NE2 HIS A 16 -16.090 5.714 12.498 1.00 0.00 N ATOM 0 H HIS A 16 -10.936 7.885 10.004 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.297 6.712 8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.120 6.074 11.087 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.590 7.604 11.801 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.986 7.509 13.106 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.471 3.930 11.378 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.906 5.746 13.109 1.00 0.00 H new ATOM 209 N VAL A 17 -15.261 8.259 9.629 1.00 0.00 N ATOM 210 CA VAL A 17 -16.326 9.254 9.620 1.00 0.00 C ATOM 211 C VAL A 17 -16.982 9.370 10.991 1.00 0.00 C ATOM 212 O VAL A 17 -17.469 8.385 11.545 1.00 0.00 O ATOM 213 CB VAL A 17 -17.405 8.911 8.575 1.00 0.00 C ATOM 214 CG1 VAL A 17 -17.874 7.473 8.743 1.00 0.00 C ATOM 215 CG2 VAL A 17 -18.575 9.878 8.680 1.00 0.00 C ATOM 0 H VAL A 17 -15.586 7.293 9.588 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.866 10.207 9.359 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.968 9.011 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.636 7.249 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.029 6.797 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.294 7.341 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -19.328 9.621 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.013 9.812 9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -18.223 10.895 8.505 1.00 0.00 H new ATOM 225 N LYS A 18 -16.991 10.583 11.535 1.00 0.00 N ATOM 226 CA LYS A 18 -17.588 10.831 12.842 1.00 0.00 C ATOM 227 C LYS A 18 -18.798 11.752 12.721 1.00 0.00 C ATOM 228 O LYS A 18 -18.908 12.748 13.438 1.00 0.00 O ATOM 229 CB LYS A 18 -16.556 11.449 13.788 1.00 0.00 C ATOM 230 CG LYS A 18 -15.977 12.759 13.284 1.00 0.00 C ATOM 231 CD LYS A 18 -14.734 12.532 12.441 1.00 0.00 C ATOM 232 CE LYS A 18 -13.504 12.310 13.308 1.00 0.00 C ATOM 233 NZ LYS A 18 -12.846 13.594 13.676 1.00 0.00 N ATOM 0 H LYS A 18 -16.591 11.410 11.090 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.919 9.876 13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.021 11.617 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.744 10.738 13.941 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.727 13.286 12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.731 13.399 14.131 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.885 11.668 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.572 13.392 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.790 11.776 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.794 11.677 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.012 13.400 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.550 14.092 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.515 14.188 14.206 1.00 0.00 H new ATOM 247 N LEU A 19 -19.705 11.414 11.811 1.00 0.00 N ATOM 248 CA LEU A 19 -20.908 12.210 11.597 1.00 0.00 C ATOM 249 C LEU A 19 -21.854 12.098 12.789 1.00 0.00 C ATOM 250 O LEU A 19 -21.990 11.031 13.389 1.00 0.00 O ATOM 251 CB LEU A 19 -21.622 11.760 10.321 1.00 0.00 C ATOM 252 CG LEU A 19 -22.116 10.313 10.304 1.00 0.00 C ATOM 253 CD1 LEU A 19 -23.528 10.224 10.861 1.00 0.00 C ATOM 254 CD2 LEU A 19 -22.061 9.748 8.892 1.00 0.00 C ATOM 0 H LEU A 19 -19.630 10.594 11.209 1.00 0.00 H new ATOM 0 HA LEU A 19 -20.609 13.253 11.490 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -22.476 12.417 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -20.944 11.901 9.480 1.00 0.00 H new ATOM 0 HG LEU A 19 -21.460 9.718 10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -23.862 9.187 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -23.538 10.588 11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -24.198 10.833 10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.416 8.717 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -22.694 10.346 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -21.034 9.776 8.529 1.00 0.00 H new ATOM 266 N LEU A 20 -22.507 13.205 13.125 1.00 0.00 N ATOM 267 CA LEU A 20 -23.442 13.231 14.244 1.00 0.00 C ATOM 268 C LEU A 20 -22.834 12.573 15.478 1.00 0.00 C ATOM 269 O LEU A 20 -23.487 11.782 16.158 1.00 0.00 O ATOM 270 CB LEU A 20 -24.743 12.523 13.863 1.00 0.00 C ATOM 271 CG LEU A 20 -25.549 13.162 12.732 1.00 0.00 C ATOM 272 CD1 LEU A 20 -26.404 12.118 12.030 1.00 0.00 C ATOM 273 CD2 LEU A 20 -26.417 14.292 13.268 1.00 0.00 C ATOM 0 H LEU A 20 -22.406 14.096 12.639 1.00 0.00 H new ATOM 0 HA LEU A 20 -23.658 14.273 14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -24.505 11.498 13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -25.377 12.469 14.748 1.00 0.00 H new ATOM 0 HG LEU A 20 -24.852 13.579 12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -26.971 12.591 11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -25.762 11.343 11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -27.093 11.671 12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -26.984 14.735 12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -27.106 13.898 14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -25.783 15.053 13.724 1.00 0.00 H new ATOM 285 N GLY A 21 -21.579 12.907 15.763 1.00 0.00 N ATOM 286 CA GLY A 21 -20.904 12.341 16.916 1.00 0.00 C ATOM 287 C GLY A 21 -20.841 13.306 18.083 1.00 0.00 C ATOM 288 O GLY A 21 -20.824 14.525 17.908 1.00 0.00 O ATOM 0 H GLY A 21 -21.018 13.560 15.216 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -21.422 11.433 17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.892 12.050 16.634 1.00 0.00 H new ATOM 292 N PRO A 22 -20.806 12.760 19.308 1.00 0.00 N ATOM 293 CA PRO A 22 -20.746 13.564 20.532 1.00 0.00 C ATOM 294 C PRO A 22 -19.402 14.264 20.700 1.00 0.00 C ATOM 295 O PRO A 22 -18.524 14.157 19.843 1.00 0.00 O ATOM 296 CB PRO A 22 -20.954 12.532 21.644 1.00 0.00 C ATOM 297 CG PRO A 22 -20.493 11.243 21.056 1.00 0.00 C ATOM 298 CD PRO A 22 -20.823 11.315 19.591 1.00 0.00 C ATOM 0 HA PRO A 22 -21.485 14.365 20.531 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.380 12.789 22.534 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -22.001 12.479 21.944 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -19.423 11.105 21.209 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -20.994 10.398 21.528 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.091 10.779 18.987 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.797 10.875 19.376 1.00 0.00 H new ATOM 306 N SER A 23 -19.247 14.980 21.809 1.00 0.00 N ATOM 307 CA SER A 23 -18.011 15.701 22.087 1.00 0.00 C ATOM 308 C SER A 23 -16.945 14.759 22.638 1.00 0.00 C ATOM 309 O SER A 23 -15.748 14.990 22.467 1.00 0.00 O ATOM 310 CB SER A 23 -18.269 16.835 23.082 1.00 0.00 C ATOM 311 OG SER A 23 -18.597 16.325 24.362 1.00 0.00 O ATOM 0 H SER A 23 -19.962 15.076 22.530 1.00 0.00 H new ATOM 0 HA SER A 23 -17.648 16.125 21.150 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.384 17.467 23.155 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.082 17.464 22.719 1.00 0.00 H new ATOM 0 HG SER A 23 -18.755 17.069 24.980 1.00 0.00 H new ATOM 317 N SER A 24 -17.389 13.696 23.300 1.00 0.00 N ATOM 318 CA SER A 24 -16.475 12.719 23.880 1.00 0.00 C ATOM 319 C SER A 24 -16.740 11.326 23.319 1.00 0.00 C ATOM 320 O SER A 24 -17.466 10.532 23.918 1.00 0.00 O ATOM 321 CB SER A 24 -16.612 12.703 25.404 1.00 0.00 C ATOM 322 OG SER A 24 -17.915 12.305 25.794 1.00 0.00 O ATOM 0 H SER A 24 -18.377 13.489 23.448 1.00 0.00 H new ATOM 0 HA SER A 24 -15.458 13.009 23.617 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.877 12.021 25.831 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.397 13.695 25.802 1.00 0.00 H new ATOM 0 HG SER A 24 -18.179 11.508 25.288 1.00 0.00 H new ATOM 328 N GLU A 25 -16.147 11.036 22.165 1.00 0.00 N ATOM 329 CA GLU A 25 -16.320 9.738 21.523 1.00 0.00 C ATOM 330 C GLU A 25 -14.983 9.015 21.387 1.00 0.00 C ATOM 331 O GLU A 25 -14.063 9.508 20.735 1.00 0.00 O ATOM 332 CB GLU A 25 -16.962 9.909 20.144 1.00 0.00 C ATOM 333 CG GLU A 25 -17.556 8.626 19.586 1.00 0.00 C ATOM 334 CD GLU A 25 -16.510 7.723 18.963 1.00 0.00 C ATOM 335 OE1 GLU A 25 -15.443 8.237 18.566 1.00 0.00 O ATOM 336 OE2 GLU A 25 -16.758 6.502 18.871 1.00 0.00 O ATOM 0 H GLU A 25 -15.543 11.682 21.656 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.977 9.135 22.151 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.745 10.664 20.208 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.213 10.285 19.448 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.066 8.088 20.385 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.309 8.874 18.838 1.00 0.00 H new ATOM 343 N ARG A 26 -14.885 7.845 22.009 1.00 0.00 N ATOM 344 CA ARG A 26 -13.661 7.055 21.960 1.00 0.00 C ATOM 345 C ARG A 26 -13.680 6.095 20.774 1.00 0.00 C ATOM 346 O ARG A 26 -14.725 5.545 20.426 1.00 0.00 O ATOM 347 CB ARG A 26 -13.482 6.271 23.262 1.00 0.00 C ATOM 348 CG ARG A 26 -14.553 5.216 23.489 1.00 0.00 C ATOM 349 CD ARG A 26 -14.081 4.143 24.458 1.00 0.00 C ATOM 350 NE ARG A 26 -14.399 4.479 25.844 1.00 0.00 N ATOM 351 CZ ARG A 26 -13.990 3.764 26.886 1.00 0.00 C ATOM 352 NH1 ARG A 26 -13.249 2.680 26.700 1.00 0.00 N ATOM 353 NH2 ARG A 26 -14.320 4.133 28.116 1.00 0.00 N ATOM 0 H ARG A 26 -15.638 7.423 22.553 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.822 7.739 21.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.505 5.789 23.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.487 6.968 24.100 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.454 5.689 23.879 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.820 4.756 22.537 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.546 3.191 24.200 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.004 4.010 24.355 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.966 5.308 26.021 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.992 2.394 25.755 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.936 2.132 27.502 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.889 4.967 28.263 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.005 3.583 28.915 1.00 0.00 H new ATOM 367 N ALA A 27 -12.519 5.899 20.159 1.00 0.00 N ATOM 368 CA ALA A 27 -12.403 5.005 19.014 1.00 0.00 C ATOM 369 C ALA A 27 -11.271 4.002 19.212 1.00 0.00 C ATOM 370 O ALA A 27 -10.255 4.312 19.836 1.00 0.00 O ATOM 371 CB ALA A 27 -12.183 5.806 17.739 1.00 0.00 C ATOM 0 H ALA A 27 -11.645 6.347 20.434 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.336 4.448 18.924 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.098 5.125 16.892 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.027 6.478 17.581 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.266 6.389 17.829 1.00 0.00 H new ATOM 377 N THR A 28 -11.452 2.798 18.679 1.00 0.00 N ATOM 378 CA THR A 28 -10.447 1.750 18.799 1.00 0.00 C ATOM 379 C THR A 28 -9.474 1.783 17.626 1.00 0.00 C ATOM 380 O THR A 28 -9.844 2.081 16.490 1.00 0.00 O ATOM 381 CB THR A 28 -11.097 0.355 18.872 1.00 0.00 C ATOM 382 OG1 THR A 28 -11.844 0.099 17.678 1.00 0.00 O ATOM 383 CG2 THR A 28 -12.014 0.248 20.082 1.00 0.00 C ATOM 0 H THR A 28 -12.286 2.525 18.160 1.00 0.00 H new ATOM 0 HA THR A 28 -9.903 1.939 19.724 1.00 0.00 H new ATOM 0 HB THR A 28 -10.304 -0.386 18.970 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.252 -0.790 17.732 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.462 -0.745 20.113 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.437 0.414 20.992 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.801 0.998 20.009 1.00 0.00 H new ATOM 391 N PRO A 29 -8.200 1.470 17.904 1.00 0.00 N ATOM 392 CA PRO A 29 -7.147 1.456 16.884 1.00 0.00 C ATOM 393 C PRO A 29 -7.316 0.309 15.893 1.00 0.00 C ATOM 394 O PRO A 29 -6.496 0.130 14.993 1.00 0.00 O ATOM 395 CB PRO A 29 -5.865 1.274 17.700 1.00 0.00 C ATOM 396 CG PRO A 29 -6.305 0.592 18.949 1.00 0.00 C ATOM 397 CD PRO A 29 -7.689 1.105 19.236 1.00 0.00 C ATOM 0 HA PRO A 29 -7.156 2.361 16.276 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.133 0.675 17.159 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.394 2.233 17.917 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.309 -0.491 18.822 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.628 0.814 19.774 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.309 0.344 19.710 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.668 1.963 19.908 1.00 0.00 H new ATOM 405 N ALA A 30 -8.383 -0.463 16.065 1.00 0.00 N ATOM 406 CA ALA A 30 -8.660 -1.591 15.184 1.00 0.00 C ATOM 407 C ALA A 30 -9.345 -1.131 13.902 1.00 0.00 C ATOM 408 O ALA A 30 -10.560 -0.933 13.872 1.00 0.00 O ATOM 409 CB ALA A 30 -9.517 -2.624 15.901 1.00 0.00 C ATOM 0 H ALA A 30 -9.070 -0.328 16.807 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.709 -2.050 14.913 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.716 -3.460 15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.990 -2.984 16.784 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.460 -2.168 16.202 1.00 0.00 H new ATOM 415 N PHE A 31 -8.558 -0.961 12.844 1.00 0.00 N ATOM 416 CA PHE A 31 -9.089 -0.522 11.559 1.00 0.00 C ATOM 417 C PHE A 31 -9.417 -1.717 10.669 1.00 0.00 C ATOM 418 O PHE A 31 -9.183 -2.867 11.043 1.00 0.00 O ATOM 419 CB PHE A 31 -8.086 0.393 10.854 1.00 0.00 C ATOM 420 CG PHE A 31 -6.707 -0.195 10.753 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.798 -0.044 11.787 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.321 -0.899 9.624 1.00 0.00 C ATOM 423 CE1 PHE A 31 -4.528 -0.583 11.696 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.053 -1.442 9.527 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.156 -1.284 10.565 1.00 0.00 C ATOM 0 H PHE A 31 -7.551 -1.121 12.852 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.008 0.033 11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.452 0.616 9.852 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.030 1.340 11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.084 0.501 12.674 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.019 -1.025 8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.827 -0.456 12.508 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.765 -1.989 8.641 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.165 -1.708 10.493 1.00 0.00 H new ATOM 435 N HIS A 32 -9.962 -1.437 9.490 1.00 0.00 N ATOM 436 CA HIS A 32 -10.323 -2.489 8.545 1.00 0.00 C ATOM 437 C HIS A 32 -9.817 -2.158 7.144 1.00 0.00 C ATOM 438 O HIS A 32 -10.465 -1.448 6.375 1.00 0.00 O ATOM 439 CB HIS A 32 -11.840 -2.682 8.520 1.00 0.00 C ATOM 440 CG HIS A 32 -12.582 -1.519 7.936 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.134 -1.537 6.672 1.00 0.00 N ATOM 442 CD2 HIS A 32 -12.863 -0.300 8.451 1.00 0.00 C ATOM 443 CE1 HIS A 32 -13.722 -0.378 6.435 1.00 0.00 C ATOM 444 NE2 HIS A 32 -13.572 0.391 7.499 1.00 0.00 N ATOM 0 H HIS A 32 -10.164 -0.491 9.166 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.852 -3.416 8.873 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.075 -3.578 7.945 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.193 -2.854 9.537 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.582 0.062 9.429 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.238 -0.105 5.526 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.925 1.343 7.597 1.00 0.00 H new ATOM 453 N PRO A 33 -8.631 -2.683 6.804 1.00 0.00 N ATOM 454 CA PRO A 33 -8.012 -2.457 5.495 1.00 0.00 C ATOM 455 C PRO A 33 -8.759 -3.166 4.370 1.00 0.00 C ATOM 456 O PRO A 33 -9.696 -3.925 4.615 1.00 0.00 O ATOM 457 CB PRO A 33 -6.609 -3.047 5.659 1.00 0.00 C ATOM 458 CG PRO A 33 -6.750 -4.067 6.736 1.00 0.00 C ATOM 459 CD PRO A 33 -7.803 -3.539 7.671 1.00 0.00 C ATOM 0 HA PRO A 33 -8.017 -1.402 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.258 -3.498 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.886 -2.279 5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.043 -5.032 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.805 -4.217 7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.387 -4.345 8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.364 -2.973 8.493 1.00 0.00 H new ATOM 467 N VAL A 34 -8.337 -2.913 3.135 1.00 0.00 N ATOM 468 CA VAL A 34 -8.966 -3.528 1.972 1.00 0.00 C ATOM 469 C VAL A 34 -8.294 -4.851 1.620 1.00 0.00 C ATOM 470 O VAL A 34 -8.934 -5.763 1.093 1.00 0.00 O ATOM 471 CB VAL A 34 -8.913 -2.597 0.746 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.806 -1.384 0.959 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.480 -2.171 0.463 1.00 0.00 C ATOM 0 H VAL A 34 -7.563 -2.287 2.914 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.008 -3.710 2.235 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.283 -3.144 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.756 -0.737 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.835 -1.711 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.468 -0.833 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.461 -1.514 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.080 -1.641 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.871 -3.053 0.265 1.00 0.00 H new ATOM 483 N CYS A 35 -7.003 -4.950 1.914 1.00 0.00 N ATOM 484 CA CYS A 35 -6.244 -6.162 1.629 1.00 0.00 C ATOM 485 C CYS A 35 -4.868 -6.109 2.284 1.00 0.00 C ATOM 486 O CYS A 35 -4.494 -5.101 2.883 1.00 0.00 O ATOM 487 CB CYS A 35 -6.095 -6.352 0.118 1.00 0.00 C ATOM 488 SG CYS A 35 -5.917 -8.076 -0.395 1.00 0.00 S ATOM 0 H CYS A 35 -6.459 -4.205 2.350 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.791 -7.009 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.966 -5.924 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.225 -5.791 -0.224 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.684 -8.453 -0.230 1.00 0.00 H new ATOM 494 N GLN A 36 -4.120 -7.201 2.168 1.00 0.00 N ATOM 495 CA GLN A 36 -2.786 -7.279 2.751 1.00 0.00 C ATOM 496 C GLN A 36 -1.742 -7.591 1.684 1.00 0.00 C ATOM 497 O GLN A 36 -1.872 -8.562 0.939 1.00 0.00 O ATOM 498 CB GLN A 36 -2.747 -8.346 3.847 1.00 0.00 C ATOM 499 CG GLN A 36 -1.515 -8.264 4.733 1.00 0.00 C ATOM 500 CD GLN A 36 -1.489 -9.343 5.798 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.281 -10.285 5.763 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.575 -9.211 6.752 1.00 0.00 N ATOM 0 H GLN A 36 -4.415 -8.044 1.676 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.552 -6.309 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.638 -8.250 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.786 -9.332 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.621 -8.348 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.481 -7.285 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.061 -8.414 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.509 -9.907 7.495 1.00 0.00 H new ATOM 511 N VAL A 37 -0.706 -6.761 1.616 1.00 0.00 N ATOM 512 CA VAL A 37 0.361 -6.948 0.641 1.00 0.00 C ATOM 513 C VAL A 37 1.719 -7.051 1.325 1.00 0.00 C ATOM 514 O VAL A 37 1.841 -6.803 2.525 1.00 0.00 O ATOM 515 CB VAL A 37 0.398 -5.795 -0.379 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.910 -5.722 -1.151 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.689 -4.475 0.320 1.00 0.00 C ATOM 0 H VAL A 37 -0.583 -5.952 2.225 1.00 0.00 H new ATOM 0 HA VAL A 37 0.150 -7.880 0.117 1.00 0.00 H new ATOM 0 HB VAL A 37 1.201 -5.988 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.865 -4.901 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.071 -6.659 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.733 -5.553 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.712 -3.671 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.090 -4.273 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.655 -4.534 0.822 1.00 0.00 H new ATOM 527 N ILE A 38 2.738 -7.418 0.555 1.00 0.00 N ATOM 528 CA ILE A 38 4.088 -7.552 1.087 1.00 0.00 C ATOM 529 C ILE A 38 5.079 -6.708 0.291 1.00 0.00 C ATOM 530 O ILE A 38 4.920 -6.517 -0.914 1.00 0.00 O ATOM 531 CB ILE A 38 4.555 -9.020 1.074 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.663 -9.234 2.107 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.037 -9.410 -0.316 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.696 -10.636 2.675 1.00 0.00 C ATOM 0 H ILE A 38 2.654 -7.628 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 38 4.058 -7.198 2.117 1.00 0.00 H new ATOM 0 HB ILE A 38 3.711 -9.657 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.626 -9.015 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.531 -8.523 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.364 -10.450 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.223 -9.290 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.870 -8.770 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.506 -10.716 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.747 -10.852 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.859 -11.351 1.869 1.00 0.00 H new ATOM 546 N ALA A 39 6.102 -6.206 0.975 1.00 0.00 N ATOM 547 CA ALA A 39 7.121 -5.386 0.332 1.00 0.00 C ATOM 548 C ALA A 39 8.040 -6.235 -0.540 1.00 0.00 C ATOM 549 O ALA A 39 8.607 -7.226 -0.079 1.00 0.00 O ATOM 550 CB ALA A 39 7.930 -4.633 1.378 1.00 0.00 C ATOM 0 H ALA A 39 6.247 -6.353 1.974 1.00 0.00 H new ATOM 0 HA ALA A 39 6.618 -4.664 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.687 -4.025 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.267 -3.989 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.416 -5.346 2.045 1.00 0.00 H new ATOM 556 N MET A 40 8.183 -5.842 -1.801 1.00 0.00 N ATOM 557 CA MET A 40 9.034 -6.567 -2.736 1.00 0.00 C ATOM 558 C MET A 40 10.489 -6.132 -2.597 1.00 0.00 C ATOM 559 O MET A 40 11.402 -6.956 -2.662 1.00 0.00 O ATOM 560 CB MET A 40 8.557 -6.343 -4.173 1.00 0.00 C ATOM 561 CG MET A 40 7.116 -6.765 -4.408 1.00 0.00 C ATOM 562 SD MET A 40 6.298 -5.771 -5.670 1.00 0.00 S ATOM 563 CE MET A 40 7.531 -5.791 -6.969 1.00 0.00 C ATOM 0 H MET A 40 7.720 -5.025 -2.199 1.00 0.00 H new ATOM 0 HA MET A 40 8.967 -7.629 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.663 -5.287 -4.422 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.205 -6.897 -4.853 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.092 -7.813 -4.705 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.561 -6.686 -3.473 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.871 -4.774 -7.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.377 -6.404 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.096 -6.208 -7.877 1.00 0.00 H new ATOM 573 N TYR A 41 10.698 -4.834 -2.406 1.00 0.00 N ATOM 574 CA TYR A 41 12.043 -4.290 -2.261 1.00 0.00 C ATOM 575 C TYR A 41 12.125 -3.354 -1.058 1.00 0.00 C ATOM 576 O TYR A 41 11.127 -2.757 -0.654 1.00 0.00 O ATOM 577 CB TYR A 41 12.454 -3.544 -3.531 1.00 0.00 C ATOM 578 CG TYR A 41 11.846 -4.115 -4.792 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.485 -5.124 -5.500 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.630 -3.645 -5.275 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.934 -5.648 -6.653 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.070 -4.163 -6.426 1.00 0.00 C ATOM 583 CZ TYR A 41 10.726 -5.164 -7.112 1.00 0.00 C ATOM 584 OH TYR A 41 10.172 -5.684 -8.260 1.00 0.00 O ATOM 0 H TYR A 41 9.953 -4.139 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 41 12.729 -5.122 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.162 -2.498 -3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.540 -3.565 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.430 -5.506 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.114 -2.861 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.445 -6.432 -7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.124 -3.787 -6.787 1.00 0.00 H new ATOM 0 HH TYR A 41 10.441 -6.621 -8.358 1.00 0.00 H new ATOM 594 N ASP A 42 13.320 -3.231 -0.493 1.00 0.00 N ATOM 595 CA ASP A 42 13.535 -2.367 0.662 1.00 0.00 C ATOM 596 C ASP A 42 13.204 -0.916 0.324 1.00 0.00 C ATOM 597 O ASP A 42 14.017 -0.206 -0.269 1.00 0.00 O ATOM 598 CB ASP A 42 14.982 -2.474 1.144 1.00 0.00 C ATOM 599 CG ASP A 42 15.489 -3.903 1.141 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.663 -4.469 0.042 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.712 -4.455 2.239 1.00 0.00 O ATOM 0 H ASP A 42 14.156 -3.719 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 42 12.870 -2.697 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.621 -1.864 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.057 -2.067 2.152 1.00 0.00 H new ATOM 606 N TYR A 43 12.007 -0.484 0.703 1.00 0.00 N ATOM 607 CA TYR A 43 11.568 0.881 0.437 1.00 0.00 C ATOM 608 C TYR A 43 11.993 1.819 1.563 1.00 0.00 C ATOM 609 O TYR A 43 11.775 1.534 2.740 1.00 0.00 O ATOM 610 CB TYR A 43 10.048 0.926 0.268 1.00 0.00 C ATOM 611 CG TYR A 43 9.553 2.174 -0.426 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.720 3.427 0.151 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.918 2.101 -1.660 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.269 4.570 -0.479 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.464 3.239 -2.298 1.00 0.00 C ATOM 616 CZ TYR A 43 8.642 4.471 -1.704 1.00 0.00 C ATOM 617 OH TYR A 43 8.191 5.607 -2.336 1.00 0.00 O ATOM 0 H TYR A 43 11.323 -1.059 1.195 1.00 0.00 H new ATOM 0 HA TYR A 43 12.040 1.214 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.728 0.053 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.579 0.856 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.211 3.508 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.777 1.138 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.406 5.536 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.972 3.164 -3.257 1.00 0.00 H new ATOM 0 HH TYR A 43 7.216 5.566 -2.425 1.00 0.00 H new ATOM 627 N ALA A 44 12.602 2.940 1.191 1.00 0.00 N ATOM 628 CA ALA A 44 13.056 3.923 2.167 1.00 0.00 C ATOM 629 C ALA A 44 12.430 5.288 1.904 1.00 0.00 C ATOM 630 O ALA A 44 12.876 6.027 1.026 1.00 0.00 O ATOM 631 CB ALA A 44 14.574 4.024 2.147 1.00 0.00 C ATOM 0 H ALA A 44 12.792 3.190 0.221 1.00 0.00 H new ATOM 0 HA ALA A 44 12.737 3.591 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.899 4.762 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.006 3.054 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.905 4.329 1.154 1.00 0.00 H new ATOM 637 N ALA A 45 11.394 5.616 2.669 1.00 0.00 N ATOM 638 CA ALA A 45 10.708 6.894 2.519 1.00 0.00 C ATOM 639 C ALA A 45 11.666 8.060 2.734 1.00 0.00 C ATOM 640 O ALA A 45 12.193 8.249 3.829 1.00 0.00 O ATOM 641 CB ALA A 45 9.539 6.982 3.489 1.00 0.00 C ATOM 0 H ALA A 45 11.011 5.015 3.399 1.00 0.00 H new ATOM 0 HA ALA A 45 10.326 6.956 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.036 7.941 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.836 6.175 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.907 6.893 4.511 1.00 0.00 H new ATOM 647 N ASN A 46 11.887 8.840 1.680 1.00 0.00 N ATOM 648 CA ASN A 46 12.783 9.988 1.754 1.00 0.00 C ATOM 649 C ASN A 46 12.269 11.016 2.758 1.00 0.00 C ATOM 650 O ASN A 46 13.009 11.898 3.192 1.00 0.00 O ATOM 651 CB ASN A 46 12.932 10.635 0.376 1.00 0.00 C ATOM 652 CG ASN A 46 13.805 9.816 -0.556 1.00 0.00 C ATOM 653 OD1 ASN A 46 15.010 10.048 -0.660 1.00 0.00 O ATOM 654 ND2 ASN A 46 13.199 8.852 -1.239 1.00 0.00 N ATOM 0 H ASN A 46 11.458 8.698 0.766 1.00 0.00 H new ATOM 0 HA ASN A 46 13.758 9.635 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.946 10.761 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.361 11.631 0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.734 8.268 -1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.198 8.695 -1.121 1.00 0.00 H new ATOM 661 N ASN A 47 10.997 10.895 3.121 1.00 0.00 N ATOM 662 CA ASN A 47 10.383 11.813 4.073 1.00 0.00 C ATOM 663 C ASN A 47 9.244 11.134 4.828 1.00 0.00 C ATOM 664 O ASN A 47 8.952 9.960 4.603 1.00 0.00 O ATOM 665 CB ASN A 47 9.860 13.056 3.350 1.00 0.00 C ATOM 666 CG ASN A 47 9.051 12.710 2.116 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.448 11.640 2.036 1.00 0.00 O ATOM 668 ND2 ASN A 47 9.035 13.616 1.145 1.00 0.00 N ATOM 0 H ASN A 47 10.371 10.170 2.770 1.00 0.00 H new ATOM 0 HA ASN A 47 11.145 12.112 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.243 13.638 4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.701 13.687 3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.508 13.438 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.550 14.490 1.254 1.00 0.00 H new ATOM 675 N GLU A 48 8.606 11.881 5.723 1.00 0.00 N ATOM 676 CA GLU A 48 7.500 11.350 6.511 1.00 0.00 C ATOM 677 C GLU A 48 6.316 10.995 5.616 1.00 0.00 C ATOM 678 O GLU A 48 5.560 10.068 5.907 1.00 0.00 O ATOM 679 CB GLU A 48 7.066 12.365 7.571 1.00 0.00 C ATOM 680 CG GLU A 48 8.104 12.593 8.657 1.00 0.00 C ATOM 681 CD GLU A 48 7.521 13.249 9.893 1.00 0.00 C ATOM 682 OE1 GLU A 48 6.978 14.367 9.771 1.00 0.00 O ATOM 683 OE2 GLU A 48 7.608 12.644 10.982 1.00 0.00 O ATOM 0 H GLU A 48 8.836 12.855 5.921 1.00 0.00 H new ATOM 0 HA GLU A 48 7.844 10.442 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.847 13.315 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.140 12.023 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.551 11.638 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.906 13.218 8.263 1.00 0.00 H new ATOM 690 N ASP A 49 6.161 11.740 4.527 1.00 0.00 N ATOM 691 CA ASP A 49 5.070 11.505 3.588 1.00 0.00 C ATOM 692 C ASP A 49 5.053 10.051 3.128 1.00 0.00 C ATOM 693 O ASP A 49 3.992 9.438 3.017 1.00 0.00 O ATOM 694 CB ASP A 49 5.199 12.434 2.380 1.00 0.00 C ATOM 695 CG ASP A 49 4.680 13.830 2.665 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.452 14.035 2.576 1.00 0.00 O ATOM 697 OD2 ASP A 49 5.502 14.717 2.975 1.00 0.00 O ATOM 0 H ASP A 49 6.777 12.512 4.273 1.00 0.00 H new ATOM 0 HA ASP A 49 4.131 11.716 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.245 12.493 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.650 12.010 1.539 1.00 0.00 H new ATOM 702 N GLU A 50 6.236 9.506 2.861 1.00 0.00 N ATOM 703 CA GLU A 50 6.355 8.124 2.411 1.00 0.00 C ATOM 704 C GLU A 50 6.547 7.181 3.595 1.00 0.00 C ATOM 705 O GLU A 50 6.703 7.620 4.735 1.00 0.00 O ATOM 706 CB GLU A 50 7.527 7.981 1.437 1.00 0.00 C ATOM 707 CG GLU A 50 7.253 8.574 0.065 1.00 0.00 C ATOM 708 CD GLU A 50 8.364 8.287 -0.927 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.501 8.023 -0.483 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.097 8.328 -2.146 1.00 0.00 O ATOM 0 H GLU A 50 7.124 10.000 2.948 1.00 0.00 H new ATOM 0 HA GLU A 50 5.431 7.854 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.405 8.465 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.769 6.924 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.315 8.173 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.124 9.652 0.158 1.00 0.00 H new ATOM 717 N LEU A 51 6.533 5.882 3.317 1.00 0.00 N ATOM 718 CA LEU A 51 6.704 4.875 4.359 1.00 0.00 C ATOM 719 C LEU A 51 8.019 4.123 4.179 1.00 0.00 C ATOM 720 O LEU A 51 8.300 3.592 3.104 1.00 0.00 O ATOM 721 CB LEU A 51 5.534 3.889 4.340 1.00 0.00 C ATOM 722 CG LEU A 51 5.121 3.313 5.695 1.00 0.00 C ATOM 723 CD1 LEU A 51 4.018 2.280 5.521 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.321 2.701 6.402 1.00 0.00 C ATOM 0 H LEU A 51 6.405 5.501 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 6.727 5.385 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.670 4.389 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.793 3.062 3.679 1.00 0.00 H new ATOM 0 HG LEU A 51 4.736 4.125 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.737 1.881 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.150 2.749 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.376 1.469 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.009 2.296 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.735 1.901 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.080 3.467 6.560 1.00 0.00 H new ATOM 736 N SER A 52 8.821 4.082 5.238 1.00 0.00 N ATOM 737 CA SER A 52 10.107 3.396 5.197 1.00 0.00 C ATOM 738 C SER A 52 9.977 1.965 5.707 1.00 0.00 C ATOM 739 O SER A 52 9.707 1.736 6.886 1.00 0.00 O ATOM 740 CB SER A 52 11.140 4.156 6.031 1.00 0.00 C ATOM 741 OG SER A 52 11.473 5.394 5.428 1.00 0.00 O ATOM 0 H SER A 52 8.603 4.516 6.135 1.00 0.00 H new ATOM 0 HA SER A 52 10.441 3.363 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.746 4.330 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.039 3.549 6.143 1.00 0.00 H new ATOM 0 HG SER A 52 12.134 5.860 5.982 1.00 0.00 H new ATOM 747 N PHE A 53 10.171 1.003 4.810 1.00 0.00 N ATOM 748 CA PHE A 53 10.075 -0.407 5.168 1.00 0.00 C ATOM 749 C PHE A 53 11.103 -1.234 4.402 1.00 0.00 C ATOM 750 O PHE A 53 11.711 -0.756 3.444 1.00 0.00 O ATOM 751 CB PHE A 53 8.666 -0.932 4.883 1.00 0.00 C ATOM 752 CG PHE A 53 8.187 -0.638 3.490 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.520 0.542 3.207 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.404 -1.544 2.464 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.078 0.816 1.926 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.965 -1.276 1.181 1.00 0.00 C ATOM 757 CZ PHE A 53 7.301 -0.095 0.912 1.00 0.00 C ATOM 0 H PHE A 53 10.396 1.175 3.830 1.00 0.00 H new ATOM 0 HA PHE A 53 10.282 -0.501 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.649 -2.010 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.971 -0.491 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.343 1.257 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.922 -2.469 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.559 1.740 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.141 -1.989 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.957 0.116 -0.090 1.00 0.00 H new ATOM 767 N SER A 54 11.291 -2.478 4.831 1.00 0.00 N ATOM 768 CA SER A 54 12.248 -3.371 4.188 1.00 0.00 C ATOM 769 C SER A 54 11.533 -4.528 3.498 1.00 0.00 C ATOM 770 O SER A 54 10.432 -4.916 3.890 1.00 0.00 O ATOM 771 CB SER A 54 13.243 -3.912 5.218 1.00 0.00 C ATOM 772 OG SER A 54 14.115 -2.891 5.670 1.00 0.00 O ATOM 0 H SER A 54 10.794 -2.890 5.620 1.00 0.00 H new ATOM 0 HA SER A 54 12.790 -2.801 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.701 -4.333 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.824 -4.722 4.777 1.00 0.00 H new ATOM 0 HG SER A 54 14.739 -3.262 6.328 1.00 0.00 H new ATOM 778 N LYS A 55 12.167 -5.077 2.468 1.00 0.00 N ATOM 779 CA LYS A 55 11.594 -6.191 1.721 1.00 0.00 C ATOM 780 C LYS A 55 11.007 -7.235 2.667 1.00 0.00 C ATOM 781 O LYS A 55 11.703 -7.763 3.533 1.00 0.00 O ATOM 782 CB LYS A 55 12.658 -6.836 0.830 1.00 0.00 C ATOM 783 CG LYS A 55 12.187 -8.105 0.142 1.00 0.00 C ATOM 784 CD LYS A 55 13.217 -8.615 -0.852 1.00 0.00 C ATOM 785 CE LYS A 55 12.886 -10.022 -1.326 1.00 0.00 C ATOM 786 NZ LYS A 55 13.290 -11.053 -0.330 1.00 0.00 N ATOM 0 H LYS A 55 13.079 -4.769 2.131 1.00 0.00 H new ATOM 0 HA LYS A 55 10.792 -5.801 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.971 -6.117 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.536 -7.065 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.990 -8.873 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.246 -7.913 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.261 -7.942 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.204 -8.608 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.815 -10.099 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.391 -10.214 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.047 -11.998 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.316 -10.997 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.789 -10.885 0.566 1.00 0.00 H new ATOM 800 N GLY A 56 9.722 -7.528 2.492 1.00 0.00 N ATOM 801 CA GLY A 56 9.064 -8.508 3.336 1.00 0.00 C ATOM 802 C GLY A 56 8.502 -7.898 4.605 1.00 0.00 C ATOM 803 O GLY A 56 8.454 -8.551 5.647 1.00 0.00 O ATOM 0 H GLY A 56 9.125 -7.104 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.257 -8.982 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.774 -9.293 3.597 1.00 0.00 H new ATOM 807 N GLN A 57 8.077 -6.641 4.517 1.00 0.00 N ATOM 808 CA GLN A 57 7.518 -5.942 5.667 1.00 0.00 C ATOM 809 C GLN A 57 6.014 -6.175 5.768 1.00 0.00 C ATOM 810 O GLN A 57 5.380 -6.631 4.815 1.00 0.00 O ATOM 811 CB GLN A 57 7.808 -4.443 5.571 1.00 0.00 C ATOM 812 CG GLN A 57 7.604 -3.699 6.880 1.00 0.00 C ATOM 813 CD GLN A 57 8.426 -4.277 8.015 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.954 -5.134 8.764 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.662 -3.812 8.149 1.00 0.00 N ATOM 0 H GLN A 57 8.109 -6.087 3.661 1.00 0.00 H new ATOM 0 HA GLN A 57 7.990 -6.339 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.836 -4.301 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.163 -4.005 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.868 -2.651 6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.548 -3.729 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.012 -3.102 7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.262 -4.165 8.895 1.00 0.00 H new ATOM 824 N LEU A 58 5.448 -5.859 6.927 1.00 0.00 N ATOM 825 CA LEU A 58 4.017 -6.034 7.153 1.00 0.00 C ATOM 826 C LEU A 58 3.243 -4.788 6.735 1.00 0.00 C ATOM 827 O LEU A 58 3.269 -3.769 7.425 1.00 0.00 O ATOM 828 CB LEU A 58 3.747 -6.345 8.626 1.00 0.00 C ATOM 829 CG LEU A 58 2.422 -5.831 9.189 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.263 -6.261 8.304 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.220 -6.326 10.614 1.00 0.00 C ATOM 0 H LEU A 58 5.958 -5.480 7.725 1.00 0.00 H new ATOM 0 HA LEU A 58 3.678 -6.872 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.781 -7.426 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.559 -5.925 9.220 1.00 0.00 H new ATOM 0 HG LEU A 58 2.455 -4.742 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.328 -5.886 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.401 -5.857 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.227 -7.349 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.272 -5.950 10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.209 -7.416 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.035 -5.967 11.243 1.00 0.00 H new ATOM 843 N ILE A 59 2.554 -4.878 5.602 1.00 0.00 N ATOM 844 CA ILE A 59 1.771 -3.759 5.094 1.00 0.00 C ATOM 845 C ILE A 59 0.350 -4.193 4.752 1.00 0.00 C ATOM 846 O ILE A 59 0.141 -5.227 4.119 1.00 0.00 O ATOM 847 CB ILE A 59 2.421 -3.138 3.844 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.742 -2.460 4.213 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.472 -2.142 3.193 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.656 -2.233 3.029 1.00 0.00 C ATOM 0 H ILE A 59 2.522 -5.714 5.019 1.00 0.00 H new ATOM 0 HA ILE A 59 1.739 -3.011 5.886 1.00 0.00 H new ATOM 0 HB ILE A 59 2.630 -3.933 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.529 -1.502 4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.261 -3.072 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.946 -1.711 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.554 -2.652 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.235 -1.348 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.573 -1.749 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.899 -3.190 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.155 -1.596 2.300 1.00 0.00 H new ATOM 862 N ASN A 60 -0.625 -3.394 5.174 1.00 0.00 N ATOM 863 CA ASN A 60 -2.028 -3.696 4.911 1.00 0.00 C ATOM 864 C ASN A 60 -2.697 -2.552 4.155 1.00 0.00 C ATOM 865 O ASN A 60 -3.037 -1.523 4.738 1.00 0.00 O ATOM 866 CB ASN A 60 -2.770 -3.957 6.223 1.00 0.00 C ATOM 867 CG ASN A 60 -2.210 -5.149 6.976 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.141 -5.661 6.643 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.933 -5.596 7.996 1.00 0.00 N ATOM 0 H ASN A 60 -0.470 -2.533 5.699 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.071 -4.592 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.709 -3.071 6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.826 -4.127 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.608 -6.395 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.813 -5.140 8.236 1.00 0.00 H new ATOM 876 N VAL A 61 -2.884 -2.741 2.852 1.00 0.00 N ATOM 877 CA VAL A 61 -3.515 -1.727 2.016 1.00 0.00 C ATOM 878 C VAL A 61 -4.897 -1.360 2.544 1.00 0.00 C ATOM 879 O VAL A 61 -5.764 -2.221 2.692 1.00 0.00 O ATOM 880 CB VAL A 61 -3.644 -2.204 0.557 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.268 -1.118 -0.307 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.287 -2.618 0.009 1.00 0.00 C ATOM 0 H VAL A 61 -2.607 -3.587 2.353 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.873 -0.847 2.047 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.300 -3.074 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.351 -1.473 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.260 -0.875 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.641 -0.227 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.398 -2.952 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.606 -1.768 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.884 -3.431 0.612 1.00 0.00 H new ATOM 892 N MET A 62 -5.096 -0.077 2.825 1.00 0.00 N ATOM 893 CA MET A 62 -6.375 0.404 3.335 1.00 0.00 C ATOM 894 C MET A 62 -7.124 1.195 2.267 1.00 0.00 C ATOM 895 O MET A 62 -8.347 1.112 2.164 1.00 0.00 O ATOM 896 CB MET A 62 -6.158 1.276 4.574 1.00 0.00 C ATOM 897 CG MET A 62 -5.204 0.666 5.588 1.00 0.00 C ATOM 898 SD MET A 62 -4.521 1.889 6.722 1.00 0.00 S ATOM 899 CE MET A 62 -5.833 1.994 7.937 1.00 0.00 C ATOM 0 H MET A 62 -4.389 0.648 2.708 1.00 0.00 H new ATOM 0 HA MET A 62 -6.978 -0.462 3.609 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.772 2.246 4.262 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.120 1.456 5.055 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.728 -0.100 6.159 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.389 0.169 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.260 2.997 7.925 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.609 1.266 7.699 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.429 1.783 8.927 1.00 0.00 H new ATOM 909 N ASN A 63 -6.381 1.961 1.475 1.00 0.00 N ATOM 910 CA ASN A 63 -6.976 2.767 0.415 1.00 0.00 C ATOM 911 C ASN A 63 -6.179 2.637 -0.880 1.00 0.00 C ATOM 912 O ASN A 63 -5.142 3.279 -1.052 1.00 0.00 O ATOM 913 CB ASN A 63 -7.044 4.235 0.839 1.00 0.00 C ATOM 914 CG ASN A 63 -7.913 5.065 -0.085 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.415 5.731 -0.993 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.221 5.028 0.141 1.00 0.00 N ATOM 0 H ASN A 63 -5.367 2.041 1.547 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.987 2.400 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.434 4.299 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.037 4.652 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.856 5.565 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.591 4.462 0.905 1.00 0.00 H new ATOM 923 N LYS A 64 -6.670 1.802 -1.789 1.00 0.00 N ATOM 924 CA LYS A 64 -6.007 1.587 -3.070 1.00 0.00 C ATOM 925 C LYS A 64 -6.814 2.200 -4.210 1.00 0.00 C ATOM 926 O LYS A 64 -6.928 1.614 -5.287 1.00 0.00 O ATOM 927 CB LYS A 64 -5.806 0.091 -3.319 1.00 0.00 C ATOM 928 CG LYS A 64 -7.104 -0.671 -3.526 1.00 0.00 C ATOM 929 CD LYS A 64 -6.893 -1.911 -4.378 1.00 0.00 C ATOM 930 CE LYS A 64 -6.205 -3.017 -3.592 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.130 -3.665 -2.621 1.00 0.00 N ATOM 0 H LYS A 64 -7.526 1.262 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.034 2.076 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.173 -0.041 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.272 -0.341 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.516 -0.959 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.837 -0.021 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.855 -2.269 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.292 -1.656 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.819 -3.767 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.349 -2.605 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.633 -3.824 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.951 -3.048 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.453 -4.576 -3.004 1.00 0.00 H new ATOM 945 N ASP A 65 -7.370 3.382 -3.966 1.00 0.00 N ATOM 946 CA ASP A 65 -8.164 4.075 -4.974 1.00 0.00 C ATOM 947 C ASP A 65 -7.398 4.185 -6.289 1.00 0.00 C ATOM 948 O ASP A 65 -7.933 3.887 -7.357 1.00 0.00 O ATOM 949 CB ASP A 65 -8.553 5.468 -4.478 1.00 0.00 C ATOM 950 CG ASP A 65 -8.867 6.421 -5.614 1.00 0.00 C ATOM 951 OD1 ASP A 65 -9.424 5.965 -6.634 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.553 7.623 -5.485 1.00 0.00 O ATOM 0 H ASP A 65 -7.286 3.880 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.070 3.494 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.422 5.388 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.740 5.877 -3.879 1.00 0.00 H new ATOM 957 N ASP A 66 -6.144 4.615 -6.202 1.00 0.00 N ATOM 958 CA ASP A 66 -5.304 4.765 -7.385 1.00 0.00 C ATOM 959 C ASP A 66 -4.444 3.524 -7.601 1.00 0.00 C ATOM 960 O ASP A 66 -3.715 3.081 -6.713 1.00 0.00 O ATOM 961 CB ASP A 66 -4.414 6.001 -7.251 1.00 0.00 C ATOM 962 CG ASP A 66 -5.084 7.256 -7.775 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.050 7.723 -7.136 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.642 7.772 -8.823 1.00 0.00 O ATOM 0 H ASP A 66 -5.687 4.866 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.955 4.889 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.151 6.144 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.483 5.836 -7.794 1.00 0.00 H new ATOM 969 N PRO A 67 -4.530 2.946 -8.809 1.00 0.00 N ATOM 970 CA PRO A 67 -3.766 1.748 -9.169 1.00 0.00 C ATOM 971 C PRO A 67 -2.274 2.029 -9.302 1.00 0.00 C ATOM 972 O PRO A 67 -1.491 1.139 -9.634 1.00 0.00 O ATOM 973 CB PRO A 67 -4.357 1.345 -10.523 1.00 0.00 C ATOM 974 CG PRO A 67 -4.901 2.611 -11.090 1.00 0.00 C ATOM 975 CD PRO A 67 -5.378 3.419 -9.915 1.00 0.00 C ATOM 0 HA PRO A 67 -3.841 0.972 -8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.597 0.914 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.139 0.595 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.135 3.149 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.718 2.409 -11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.255 4.488 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.435 3.248 -9.712 1.00 0.00 H new ATOM 983 N ASP A 68 -1.885 3.272 -9.039 1.00 0.00 N ATOM 984 CA ASP A 68 -0.485 3.671 -9.127 1.00 0.00 C ATOM 985 C ASP A 68 0.174 3.648 -7.752 1.00 0.00 C ATOM 986 O ASP A 68 1.272 3.115 -7.588 1.00 0.00 O ATOM 987 CB ASP A 68 -0.368 5.067 -9.739 1.00 0.00 C ATOM 988 CG ASP A 68 -1.406 5.317 -10.815 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.567 5.617 -10.463 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.059 5.214 -12.010 1.00 0.00 O ATOM 0 H ASP A 68 -2.520 4.021 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 68 0.031 2.957 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.476 5.815 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.628 5.192 -10.163 1.00 0.00 H new ATOM 995 N TRP A 69 -0.502 4.229 -6.768 1.00 0.00 N ATOM 996 CA TRP A 69 0.019 4.276 -5.406 1.00 0.00 C ATOM 997 C TRP A 69 -1.003 3.734 -4.413 1.00 0.00 C ATOM 998 O TRP A 69 -2.206 3.944 -4.570 1.00 0.00 O ATOM 999 CB TRP A 69 0.401 5.709 -5.034 1.00 0.00 C ATOM 1000 CG TRP A 69 1.772 6.098 -5.499 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.172 6.304 -6.788 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.922 6.327 -4.678 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.502 6.646 -6.819 1.00 0.00 N ATOM 1004 CE2 TRP A 69 3.985 6.668 -5.537 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.158 6.278 -3.302 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.262 6.958 -5.063 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.426 6.566 -2.832 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.464 6.902 -3.710 1.00 0.00 C ATOM 0 H TRP A 69 -1.412 4.674 -6.887 1.00 0.00 H new ATOM 0 HA TRP A 69 0.908 3.647 -5.362 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.329 6.395 -5.464 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.346 5.823 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.536 6.212 -7.656 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.042 6.850 -7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.364 6.020 -2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.064 7.218 -5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.619 6.531 -1.770 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.444 7.121 -3.312 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.518 3.038 -3.392 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.392 2.467 -2.372 1.00 0.00 C ATOM 1021 C TRP A 70 -0.956 2.901 -0.977 1.00 0.00 C ATOM 1022 O TRP A 70 0.199 3.271 -0.766 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.392 0.941 -2.469 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.070 0.424 -3.702 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.986 1.083 -4.471 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.886 -0.862 -4.305 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.382 0.284 -5.517 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.722 -0.913 -5.438 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.095 -1.973 -4.001 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.788 -2.032 -6.263 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.163 -3.083 -4.821 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.004 -3.106 -5.942 1.00 0.00 C ATOM 0 H TRP A 70 0.475 2.855 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.403 2.835 -2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.363 0.583 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.888 0.528 -1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.346 2.084 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.058 0.541 -6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.442 -1.964 -3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.436 -2.052 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.558 -3.948 -4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.034 -3.988 -6.564 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.886 2.851 -0.029 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.596 3.240 1.346 1.00 0.00 C ATOM 1045 C GLN A 71 -1.691 2.040 2.282 1.00 0.00 C ATOM 1046 O GLN A 71 -2.717 1.364 2.339 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.561 4.336 1.803 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.250 4.881 3.187 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.905 6.224 3.446 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.493 6.824 2.546 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.805 6.704 4.680 1.00 0.00 N ATOM 0 H GLN A 71 -2.846 2.545 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.577 3.626 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.534 5.155 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.577 3.940 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.586 4.166 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.170 4.980 3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.308 6.173 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.225 7.604 4.913 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.612 1.780 3.015 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.595 0.661 3.939 1.00 0.00 C ATOM 1062 C GLY A 72 -0.112 1.057 5.320 1.00 0.00 C ATOM 1063 O GLY A 72 0.211 2.219 5.562 1.00 0.00 O ATOM 0 H GLY A 72 0.250 2.324 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.598 0.241 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.050 -0.123 3.543 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.064 0.088 6.229 1.00 0.00 N ATOM 1068 CA GLU A 73 0.381 0.343 7.594 1.00 0.00 C ATOM 1069 C GLU A 73 1.450 -0.662 8.014 1.00 0.00 C ATOM 1070 O GLU A 73 1.372 -1.844 7.679 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.804 0.278 8.560 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.531 -1.057 8.544 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.999 -2.023 9.584 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -0.909 -1.633 10.767 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.674 -3.171 9.215 1.00 0.00 O ATOM 0 H GLU A 73 -0.328 -0.880 6.045 1.00 0.00 H new ATOM 0 HA GLU A 73 0.814 1.343 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.449 0.476 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.510 1.070 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.594 -0.890 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.437 -1.506 7.555 1.00 0.00 H new ATOM 1082 N ILE A 74 2.447 -0.182 8.749 1.00 0.00 N ATOM 1083 CA ILE A 74 3.532 -1.037 9.216 1.00 0.00 C ATOM 1084 C ILE A 74 3.848 -0.773 10.684 1.00 0.00 C ATOM 1085 O ILE A 74 4.572 0.165 11.014 1.00 0.00 O ATOM 1086 CB ILE A 74 4.810 -0.830 8.382 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.500 -0.966 6.890 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.881 -1.828 8.798 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.614 -0.473 5.994 1.00 0.00 C ATOM 0 H ILE A 74 2.526 0.794 9.034 1.00 0.00 H new ATOM 0 HA ILE A 74 3.194 -2.067 9.100 1.00 0.00 H new ATOM 0 HB ILE A 74 5.186 0.176 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.299 -2.013 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.590 -0.410 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.778 -1.669 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.119 -1.688 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.514 -2.842 8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.325 -0.600 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.801 0.582 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.520 -1.045 6.192 1.00 0.00 H new ATOM 1101 N ASN A 75 3.300 -1.607 11.561 1.00 0.00 N ATOM 1102 CA ASN A 75 3.524 -1.465 12.995 1.00 0.00 C ATOM 1103 C ASN A 75 2.912 -0.167 13.515 1.00 0.00 C ATOM 1104 O ASN A 75 3.558 0.590 14.239 1.00 0.00 O ATOM 1105 CB ASN A 75 5.022 -1.495 13.304 1.00 0.00 C ATOM 1106 CG ASN A 75 5.522 -2.895 13.606 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.093 -3.523 14.574 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.433 -3.389 12.776 1.00 0.00 N ATOM 0 H ASN A 75 2.697 -2.389 11.304 1.00 0.00 H new ATOM 0 HA ASN A 75 3.039 -2.302 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.573 -1.090 12.455 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.228 -0.847 14.156 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.807 -4.326 12.928 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.759 -2.832 11.986 1.00 0.00 H new ATOM 1115 N GLY A 76 1.661 0.083 13.140 1.00 0.00 N ATOM 1116 CA GLY A 76 0.983 1.289 13.578 1.00 0.00 C ATOM 1117 C GLY A 76 1.457 2.523 12.835 1.00 0.00 C ATOM 1118 O GLY A 76 1.062 3.643 13.161 1.00 0.00 O ATOM 0 H GLY A 76 1.105 -0.528 12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.091 1.171 13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.147 1.427 14.647 1.00 0.00 H new ATOM 1122 N VAL A 77 2.307 2.319 11.834 1.00 0.00 N ATOM 1123 CA VAL A 77 2.836 3.424 11.043 1.00 0.00 C ATOM 1124 C VAL A 77 2.176 3.482 9.670 1.00 0.00 C ATOM 1125 O VAL A 77 2.057 2.467 8.982 1.00 0.00 O ATOM 1126 CB VAL A 77 4.361 3.305 10.863 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.691 2.521 9.602 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.002 4.685 10.826 1.00 0.00 C ATOM 0 H VAL A 77 2.644 1.399 11.551 1.00 0.00 H new ATOM 0 HA VAL A 77 2.612 4.340 11.589 1.00 0.00 H new ATOM 0 HB VAL A 77 4.769 2.762 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.773 2.448 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.265 1.520 9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.272 3.033 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.080 4.582 10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.591 5.255 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.795 5.207 11.760 1.00 0.00 H new ATOM 1138 N THR A 78 1.749 4.677 9.275 1.00 0.00 N ATOM 1139 CA THR A 78 1.100 4.868 7.984 1.00 0.00 C ATOM 1140 C THR A 78 1.937 5.760 7.075 1.00 0.00 C ATOM 1141 O THR A 78 2.584 6.700 7.535 1.00 0.00 O ATOM 1142 CB THR A 78 -0.300 5.489 8.145 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.228 6.648 8.984 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.273 4.484 8.743 1.00 0.00 C ATOM 0 H THR A 78 1.841 5.527 9.831 1.00 0.00 H new ATOM 0 HA THR A 78 1.002 3.882 7.531 1.00 0.00 H new ATOM 0 HB THR A 78 -0.661 5.777 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.122 7.038 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.255 4.946 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.348 3.616 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.914 4.169 9.723 1.00 0.00 H new ATOM 1152 N GLY A 79 1.921 5.459 5.779 1.00 0.00 N ATOM 1153 CA GLY A 79 2.682 6.244 4.826 1.00 0.00 C ATOM 1154 C GLY A 79 2.179 6.079 3.406 1.00 0.00 C ATOM 1155 O GLY A 79 1.115 5.501 3.179 1.00 0.00 O ATOM 0 H GLY A 79 1.394 4.685 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.633 7.296 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.731 5.950 4.873 1.00 0.00 H new ATOM 1159 N LEU A 80 2.943 6.588 2.446 1.00 0.00 N ATOM 1160 CA LEU A 80 2.568 6.496 1.039 1.00 0.00 C ATOM 1161 C LEU A 80 3.611 5.712 0.248 1.00 0.00 C ATOM 1162 O LEU A 80 4.809 5.979 0.346 1.00 0.00 O ATOM 1163 CB LEU A 80 2.404 7.895 0.442 1.00 0.00 C ATOM 1164 CG LEU A 80 1.128 8.644 0.828 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.159 10.065 0.289 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.100 7.904 0.318 1.00 0.00 C ATOM 0 H LEU A 80 3.826 7.069 2.616 1.00 0.00 H new ATOM 0 HA LEU A 80 1.617 5.967 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.261 8.499 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.438 7.811 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 80 1.073 8.692 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.243 10.582 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.018 10.593 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.239 10.040 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.999 8.452 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.052 7.824 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.130 6.906 0.754 1.00 0.00 H new ATOM 1178 N PHE A 81 3.146 4.746 -0.537 1.00 0.00 N ATOM 1179 CA PHE A 81 4.038 3.924 -1.347 1.00 0.00 C ATOM 1180 C PHE A 81 3.347 3.472 -2.630 1.00 0.00 C ATOM 1181 O PHE A 81 2.122 3.368 -2.701 1.00 0.00 O ATOM 1182 CB PHE A 81 4.506 2.704 -0.550 1.00 0.00 C ATOM 1183 CG PHE A 81 3.380 1.913 0.050 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.440 1.296 -0.760 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.261 1.785 1.425 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.403 0.566 -0.210 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.226 1.056 1.980 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.295 0.447 1.161 1.00 0.00 C ATOM 0 H PHE A 81 2.157 4.513 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 81 4.904 4.529 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.088 2.054 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.173 3.034 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.519 1.387 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.985 2.260 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.678 0.089 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.145 0.963 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.484 -0.121 1.593 1.00 0.00 H new ATOM 1198 N PRO A 82 4.149 3.198 -3.669 1.00 0.00 N ATOM 1199 CA PRO A 82 3.637 2.754 -4.969 1.00 0.00 C ATOM 1200 C PRO A 82 3.064 1.342 -4.914 1.00 0.00 C ATOM 1201 O PRO A 82 3.534 0.500 -4.148 1.00 0.00 O ATOM 1202 CB PRO A 82 4.874 2.793 -5.869 1.00 0.00 C ATOM 1203 CG PRO A 82 6.026 2.632 -4.939 1.00 0.00 C ATOM 1204 CD PRO A 82 5.618 3.301 -3.655 1.00 0.00 C ATOM 0 HA PRO A 82 2.817 3.381 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.849 1.994 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.936 3.734 -6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.251 1.578 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.926 3.090 -5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.048 2.801 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.948 4.339 -3.620 1.00 0.00 H new ATOM 1212 N SER A 83 2.046 1.089 -5.730 1.00 0.00 N ATOM 1213 CA SER A 83 1.406 -0.220 -5.771 1.00 0.00 C ATOM 1214 C SER A 83 2.234 -1.204 -6.592 1.00 0.00 C ATOM 1215 O SER A 83 1.779 -2.302 -6.910 1.00 0.00 O ATOM 1216 CB SER A 83 -0.002 -0.105 -6.360 1.00 0.00 C ATOM 1217 OG SER A 83 0.045 0.295 -7.719 1.00 0.00 O ATOM 0 H SER A 83 1.647 1.774 -6.372 1.00 0.00 H new ATOM 0 HA SER A 83 1.335 -0.595 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.514 -1.064 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.582 0.617 -5.785 1.00 0.00 H new ATOM 0 HG SER A 83 -0.865 0.465 -8.042 1.00 0.00 H new ATOM 1223 N ASN A 84 3.454 -0.801 -6.933 1.00 0.00 N ATOM 1224 CA ASN A 84 4.347 -1.645 -7.718 1.00 0.00 C ATOM 1225 C ASN A 84 5.466 -2.210 -6.848 1.00 0.00 C ATOM 1226 O ASN A 84 6.180 -3.126 -7.255 1.00 0.00 O ATOM 1227 CB ASN A 84 4.942 -0.851 -8.882 1.00 0.00 C ATOM 1228 CG ASN A 84 5.127 0.617 -8.545 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.172 1.021 -8.034 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.110 1.422 -8.831 1.00 0.00 N ATOM 0 H ASN A 84 3.847 0.105 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 84 3.764 -2.476 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.904 -1.282 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.291 -0.942 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.176 2.419 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.263 1.043 -9.254 1.00 0.00 H new ATOM 1237 N TYR A 85 5.611 -1.658 -5.649 1.00 0.00 N ATOM 1238 CA TYR A 85 6.643 -2.105 -4.721 1.00 0.00 C ATOM 1239 C TYR A 85 6.089 -3.140 -3.747 1.00 0.00 C ATOM 1240 O TYR A 85 6.761 -3.533 -2.793 1.00 0.00 O ATOM 1241 CB TYR A 85 7.214 -0.915 -3.948 1.00 0.00 C ATOM 1242 CG TYR A 85 8.419 -0.284 -4.611 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.282 0.477 -5.765 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.693 -0.449 -4.081 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.380 1.054 -6.374 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.796 0.126 -4.682 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.634 0.876 -5.828 1.00 0.00 C ATOM 1248 OH TYR A 85 11.730 1.450 -6.431 1.00 0.00 O ATOM 0 H TYR A 85 5.027 -0.900 -5.296 1.00 0.00 H new ATOM 0 HA TYR A 85 7.441 -2.569 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.436 -0.160 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.491 -1.242 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.301 0.620 -6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.823 -1.037 -3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.257 1.641 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.779 -0.011 -4.257 1.00 0.00 H new ATOM 0 HH TYR A 85 12.537 1.229 -5.921 1.00 0.00 H new ATOM 1258 N VAL A 86 4.859 -3.577 -3.994 1.00 0.00 N ATOM 1259 CA VAL A 86 4.214 -4.568 -3.141 1.00 0.00 C ATOM 1260 C VAL A 86 3.543 -5.656 -3.973 1.00 0.00 C ATOM 1261 O VAL A 86 3.186 -5.437 -5.130 1.00 0.00 O ATOM 1262 CB VAL A 86 3.162 -3.918 -2.223 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.805 -2.859 -1.340 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.031 -3.321 -3.048 1.00 0.00 C ATOM 0 H VAL A 86 4.289 -3.260 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 86 4.996 -5.014 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 86 2.742 -4.689 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.046 -2.411 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.576 -3.319 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.253 -2.087 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.297 -2.866 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.432 -2.562 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.553 -4.107 -3.633 1.00 0.00 H new ATOM 1274 N LYS A 87 3.375 -6.830 -3.374 1.00 0.00 N ATOM 1275 CA LYS A 87 2.745 -7.954 -4.057 1.00 0.00 C ATOM 1276 C LYS A 87 1.609 -8.533 -3.220 1.00 0.00 C ATOM 1277 O LYS A 87 1.806 -8.907 -2.065 1.00 0.00 O ATOM 1278 CB LYS A 87 3.780 -9.042 -4.353 1.00 0.00 C ATOM 1279 CG LYS A 87 4.465 -8.881 -5.699 1.00 0.00 C ATOM 1280 CD LYS A 87 5.770 -9.657 -5.758 1.00 0.00 C ATOM 1281 CE LYS A 87 5.544 -11.095 -6.199 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.294 -11.997 -5.041 1.00 0.00 N ATOM 0 H LYS A 87 3.666 -7.028 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 87 2.330 -7.589 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.536 -9.036 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.291 -10.016 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.800 -9.226 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.660 -7.825 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.455 -9.167 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.245 -9.647 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.695 -11.136 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.415 -11.447 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.684 -12.940 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.753 -11.608 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.270 -12.074 -4.876 1.00 0.00 H new ATOM 1296 N MET A 88 0.421 -8.604 -3.812 1.00 0.00 N ATOM 1297 CA MET A 88 -0.746 -9.140 -3.121 1.00 0.00 C ATOM 1298 C MET A 88 -0.406 -10.450 -2.416 1.00 0.00 C ATOM 1299 O MET A 88 -0.178 -11.473 -3.061 1.00 0.00 O ATOM 1300 CB MET A 88 -1.893 -9.362 -4.108 1.00 0.00 C ATOM 1301 CG MET A 88 -2.534 -8.072 -4.594 1.00 0.00 C ATOM 1302 SD MET A 88 -4.193 -8.325 -5.253 1.00 0.00 S ATOM 1303 CE MET A 88 -5.009 -6.829 -4.701 1.00 0.00 C ATOM 0 H MET A 88 0.241 -8.297 -4.768 1.00 0.00 H new ATOM 0 HA MET A 88 -1.058 -8.414 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.519 -9.919 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.655 -9.981 -3.634 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.580 -7.361 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.905 -7.627 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.047 -6.837 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.976 -6.777 -3.613 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.501 -5.961 -5.121 1.00 0.00 H new ATOM 1313 N THR A 89 -0.374 -10.411 -1.087 1.00 0.00 N ATOM 1314 CA THR A 89 -0.060 -11.593 -0.295 1.00 0.00 C ATOM 1315 C THR A 89 -1.101 -12.687 -0.506 1.00 0.00 C ATOM 1316 O THR A 89 -0.765 -13.869 -0.600 1.00 0.00 O ATOM 1317 CB THR A 89 0.019 -11.259 1.206 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.259 -10.819 1.679 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.060 -10.180 1.466 1.00 0.00 C ATOM 0 H THR A 89 -0.562 -9.573 -0.537 1.00 0.00 H new ATOM 0 HA THR A 89 0.913 -11.950 -0.632 1.00 0.00 H new ATOM 0 HB THR A 89 0.312 -12.162 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.638 -10.175 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.098 -9.961 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.037 -10.529 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.792 -9.276 0.919 1.00 0.00 H new ATOM 1327 N THR A 90 -2.367 -12.288 -0.581 1.00 0.00 N ATOM 1328 CA THR A 90 -3.456 -13.235 -0.781 1.00 0.00 C ATOM 1329 C THR A 90 -3.407 -14.356 0.251 1.00 0.00 C ATOM 1330 O THR A 90 -3.719 -15.507 -0.053 1.00 0.00 O ATOM 1331 CB THR A 90 -3.415 -13.850 -2.192 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.347 -14.800 -2.281 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.228 -12.770 -3.248 1.00 0.00 C ATOM 0 H THR A 90 -2.663 -11.315 -0.506 1.00 0.00 H new ATOM 0 HA THR A 90 -4.385 -12.677 -0.663 1.00 0.00 H new ATOM 0 HB THR A 90 -4.365 -14.353 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.711 -14.646 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.202 -13.228 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.057 -12.064 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.291 -12.243 -3.068 1.00 0.00 H new ATOM 1341 N ASP A 91 -3.013 -14.012 1.473 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.925 -14.990 2.551 1.00 0.00 C ATOM 1343 C ASP A 91 -4.071 -14.811 3.542 1.00 0.00 C ATOM 1344 O ASP A 91 -4.406 -13.689 3.922 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.583 -14.862 3.275 1.00 0.00 C ATOM 1346 CG ASP A 91 -0.407 -15.193 2.378 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -0.402 -16.294 1.790 1.00 0.00 O ATOM 1348 OD2 ASP A 91 0.508 -14.351 2.264 1.00 0.00 O ATOM 0 H ASP A 91 -2.750 -13.064 1.741 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.000 -15.985 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.473 -13.846 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.575 -15.526 4.139 1.00 0.00 H new ATOM 1353 N SER A 92 -4.668 -15.924 3.955 1.00 0.00 N ATOM 1354 CA SER A 92 -5.780 -15.891 4.898 1.00 0.00 C ATOM 1355 C SER A 92 -5.280 -15.645 6.318 1.00 0.00 C ATOM 1356 O SER A 92 -4.115 -15.891 6.630 1.00 0.00 O ATOM 1357 CB SER A 92 -6.564 -17.203 4.841 1.00 0.00 C ATOM 1358 OG SER A 92 -7.500 -17.192 3.777 1.00 0.00 O ATOM 0 H SER A 92 -4.400 -16.860 3.651 1.00 0.00 H new ATOM 0 HA SER A 92 -6.439 -15.070 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.874 -18.037 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.084 -17.361 5.786 1.00 0.00 H new ATOM 0 HG SER A 92 -7.987 -18.042 3.761 1.00 0.00 H new ATOM 1364 N SER A 93 -6.171 -15.157 7.176 1.00 0.00 N ATOM 1365 CA SER A 93 -5.821 -14.874 8.563 1.00 0.00 C ATOM 1366 C SER A 93 -6.661 -15.717 9.518 1.00 0.00 C ATOM 1367 O SER A 93 -7.717 -16.227 9.149 1.00 0.00 O ATOM 1368 CB SER A 93 -6.019 -13.388 8.868 1.00 0.00 C ATOM 1369 OG SER A 93 -5.191 -12.584 8.045 1.00 0.00 O ATOM 0 H SER A 93 -7.140 -14.950 6.935 1.00 0.00 H new ATOM 0 HA SER A 93 -4.771 -15.130 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.064 -13.118 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.792 -13.195 9.917 1.00 0.00 H new ATOM 0 HG SER A 93 -5.337 -11.639 8.258 1.00 0.00 H new ATOM 1375 N GLY A 94 -6.182 -15.858 10.751 1.00 0.00 N ATOM 1376 CA GLY A 94 -6.900 -16.639 11.741 1.00 0.00 C ATOM 1377 C GLY A 94 -8.194 -15.978 12.174 1.00 0.00 C ATOM 1378 O GLY A 94 -9.229 -16.104 11.520 1.00 0.00 O ATOM 0 H GLY A 94 -5.310 -15.445 11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.119 -17.626 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.263 -16.789 12.613 1.00 0.00 H new ATOM 1382 N PRO A 95 -8.145 -15.256 13.303 1.00 0.00 N ATOM 1383 CA PRO A 95 -9.313 -14.560 13.849 1.00 0.00 C ATOM 1384 C PRO A 95 -9.733 -13.371 12.991 1.00 0.00 C ATOM 1385 O PRO A 95 -8.942 -12.460 12.747 1.00 0.00 O ATOM 1386 CB PRO A 95 -8.834 -14.085 15.223 1.00 0.00 C ATOM 1387 CG PRO A 95 -7.354 -13.979 15.092 1.00 0.00 C ATOM 1388 CD PRO A 95 -6.944 -15.063 14.134 1.00 0.00 C ATOM 0 HA PRO A 95 -10.190 -15.206 13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.278 -13.125 15.487 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.113 -14.791 16.005 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.065 -12.997 14.717 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.867 -14.107 16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.084 -14.765 13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.666 -15.978 14.657 1.00 0.00 H new ATOM 1396 N SER A 96 -10.982 -13.386 12.537 1.00 0.00 N ATOM 1397 CA SER A 96 -11.505 -12.311 11.703 1.00 0.00 C ATOM 1398 C SER A 96 -12.752 -11.694 12.331 1.00 0.00 C ATOM 1399 O SER A 96 -13.670 -12.404 12.742 1.00 0.00 O ATOM 1400 CB SER A 96 -11.832 -12.834 10.303 1.00 0.00 C ATOM 1401 OG SER A 96 -10.649 -13.113 9.575 1.00 0.00 O ATOM 0 H SER A 96 -11.651 -14.131 12.733 1.00 0.00 H new ATOM 0 HA SER A 96 -10.738 -11.540 11.625 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.437 -13.737 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.428 -12.097 9.766 1.00 0.00 H new ATOM 0 HG SER A 96 -10.884 -13.447 8.684 1.00 0.00 H new ATOM 1407 N SER A 97 -12.775 -10.367 12.403 1.00 0.00 N ATOM 1408 CA SER A 97 -13.906 -9.653 12.984 1.00 0.00 C ATOM 1409 C SER A 97 -14.657 -8.862 11.916 1.00 0.00 C ATOM 1410 O SER A 97 -14.338 -7.705 11.646 1.00 0.00 O ATOM 1411 CB SER A 97 -13.428 -8.711 14.090 1.00 0.00 C ATOM 1412 OG SER A 97 -13.243 -9.408 15.310 1.00 0.00 O ATOM 0 H SER A 97 -12.024 -9.765 12.066 1.00 0.00 H new ATOM 0 HA SER A 97 -14.587 -10.389 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.491 -8.240 13.791 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.156 -7.912 14.231 1.00 0.00 H new ATOM 0 HG SER A 97 -12.936 -8.784 16.000 1.00 0.00 H new ATOM 1418 N GLY A 98 -15.657 -9.497 11.312 1.00 0.00 N ATOM 1419 CA GLY A 98 -16.437 -8.839 10.281 1.00 0.00 C ATOM 1420 C GLY A 98 -17.538 -9.726 9.732 1.00 0.00 C ATOM 1421 O GLY A 98 -18.687 -9.300 9.615 1.00 0.00 O ATOM 0 H GLY A 98 -15.940 -10.455 11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.877 -7.929 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.777 -8.538 9.467 1.00 0.00 H new TER 1425 GLY A 98