USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 56 LYS NZ :NH3+ -170:sc= -4.74! (180deg=-5.47!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ 170:sc=-0.000831 (180deg=0) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 1 ASP N :NH3+ 150:sc= -0.0137 (180deg=0) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0.291 USER MOD Set 3.2: A 62 GLN : amide:sc= -0.0763 K(o=0.22,f=0.81) USER MOD Set 4.1: A 17 THR OG1 : rot -170:sc= -1.92! USER MOD Set 4.2: A 20 GLN : amide:sc= 0 X(o=-1.9,f=-2) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0116 (180deg=-0.199) USER MOD Single : A 2 SER OG : rot 180:sc= -0.325 USER MOD Single : A 6 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 31:sc= -1.55! USER MOD Single : A 13 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= -0.033 USER MOD Single : A 23 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.18) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.042) USER MOD Single : A 40 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.2!) USER MOD Single : A 44 SER OG : rot -98:sc= -1.13! USER MOD Single : A 48 SER OG : rot 53:sc= -5.11! USER MOD Single : A 57 HIS : no HE2:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 58 CYS SG : rot 85:sc= -1.84! USER MOD Single : A 61 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.9!) USER MOD Single : A 65 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.12) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 68 MET CE :methyl -176:sc= -1.8 (180deg=-1.91) USER MOD Single : A 71 ASN : amide:sc= 0.207 K(o=0.21,f=-3.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -1.08 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 56:sc= -1.06! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 139:sc= -0.508 (180deg=-4.01!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 103 ASN : amide:sc=-0.000711 K(o=-0.00071,f=-2.4!) USER MOD Single : A 104 SER OG : rot 1:sc= 0.693! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.712 22.051 16.361 1.00 0.00 N ATOM 2 CA GLY A 1 -10.362 20.719 15.791 1.00 0.00 C ATOM 3 C GLY A 1 -11.397 20.326 14.735 1.00 0.00 C ATOM 4 O GLY A 1 -11.102 19.606 13.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.933 22.386 16.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.869 22.729 15.588 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.579 21.968 16.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.368 20.752 15.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.332 19.970 16.582 1.00 0.00 H new ATOM 10 N SER A 2 -12.607 20.793 14.875 1.00 0.00 N ATOM 11 CA SER A 2 -13.659 20.446 13.878 1.00 0.00 C ATOM 12 C SER A 2 -13.890 18.934 13.885 1.00 0.00 C ATOM 13 O SER A 2 -13.160 18.198 14.520 1.00 0.00 O ATOM 14 CB SER A 2 -13.208 20.886 12.485 1.00 0.00 C ATOM 15 OG SER A 2 -14.113 21.862 11.985 1.00 0.00 O ATOM 0 H SER A 2 -12.913 21.399 15.636 1.00 0.00 H new ATOM 0 HA SER A 2 -14.586 20.957 14.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.200 21.297 12.530 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.173 20.028 11.814 1.00 0.00 H new ATOM 0 HG SER A 2 -13.826 22.148 11.093 1.00 0.00 H new ATOM 21 N PRO A 3 -14.904 18.522 13.176 1.00 0.00 N ATOM 22 CA PRO A 3 -15.321 17.103 13.035 1.00 0.00 C ATOM 23 C PRO A 3 -14.424 16.386 12.022 1.00 0.00 C ATOM 24 O PRO A 3 -14.586 16.528 10.826 1.00 0.00 O ATOM 25 CB PRO A 3 -16.762 17.148 12.532 1.00 0.00 C ATOM 26 CG PRO A 3 -16.935 18.512 11.859 1.00 0.00 C ATOM 27 CD PRO A 3 -15.810 19.409 12.393 1.00 0.00 C ATOM 0 HA PRO A 3 -15.240 16.560 13.977 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.954 16.339 11.827 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.466 17.028 13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.875 18.420 10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.912 18.937 12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.273 19.888 11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.212 20.205 13.020 1.00 0.00 H new ATOM 35 N GLY A 4 -13.481 15.616 12.490 1.00 0.00 N ATOM 36 CA GLY A 4 -12.576 14.889 11.554 1.00 0.00 C ATOM 37 C GLY A 4 -12.897 13.395 11.597 1.00 0.00 C ATOM 38 O GLY A 4 -12.512 12.694 12.511 1.00 0.00 O ATOM 0 H GLY A 4 -13.297 15.458 13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.700 15.270 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.536 15.057 11.832 1.00 0.00 H new ATOM 42 N ILE A 5 -13.600 12.901 10.614 1.00 0.00 N ATOM 43 CA ILE A 5 -13.947 11.451 10.601 1.00 0.00 C ATOM 44 C ILE A 5 -13.195 10.752 9.467 1.00 0.00 C ATOM 45 O ILE A 5 -12.800 9.609 9.584 1.00 0.00 O ATOM 46 CB ILE A 5 -15.453 11.291 10.388 1.00 0.00 C ATOM 47 CG1 ILE A 5 -15.825 9.809 10.483 1.00 0.00 C ATOM 48 CG2 ILE A 5 -15.832 11.823 9.005 1.00 0.00 C ATOM 49 CD1 ILE A 5 -16.297 9.492 11.903 1.00 0.00 C ATOM 0 H ILE A 5 -13.949 13.438 9.820 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.663 11.002 11.553 1.00 0.00 H new ATOM 0 HB ILE A 5 -15.990 11.852 11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.611 9.574 9.766 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.965 9.190 10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.905 11.709 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.566 12.878 8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -15.296 11.262 8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.562 8.437 11.971 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.497 9.712 12.610 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -17.169 10.101 12.141 1.00 0.00 H new ATOM 61 N HIS A 6 -12.995 11.427 8.368 1.00 0.00 N ATOM 62 CA HIS A 6 -12.270 10.795 7.229 1.00 0.00 C ATOM 63 C HIS A 6 -10.809 11.248 7.235 1.00 0.00 C ATOM 64 O HIS A 6 -9.945 10.590 6.691 1.00 0.00 O ATOM 65 CB HIS A 6 -12.927 11.215 5.912 1.00 0.00 C ATOM 66 CG HIS A 6 -12.180 10.597 4.763 1.00 0.00 C ATOM 67 ND1 HIS A 6 -11.774 11.336 3.663 1.00 0.00 N ATOM 68 CD2 HIS A 6 -11.759 9.311 4.527 1.00 0.00 C ATOM 69 CE1 HIS A 6 -11.138 10.497 2.824 1.00 0.00 C ATOM 70 NE2 HIS A 6 -11.102 9.251 3.302 1.00 0.00 N ATOM 0 H HIS A 6 -13.302 12.387 8.210 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.313 9.711 7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.970 10.898 5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.923 12.301 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.914 8.474 5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.709 10.796 1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.683 8.431 2.863 1.00 0.00 H new ATOM 78 N GLU A 7 -10.524 12.365 7.846 1.00 0.00 N ATOM 79 CA GLU A 7 -9.121 12.860 7.888 1.00 0.00 C ATOM 80 C GLU A 7 -8.664 13.193 6.460 1.00 0.00 C ATOM 81 O GLU A 7 -9.198 12.687 5.493 1.00 0.00 O ATOM 82 CB GLU A 7 -8.224 11.783 8.539 1.00 0.00 C ATOM 83 CG GLU A 7 -7.233 11.187 7.530 1.00 0.00 C ATOM 84 CD GLU A 7 -6.172 10.374 8.274 1.00 0.00 C ATOM 85 OE1 GLU A 7 -5.541 10.931 9.159 1.00 0.00 O ATOM 86 OE2 GLU A 7 -6.008 9.210 7.949 1.00 0.00 O ATOM 0 H GLU A 7 -11.206 12.958 8.319 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.049 13.768 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.676 12.221 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.848 10.989 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.760 10.551 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.759 11.983 6.956 1.00 0.00 H new ATOM 93 N SER A 8 -7.682 14.040 6.324 1.00 0.00 N ATOM 94 CA SER A 8 -7.196 14.403 4.963 1.00 0.00 C ATOM 95 C SER A 8 -5.700 14.097 4.854 1.00 0.00 C ATOM 96 O SER A 8 -4.864 14.945 5.095 1.00 0.00 O ATOM 97 CB SER A 8 -7.429 15.895 4.719 1.00 0.00 C ATOM 98 OG SER A 8 -8.039 16.469 5.868 1.00 0.00 O ATOM 0 H SER A 8 -7.195 14.496 7.095 1.00 0.00 H new ATOM 0 HA SER A 8 -7.740 13.823 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.483 16.393 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.065 16.037 3.846 1.00 0.00 H new ATOM 0 HG SER A 8 -8.188 17.426 5.716 1.00 0.00 H new ATOM 104 N LYS A 9 -5.356 12.892 4.489 1.00 0.00 N ATOM 105 CA LYS A 9 -3.916 12.534 4.364 1.00 0.00 C ATOM 106 C LYS A 9 -3.556 12.388 2.884 1.00 0.00 C ATOM 107 O LYS A 9 -4.246 12.885 2.016 1.00 0.00 O ATOM 108 CB LYS A 9 -3.651 11.213 5.087 1.00 0.00 C ATOM 109 CG LYS A 9 -2.626 11.437 6.200 1.00 0.00 C ATOM 110 CD LYS A 9 -1.645 10.264 6.235 1.00 0.00 C ATOM 111 CE LYS A 9 -1.566 9.706 7.657 1.00 0.00 C ATOM 112 NZ LYS A 9 -1.781 8.232 7.624 1.00 0.00 N ATOM 0 H LYS A 9 -6.011 12.140 4.272 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.306 13.319 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.579 10.823 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.281 10.468 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.088 12.370 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.132 11.531 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.969 9.485 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.659 10.591 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.594 9.933 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.318 10.180 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.727 7.852 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.718 8.027 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.048 7.787 7.036 1.00 0.00 H new ATOM 126 N GLU A 10 -2.479 11.713 2.586 1.00 0.00 N ATOM 127 CA GLU A 10 -2.082 11.540 1.161 1.00 0.00 C ATOM 128 C GLU A 10 -1.282 10.245 1.004 1.00 0.00 C ATOM 129 O GLU A 10 -0.080 10.220 1.185 1.00 0.00 O ATOM 130 CB GLU A 10 -1.219 12.728 0.727 1.00 0.00 C ATOM 131 CG GLU A 10 -2.098 13.771 0.036 1.00 0.00 C ATOM 132 CD GLU A 10 -1.758 15.162 0.574 1.00 0.00 C ATOM 133 OE1 GLU A 10 -1.451 15.263 1.751 1.00 0.00 O ATOM 134 OE2 GLU A 10 -1.809 16.105 -0.200 1.00 0.00 O ATOM 0 H GLU A 10 -1.858 11.275 3.267 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.976 11.490 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.726 13.169 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.434 12.392 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.941 13.738 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.151 13.549 0.211 1.00 0.00 H new ATOM 141 N TRP A 11 -1.937 9.169 0.665 1.00 0.00 N ATOM 142 CA TRP A 11 -1.213 7.878 0.493 1.00 0.00 C ATOM 143 C TRP A 11 -1.588 7.254 -0.855 1.00 0.00 C ATOM 144 O TRP A 11 -1.090 6.209 -1.223 1.00 0.00 O ATOM 145 CB TRP A 11 -1.599 6.920 1.623 1.00 0.00 C ATOM 146 CG TRP A 11 -3.066 7.021 1.886 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.688 8.093 2.427 1.00 0.00 C ATOM 148 CD2 TRP A 11 -4.105 6.031 1.633 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.042 7.825 2.522 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.348 6.566 2.045 1.00 0.00 C ATOM 151 CE3 TRP A 11 -4.089 4.733 1.090 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.534 5.839 1.923 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.280 4.000 0.966 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.500 4.552 1.381 1.00 0.00 C ATOM 0 H TRP A 11 -2.943 9.128 0.500 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.139 8.060 0.522 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.337 5.897 1.352 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.040 7.163 2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.206 9.009 2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.730 8.477 2.898 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.155 4.298 0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.471 6.269 2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.256 3.004 0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.413 3.983 1.282 1.00 0.00 H new ATOM 165 N TYR A 12 -2.458 7.888 -1.594 1.00 0.00 N ATOM 166 CA TYR A 12 -2.859 7.329 -2.917 1.00 0.00 C ATOM 167 C TYR A 12 -2.367 8.258 -4.029 1.00 0.00 C ATOM 168 O TYR A 12 -2.853 9.360 -4.192 1.00 0.00 O ATOM 169 CB TYR A 12 -4.384 7.215 -2.981 1.00 0.00 C ATOM 170 CG TYR A 12 -4.811 6.929 -4.401 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.478 5.706 -4.999 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.538 7.884 -5.120 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.872 5.441 -6.316 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.933 7.618 -6.437 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.600 6.396 -7.035 1.00 0.00 C ATOM 176 OH TYR A 12 -5.989 6.136 -8.333 1.00 0.00 O ATOM 0 H TYR A 12 -2.908 8.767 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.417 6.341 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.727 6.419 -2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.843 8.140 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.918 4.968 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.795 8.826 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.614 4.499 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.494 8.355 -6.992 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.140 5.174 -8.443 1.00 0.00 H new ATOM 186 N HIS A 13 -1.408 7.821 -4.797 1.00 0.00 N ATOM 187 CA HIS A 13 -0.885 8.679 -5.898 1.00 0.00 C ATOM 188 C HIS A 13 -1.312 8.093 -7.246 1.00 0.00 C ATOM 189 O HIS A 13 -1.705 6.948 -7.339 1.00 0.00 O ATOM 190 CB HIS A 13 0.642 8.728 -5.823 1.00 0.00 C ATOM 191 CG HIS A 13 1.069 8.835 -4.386 1.00 0.00 C ATOM 192 ND1 HIS A 13 0.416 9.655 -3.480 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.081 8.230 -3.682 1.00 0.00 C ATOM 194 CE1 HIS A 13 1.036 9.524 -2.293 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.057 8.667 -2.360 1.00 0.00 N ATOM 0 H HIS A 13 -0.964 6.907 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.286 9.687 -5.797 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.068 7.832 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.018 9.580 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.788 7.523 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.743 10.048 -1.395 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.685 8.391 -1.605 1.00 0.00 H new ATOM 203 N ALA A 14 -1.238 8.872 -8.291 1.00 0.00 N ATOM 204 CA ALA A 14 -1.640 8.359 -9.631 1.00 0.00 C ATOM 205 C ALA A 14 -1.105 9.293 -10.718 1.00 0.00 C ATOM 206 O ALA A 14 -1.835 10.080 -11.288 1.00 0.00 O ATOM 207 CB ALA A 14 -3.167 8.298 -9.715 1.00 0.00 C ATOM 0 H ALA A 14 -0.917 9.840 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.227 7.361 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.463 7.923 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.548 7.631 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.580 9.296 -9.569 1.00 0.00 H new ATOM 213 N SER A 15 0.164 9.212 -11.009 1.00 0.00 N ATOM 214 CA SER A 15 0.747 10.095 -12.058 1.00 0.00 C ATOM 215 C SER A 15 2.116 9.555 -12.473 1.00 0.00 C ATOM 216 O SER A 15 2.987 10.294 -12.888 1.00 0.00 O ATOM 217 CB SER A 15 0.902 11.512 -11.505 1.00 0.00 C ATOM 218 OG SER A 15 0.888 11.464 -10.084 1.00 0.00 O ATOM 0 H SER A 15 0.823 8.572 -10.565 1.00 0.00 H new ATOM 0 HA SER A 15 0.086 10.116 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.835 11.952 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.093 12.147 -11.867 1.00 0.00 H new ATOM 0 HG SER A 15 0.989 12.370 -9.725 1.00 0.00 H new ATOM 224 N LEU A 16 2.315 8.270 -12.363 1.00 0.00 N ATOM 225 CA LEU A 16 3.628 7.682 -12.749 1.00 0.00 C ATOM 226 C LEU A 16 3.400 6.346 -13.459 1.00 0.00 C ATOM 227 O LEU A 16 2.280 5.961 -13.732 1.00 0.00 O ATOM 228 CB LEU A 16 4.479 7.456 -11.497 1.00 0.00 C ATOM 229 CG LEU A 16 3.628 6.805 -10.404 1.00 0.00 C ATOM 230 CD1 LEU A 16 3.892 5.299 -10.378 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.995 7.408 -9.047 1.00 0.00 C ATOM 0 H LEU A 16 1.624 7.602 -12.022 1.00 0.00 H new ATOM 0 HA LEU A 16 4.147 8.367 -13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.331 6.819 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.880 8.405 -11.142 1.00 0.00 H new ATOM 0 HG LEU A 16 2.573 6.985 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.285 4.837 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.632 4.867 -11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.947 5.118 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.390 6.945 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.050 7.228 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.807 8.482 -9.063 1.00 0.00 H new ATOM 243 N THR A 17 4.452 5.635 -13.760 1.00 0.00 N ATOM 244 CA THR A 17 4.292 4.326 -14.453 1.00 0.00 C ATOM 245 C THR A 17 4.238 3.201 -13.415 1.00 0.00 C ATOM 246 O THR A 17 4.344 3.433 -12.228 1.00 0.00 O ATOM 247 CB THR A 17 5.477 4.098 -15.393 1.00 0.00 C ATOM 248 OG1 THR A 17 6.438 5.126 -15.200 1.00 0.00 O ATOM 249 CG2 THR A 17 4.990 4.120 -16.844 1.00 0.00 C ATOM 0 H THR A 17 5.415 5.904 -13.556 1.00 0.00 H new ATOM 0 HA THR A 17 3.367 4.331 -15.030 1.00 0.00 H new ATOM 0 HB THR A 17 5.931 3.131 -15.178 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.118 5.074 -15.904 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.834 3.958 -17.514 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.252 3.331 -16.992 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.536 5.087 -17.061 1.00 0.00 H new ATOM 257 N ARG A 18 4.070 1.986 -13.855 1.00 0.00 N ATOM 258 CA ARG A 18 4.004 0.848 -12.895 1.00 0.00 C ATOM 259 C ARG A 18 5.420 0.376 -12.556 1.00 0.00 C ATOM 260 O ARG A 18 5.702 -0.021 -11.443 1.00 0.00 O ATOM 261 CB ARG A 18 3.222 -0.311 -13.524 1.00 0.00 C ATOM 262 CG ARG A 18 2.169 0.236 -14.491 1.00 0.00 C ATOM 263 CD ARG A 18 2.630 0.004 -15.932 1.00 0.00 C ATOM 264 NE ARG A 18 2.955 -1.439 -16.122 1.00 0.00 N ATOM 265 CZ ARG A 18 3.097 -1.922 -17.326 1.00 0.00 C ATOM 266 NH1 ARG A 18 2.147 -1.771 -18.207 1.00 0.00 N ATOM 267 NH2 ARG A 18 4.191 -2.556 -17.648 1.00 0.00 N ATOM 0 H ARG A 18 3.975 1.731 -14.838 1.00 0.00 H new ATOM 0 HA ARG A 18 3.502 1.177 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.904 -0.976 -14.053 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.741 -0.902 -12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.212 -0.257 -14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.015 1.300 -14.314 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.848 0.307 -16.629 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.505 0.617 -16.149 1.00 0.00 H new ATOM 0 HE ARG A 18 3.066 -2.048 -15.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.292 -1.275 -17.955 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.259 -2.149 -19.148 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.934 -2.674 -16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.303 -2.934 -18.589 1.00 0.00 H new ATOM 281 N ALA A 19 6.312 0.416 -13.508 1.00 0.00 N ATOM 282 CA ALA A 19 7.707 -0.033 -13.242 1.00 0.00 C ATOM 283 C ALA A 19 8.501 1.110 -12.609 1.00 0.00 C ATOM 284 O ALA A 19 9.294 0.907 -11.711 1.00 0.00 O ATOM 285 CB ALA A 19 8.369 -0.445 -14.559 1.00 0.00 C ATOM 0 H ALA A 19 6.134 0.740 -14.459 1.00 0.00 H new ATOM 0 HA ALA A 19 7.690 -0.883 -12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.390 -0.774 -14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.804 -1.261 -15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.385 0.406 -15.240 1.00 0.00 H new ATOM 291 N GLN A 20 8.294 2.312 -13.071 1.00 0.00 N ATOM 292 CA GLN A 20 9.034 3.471 -12.498 1.00 0.00 C ATOM 293 C GLN A 20 8.817 3.523 -10.985 1.00 0.00 C ATOM 294 O GLN A 20 9.562 4.155 -10.265 1.00 0.00 O ATOM 295 CB GLN A 20 8.524 4.767 -13.131 1.00 0.00 C ATOM 296 CG GLN A 20 9.663 5.786 -13.197 1.00 0.00 C ATOM 297 CD GLN A 20 10.405 5.637 -14.526 1.00 0.00 C ATOM 298 OE1 GLN A 20 9.818 5.775 -15.581 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.681 5.360 -14.520 1.00 0.00 N ATOM 0 H GLN A 20 7.643 2.542 -13.822 1.00 0.00 H new ATOM 0 HA GLN A 20 10.098 3.358 -12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.141 4.569 -14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.696 5.168 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.267 6.797 -13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.351 5.633 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.174 5.244 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.185 5.259 -15.401 1.00 0.00 H new ATOM 308 N ALA A 21 7.797 2.872 -10.498 1.00 0.00 N ATOM 309 CA ALA A 21 7.527 2.893 -9.032 1.00 0.00 C ATOM 310 C ALA A 21 8.655 2.178 -8.280 1.00 0.00 C ATOM 311 O ALA A 21 9.116 2.638 -7.254 1.00 0.00 O ATOM 312 CB ALA A 21 6.201 2.183 -8.749 1.00 0.00 C ATOM 0 H ALA A 21 7.138 2.326 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 21 7.471 3.928 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.002 2.197 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.395 2.695 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.260 1.150 -9.093 1.00 0.00 H new ATOM 318 N GLU A 22 9.100 1.054 -8.774 1.00 0.00 N ATOM 319 CA GLU A 22 10.191 0.315 -8.077 1.00 0.00 C ATOM 320 C GLU A 22 11.472 1.154 -8.088 1.00 0.00 C ATOM 321 O GLU A 22 12.264 1.105 -7.168 1.00 0.00 O ATOM 322 CB GLU A 22 10.449 -1.017 -8.790 1.00 0.00 C ATOM 323 CG GLU A 22 9.188 -1.883 -8.741 1.00 0.00 C ATOM 324 CD GLU A 22 8.311 -1.579 -9.956 1.00 0.00 C ATOM 325 OE1 GLU A 22 8.726 -1.902 -11.056 1.00 0.00 O ATOM 326 OE2 GLU A 22 7.239 -1.027 -9.766 1.00 0.00 O ATOM 0 H GLU A 22 8.756 0.616 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 22 9.892 0.124 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.737 -0.836 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.279 -1.540 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.459 -2.939 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.635 -1.687 -7.822 1.00 0.00 H new ATOM 333 N HIS A 23 11.685 1.923 -9.121 1.00 0.00 N ATOM 334 CA HIS A 23 12.916 2.759 -9.184 1.00 0.00 C ATOM 335 C HIS A 23 12.702 4.044 -8.381 1.00 0.00 C ATOM 336 O HIS A 23 13.642 4.704 -7.986 1.00 0.00 O ATOM 337 CB HIS A 23 13.224 3.112 -10.642 1.00 0.00 C ATOM 338 CG HIS A 23 14.701 2.979 -10.889 1.00 0.00 C ATOM 339 ND1 HIS A 23 15.393 3.847 -11.718 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.633 2.085 -10.422 1.00 0.00 C ATOM 341 CE1 HIS A 23 16.682 3.461 -11.724 1.00 0.00 C ATOM 342 NE2 HIS A 23 16.883 2.392 -10.950 1.00 0.00 N ATOM 0 H HIS A 23 11.060 2.008 -9.923 1.00 0.00 H new ATOM 0 HA HIS A 23 13.753 2.202 -8.763 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.672 2.452 -11.311 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.899 4.130 -10.857 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.427 1.267 -9.747 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.460 3.956 -12.287 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.763 1.905 -10.782 1.00 0.00 H new ATOM 350 N MET A 24 11.473 4.400 -8.134 1.00 0.00 N ATOM 351 CA MET A 24 11.198 5.639 -7.353 1.00 0.00 C ATOM 352 C MET A 24 11.377 5.339 -5.865 1.00 0.00 C ATOM 353 O MET A 24 11.722 6.203 -5.083 1.00 0.00 O ATOM 354 CB MET A 24 9.763 6.098 -7.614 1.00 0.00 C ATOM 355 CG MET A 24 9.657 6.667 -9.029 1.00 0.00 C ATOM 356 SD MET A 24 9.230 8.424 -8.941 1.00 0.00 S ATOM 357 CE MET A 24 8.980 8.690 -10.714 1.00 0.00 C ATOM 0 H MET A 24 10.646 3.887 -8.439 1.00 0.00 H new ATOM 0 HA MET A 24 11.888 6.427 -7.655 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.075 5.261 -7.495 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.474 6.854 -6.884 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.602 6.537 -9.557 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.899 6.125 -9.595 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.704 9.729 -10.891 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.902 8.464 -11.249 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.184 8.037 -11.071 1.00 0.00 H new ATOM 367 N LEU A 25 11.148 4.117 -5.474 1.00 0.00 N ATOM 368 CA LEU A 25 11.306 3.749 -4.041 1.00 0.00 C ATOM 369 C LEU A 25 12.780 3.460 -3.755 1.00 0.00 C ATOM 370 O LEU A 25 13.314 3.846 -2.734 1.00 0.00 O ATOM 371 CB LEU A 25 10.474 2.499 -3.748 1.00 0.00 C ATOM 372 CG LEU A 25 9.001 2.887 -3.603 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.129 1.855 -4.320 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.628 2.926 -2.119 1.00 0.00 C ATOM 0 H LEU A 25 10.857 3.356 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 25 10.966 4.570 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.592 1.774 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.827 2.021 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 25 8.839 3.870 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.080 2.131 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.394 1.826 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.291 0.872 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.579 3.202 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.790 1.943 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.249 3.661 -1.607 1.00 0.00 H new ATOM 386 N MET A 26 13.443 2.783 -4.654 1.00 0.00 N ATOM 387 CA MET A 26 14.883 2.467 -4.440 1.00 0.00 C ATOM 388 C MET A 26 15.712 3.749 -4.541 1.00 0.00 C ATOM 389 O MET A 26 16.798 3.839 -4.005 1.00 0.00 O ATOM 390 CB MET A 26 15.349 1.477 -5.510 1.00 0.00 C ATOM 391 CG MET A 26 16.444 0.578 -4.934 1.00 0.00 C ATOM 392 SD MET A 26 17.880 0.595 -6.036 1.00 0.00 S ATOM 393 CE MET A 26 18.965 -0.428 -5.011 1.00 0.00 C ATOM 0 H MET A 26 13.048 2.435 -5.528 1.00 0.00 H new ATOM 0 HA MET A 26 15.014 2.028 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.509 0.872 -5.850 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.726 2.016 -6.379 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.730 0.925 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 26 16.071 -0.440 -4.820 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.927 -0.550 -5.509 1.00 0.00 H new ATOM 0 HE2 MET A 26 19.115 0.055 -4.046 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.507 -1.406 -4.860 1.00 0.00 H new ATOM 403 N ARG A 27 15.209 4.741 -5.224 1.00 0.00 N ATOM 404 CA ARG A 27 15.972 6.014 -5.357 1.00 0.00 C ATOM 405 C ARG A 27 15.900 6.793 -4.042 1.00 0.00 C ATOM 406 O ARG A 27 16.656 7.716 -3.815 1.00 0.00 O ATOM 407 CB ARG A 27 15.369 6.859 -6.481 1.00 0.00 C ATOM 408 CG ARG A 27 16.076 6.535 -7.799 1.00 0.00 C ATOM 409 CD ARG A 27 16.081 7.775 -8.695 1.00 0.00 C ATOM 410 NE ARG A 27 16.870 7.493 -9.927 1.00 0.00 N ATOM 411 CZ ARG A 27 16.773 8.282 -10.963 1.00 0.00 C ATOM 412 NH1 ARG A 27 15.938 9.286 -10.949 1.00 0.00 N ATOM 413 NH2 ARG A 27 17.512 8.065 -12.017 1.00 0.00 N ATOM 0 H ARG A 27 14.304 4.725 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 27 17.012 5.788 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.302 6.657 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.475 7.919 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.098 6.210 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.569 5.712 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.060 8.050 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.511 8.622 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 27 17.487 6.682 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.359 9.456 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.865 9.900 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.164 7.280 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.438 8.680 -12.827 1.00 0.00 H new ATOM 427 N VAL A 28 14.994 6.431 -3.177 1.00 0.00 N ATOM 428 CA VAL A 28 14.876 7.155 -1.879 1.00 0.00 C ATOM 429 C VAL A 28 15.623 6.375 -0.794 1.00 0.00 C ATOM 430 O VAL A 28 15.524 5.167 -0.722 1.00 0.00 O ATOM 431 CB VAL A 28 13.399 7.282 -1.486 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.181 8.607 -0.756 1.00 0.00 C ATOM 433 CG2 VAL A 28 12.523 7.248 -2.742 1.00 0.00 C ATOM 0 H VAL A 28 14.331 5.667 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 28 15.308 8.150 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 28 13.128 6.452 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.132 8.700 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.800 8.634 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.456 9.433 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.475 7.339 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.794 8.076 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.676 6.305 -3.267 1.00 0.00 H new ATOM 443 N PRO A 29 16.349 7.095 0.021 1.00 0.00 N ATOM 444 CA PRO A 29 17.149 6.549 1.147 1.00 0.00 C ATOM 445 C PRO A 29 16.242 6.298 2.354 1.00 0.00 C ATOM 446 O PRO A 29 15.644 7.210 2.890 1.00 0.00 O ATOM 447 CB PRO A 29 18.180 7.627 1.476 1.00 0.00 C ATOM 448 CG PRO A 29 17.592 8.947 0.964 1.00 0.00 C ATOM 449 CD PRO A 29 16.496 8.577 -0.045 1.00 0.00 C ATOM 0 HA PRO A 29 17.624 5.602 0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.367 7.674 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.135 7.413 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.180 9.532 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.362 9.557 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.557 9.072 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.770 8.896 -1.051 1.00 0.00 H new ATOM 457 N ARG A 30 16.127 5.071 2.784 1.00 0.00 N ATOM 458 CA ARG A 30 15.250 4.780 3.953 1.00 0.00 C ATOM 459 C ARG A 30 15.362 3.302 4.339 1.00 0.00 C ATOM 460 O ARG A 30 16.324 2.633 4.016 1.00 0.00 O ATOM 461 CB ARG A 30 13.796 5.109 3.591 1.00 0.00 C ATOM 462 CG ARG A 30 13.196 3.988 2.732 1.00 0.00 C ATOM 463 CD ARG A 30 14.164 3.618 1.605 1.00 0.00 C ATOM 464 NE ARG A 30 13.584 2.511 0.793 1.00 0.00 N ATOM 465 CZ ARG A 30 14.075 2.236 -0.384 1.00 0.00 C ATOM 466 NH1 ARG A 30 15.340 2.444 -0.628 1.00 0.00 N ATOM 467 NH2 ARG A 30 13.302 1.752 -1.317 1.00 0.00 N ATOM 0 H ARG A 30 16.599 4.262 2.379 1.00 0.00 H new ATOM 0 HA ARG A 30 15.565 5.391 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 30 13.207 5.235 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.753 6.054 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.993 3.114 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.243 4.310 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.352 4.486 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.124 3.313 2.022 1.00 0.00 H new ATOM 0 HE ARG A 30 12.802 1.967 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.945 2.822 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.724 2.229 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.313 1.589 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.686 1.537 -2.237 1.00 0.00 H new ATOM 481 N ASP A 31 14.377 2.794 5.026 1.00 0.00 N ATOM 482 CA ASP A 31 14.404 1.364 5.438 1.00 0.00 C ATOM 483 C ASP A 31 13.064 1.010 6.086 1.00 0.00 C ATOM 484 O ASP A 31 12.970 0.837 7.284 1.00 0.00 O ATOM 485 CB ASP A 31 15.536 1.140 6.442 1.00 0.00 C ATOM 486 CG ASP A 31 16.770 0.606 5.712 1.00 0.00 C ATOM 487 OD1 ASP A 31 16.607 -0.273 4.882 1.00 0.00 O ATOM 488 OD2 ASP A 31 17.856 1.084 5.995 1.00 0.00 O ATOM 0 H ASP A 31 13.549 3.312 5.321 1.00 0.00 H new ATOM 0 HA ASP A 31 14.571 0.731 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.777 2.075 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.221 0.433 7.210 1.00 0.00 H new ATOM 493 N GLY A 32 12.025 0.913 5.302 1.00 0.00 N ATOM 494 CA GLY A 32 10.691 0.581 5.871 1.00 0.00 C ATOM 495 C GLY A 32 9.711 1.708 5.545 1.00 0.00 C ATOM 496 O GLY A 32 9.755 2.773 6.130 1.00 0.00 O ATOM 0 H GLY A 32 12.044 1.050 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.331 -0.361 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.765 0.448 6.950 1.00 0.00 H new ATOM 500 N ALA A 33 8.827 1.487 4.609 1.00 0.00 N ATOM 501 CA ALA A 33 7.845 2.547 4.242 1.00 0.00 C ATOM 502 C ALA A 33 6.715 1.936 3.410 1.00 0.00 C ATOM 503 O ALA A 33 6.935 1.069 2.587 1.00 0.00 O ATOM 504 CB ALA A 33 8.551 3.633 3.425 1.00 0.00 C ATOM 0 H ALA A 33 8.743 0.617 4.083 1.00 0.00 H new ATOM 0 HA ALA A 33 7.429 2.985 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.835 4.409 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.354 4.070 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.968 3.193 2.519 1.00 0.00 H new ATOM 510 N PHE A 34 5.503 2.379 3.620 1.00 0.00 N ATOM 511 CA PHE A 34 4.360 1.822 2.841 1.00 0.00 C ATOM 512 C PHE A 34 3.693 2.940 2.033 1.00 0.00 C ATOM 513 O PHE A 34 3.501 4.038 2.516 1.00 0.00 O ATOM 514 CB PHE A 34 3.340 1.206 3.801 1.00 0.00 C ATOM 515 CG PHE A 34 2.636 2.303 4.563 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.466 2.874 4.045 1.00 0.00 C ATOM 517 CD2 PHE A 34 3.150 2.749 5.786 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.813 3.891 4.752 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.497 3.765 6.493 1.00 0.00 C ATOM 520 CZ PHE A 34 1.327 4.337 5.976 1.00 0.00 C ATOM 0 H PHE A 34 5.256 3.101 4.296 1.00 0.00 H new ATOM 0 HA PHE A 34 4.727 1.055 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.615 0.612 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.840 0.530 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.068 2.530 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.052 2.308 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.088 4.332 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.895 4.108 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.822 5.121 6.521 1.00 0.00 H new ATOM 530 N LEU A 35 3.337 2.666 0.805 1.00 0.00 N ATOM 531 CA LEU A 35 2.685 3.710 -0.040 1.00 0.00 C ATOM 532 C LEU A 35 1.623 3.059 -0.932 1.00 0.00 C ATOM 533 O LEU A 35 1.654 1.870 -1.185 1.00 0.00 O ATOM 534 CB LEU A 35 3.737 4.386 -0.922 1.00 0.00 C ATOM 535 CG LEU A 35 4.985 4.700 -0.094 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.915 3.484 -0.090 1.00 0.00 C ATOM 537 CD2 LEU A 35 5.715 5.896 -0.710 1.00 0.00 C ATOM 0 H LEU A 35 3.470 1.763 0.350 1.00 0.00 H new ATOM 0 HA LEU A 35 2.216 4.453 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.998 3.735 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.332 5.304 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 35 4.693 4.937 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.804 3.708 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.396 2.630 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.208 3.247 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.605 6.122 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.007 5.657 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.054 6.763 -0.715 1.00 0.00 H new ATOM 549 N VAL A 36 0.685 3.830 -1.416 1.00 0.00 N ATOM 550 CA VAL A 36 -0.375 3.255 -2.295 1.00 0.00 C ATOM 551 C VAL A 36 -0.525 4.121 -3.548 1.00 0.00 C ATOM 552 O VAL A 36 -0.076 5.248 -3.590 1.00 0.00 O ATOM 553 CB VAL A 36 -1.703 3.220 -1.536 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.597 2.124 -2.120 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.436 2.925 -0.060 1.00 0.00 C ATOM 0 H VAL A 36 0.607 4.832 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.096 2.242 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.202 4.184 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.543 2.099 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.787 2.332 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.099 1.159 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.381 2.900 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.938 1.960 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.799 3.705 0.357 1.00 0.00 H new ATOM 565 N ARG A 37 -1.152 3.605 -4.573 1.00 0.00 N ATOM 566 CA ARG A 37 -1.321 4.405 -5.817 1.00 0.00 C ATOM 567 C ARG A 37 -2.374 3.749 -6.711 1.00 0.00 C ATOM 568 O ARG A 37 -3.117 2.885 -6.287 1.00 0.00 O ATOM 569 CB ARG A 37 0.012 4.473 -6.565 1.00 0.00 C ATOM 570 CG ARG A 37 0.495 3.054 -6.877 1.00 0.00 C ATOM 571 CD ARG A 37 1.829 2.803 -6.173 1.00 0.00 C ATOM 572 NE ARG A 37 2.714 3.990 -6.345 1.00 0.00 N ATOM 573 CZ ARG A 37 3.771 4.130 -5.592 1.00 0.00 C ATOM 574 NH1 ARG A 37 3.664 4.685 -4.416 1.00 0.00 N ATOM 575 NH2 ARG A 37 4.933 3.717 -6.017 1.00 0.00 N ATOM 0 H ARG A 37 -1.552 2.667 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.645 5.413 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.105 5.040 -7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.754 4.997 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.245 2.326 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.610 2.926 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.662 2.611 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.309 1.916 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 37 2.494 4.693 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.755 5.009 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.489 4.795 -3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.015 3.285 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.759 3.826 -5.429 1.00 0.00 H new ATOM 589 N LYS A 38 -2.440 4.153 -7.950 1.00 0.00 N ATOM 590 CA LYS A 38 -3.441 3.554 -8.879 1.00 0.00 C ATOM 591 C LYS A 38 -2.877 2.272 -9.499 1.00 0.00 C ATOM 592 O LYS A 38 -1.869 1.752 -9.063 1.00 0.00 O ATOM 593 CB LYS A 38 -3.808 4.549 -9.984 1.00 0.00 C ATOM 594 CG LYS A 38 -2.553 5.164 -10.605 1.00 0.00 C ATOM 595 CD LYS A 38 -1.743 4.092 -11.338 1.00 0.00 C ATOM 596 CE LYS A 38 -0.593 3.614 -10.448 1.00 0.00 C ATOM 597 NZ LYS A 38 0.636 4.398 -10.761 1.00 0.00 N ATOM 0 H LYS A 38 -1.844 4.872 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.341 3.313 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.390 4.044 -10.755 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.439 5.337 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.833 5.956 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.942 5.623 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.386 3.252 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.350 4.495 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.857 3.736 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.411 2.552 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.464 3.929 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.757 4.456 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.546 5.357 -10.368 1.00 0.00 H new ATOM 611 N ARG A 39 -3.521 1.756 -10.510 1.00 0.00 N ATOM 612 CA ARG A 39 -3.023 0.510 -11.157 1.00 0.00 C ATOM 613 C ARG A 39 -2.986 0.707 -12.673 1.00 0.00 C ATOM 614 O ARG A 39 -2.864 1.812 -13.163 1.00 0.00 O ATOM 615 CB ARG A 39 -3.959 -0.652 -10.818 1.00 0.00 C ATOM 616 CG ARG A 39 -3.138 -1.923 -10.596 1.00 0.00 C ATOM 617 CD ARG A 39 -2.081 -1.662 -9.520 1.00 0.00 C ATOM 618 NE ARG A 39 -0.720 -1.622 -10.136 1.00 0.00 N ATOM 619 CZ ARG A 39 -0.406 -2.438 -11.104 1.00 0.00 C ATOM 620 NH1 ARG A 39 -0.280 -3.715 -10.866 1.00 0.00 N ATOM 621 NH2 ARG A 39 -0.218 -1.978 -12.311 1.00 0.00 N ATOM 0 H ARG A 39 -4.372 2.145 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.021 0.286 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.536 -0.419 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.673 -0.805 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.790 -2.742 -10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.659 -2.227 -11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.289 -0.718 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.122 -2.444 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.031 -0.951 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.427 -4.075 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.034 -4.353 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.317 -0.980 -12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.028 -2.616 -13.068 1.00 0.00 H new ATOM 635 N ASN A 40 -3.098 -0.355 -13.420 1.00 0.00 N ATOM 636 CA ASN A 40 -3.077 -0.230 -14.906 1.00 0.00 C ATOM 637 C ASN A 40 -4.504 -0.009 -15.409 1.00 0.00 C ATOM 638 O ASN A 40 -4.887 -0.490 -16.458 1.00 0.00 O ATOM 639 CB ASN A 40 -2.510 -1.512 -15.518 1.00 0.00 C ATOM 640 CG ASN A 40 -1.897 -1.198 -16.884 1.00 0.00 C ATOM 641 OD1 ASN A 40 -2.439 -1.568 -17.907 1.00 0.00 O ATOM 642 ND2 ASN A 40 -0.779 -0.526 -16.945 1.00 0.00 N ATOM 0 H ASN A 40 -3.203 -1.306 -13.066 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.451 0.614 -15.196 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.755 -1.939 -14.858 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.299 -2.257 -15.624 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.361 -0.312 -17.851 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.323 -0.215 -16.087 1.00 0.00 H new ATOM 649 N GLU A 41 -5.296 0.712 -14.664 1.00 0.00 N ATOM 650 CA GLU A 41 -6.701 0.967 -15.084 1.00 0.00 C ATOM 651 C GLU A 41 -7.426 1.716 -13.966 1.00 0.00 C ATOM 652 O GLU A 41 -6.954 1.771 -12.848 1.00 0.00 O ATOM 653 CB GLU A 41 -7.404 -0.366 -15.351 1.00 0.00 C ATOM 654 CG GLU A 41 -6.909 -1.413 -14.352 1.00 0.00 C ATOM 655 CD GLU A 41 -7.826 -2.637 -14.403 1.00 0.00 C ATOM 656 OE1 GLU A 41 -7.682 -3.422 -15.325 1.00 0.00 O ATOM 657 OE2 GLU A 41 -8.654 -2.768 -13.517 1.00 0.00 O ATOM 0 H GLU A 41 -5.027 1.138 -13.777 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.712 1.566 -15.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.483 -0.244 -15.261 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.204 -0.697 -16.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.885 -1.702 -14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.898 -0.995 -13.345 1.00 0.00 H new ATOM 664 N PRO A 42 -8.556 2.272 -14.306 1.00 0.00 N ATOM 665 CA PRO A 42 -9.427 3.049 -13.388 1.00 0.00 C ATOM 666 C PRO A 42 -10.250 2.101 -12.512 1.00 0.00 C ATOM 667 O PRO A 42 -11.148 2.518 -11.806 1.00 0.00 O ATOM 668 CB PRO A 42 -10.348 3.863 -14.292 1.00 0.00 C ATOM 669 CG PRO A 42 -10.392 3.121 -15.630 1.00 0.00 C ATOM 670 CD PRO A 42 -9.153 2.217 -15.669 1.00 0.00 C ATOM 0 HA PRO A 42 -8.847 3.686 -12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.345 3.946 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.971 4.877 -14.421 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.305 2.532 -15.717 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.386 3.824 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.425 1.195 -15.934 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.442 2.563 -16.420 1.00 0.00 H new ATOM 678 N ASN A 43 -9.961 0.829 -12.555 1.00 0.00 N ATOM 679 CA ASN A 43 -10.737 -0.135 -11.728 1.00 0.00 C ATOM 680 C ASN A 43 -9.782 -1.005 -10.904 1.00 0.00 C ATOM 681 O ASN A 43 -9.806 -2.216 -10.996 1.00 0.00 O ATOM 682 CB ASN A 43 -11.573 -1.030 -12.645 1.00 0.00 C ATOM 683 CG ASN A 43 -12.601 -0.179 -13.392 1.00 0.00 C ATOM 684 OD1 ASN A 43 -12.847 0.955 -13.030 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.217 -0.681 -14.427 1.00 0.00 N ATOM 0 H ASN A 43 -9.223 0.417 -13.126 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.391 0.417 -11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.927 -1.545 -13.356 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.078 -1.798 -12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.905 -0.122 -14.932 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.011 -1.633 -14.731 1.00 0.00 H new ATOM 692 N SER A 44 -8.950 -0.398 -10.094 1.00 0.00 N ATOM 693 CA SER A 44 -7.997 -1.192 -9.259 1.00 0.00 C ATOM 694 C SER A 44 -6.920 -0.267 -8.682 1.00 0.00 C ATOM 695 O SER A 44 -6.849 0.901 -9.007 1.00 0.00 O ATOM 696 CB SER A 44 -7.324 -2.264 -10.117 1.00 0.00 C ATOM 697 OG SER A 44 -7.327 -1.850 -11.477 1.00 0.00 O ATOM 0 H SER A 44 -8.890 0.613 -9.975 1.00 0.00 H new ATOM 0 HA SER A 44 -8.549 -1.666 -8.447 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.301 -2.428 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.851 -3.213 -10.013 1.00 0.00 H new ATOM 0 HG SER A 44 -8.074 -2.276 -11.947 1.00 0.00 H new ATOM 703 N TYR A 45 -6.078 -0.788 -7.828 1.00 0.00 N ATOM 704 CA TYR A 45 -4.998 0.048 -7.226 1.00 0.00 C ATOM 705 C TYR A 45 -3.855 -0.861 -6.769 1.00 0.00 C ATOM 706 O TYR A 45 -3.977 -2.070 -6.774 1.00 0.00 O ATOM 707 CB TYR A 45 -5.553 0.811 -6.022 1.00 0.00 C ATOM 708 CG TYR A 45 -6.887 1.421 -6.380 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.066 0.691 -6.185 1.00 0.00 C ATOM 710 CD2 TYR A 45 -6.945 2.716 -6.906 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.303 1.257 -6.515 1.00 0.00 C ATOM 712 CE2 TYR A 45 -8.182 3.282 -7.238 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.361 2.552 -7.042 1.00 0.00 C ATOM 714 OH TYR A 45 -10.579 3.110 -7.368 1.00 0.00 O ATOM 0 H TYR A 45 -6.092 -1.760 -7.521 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.630 0.759 -7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.666 0.137 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.854 1.591 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.021 -0.309 -5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.036 3.279 -7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.212 0.694 -6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.227 4.281 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.441 4.014 -7.720 1.00 0.00 H new ATOM 724 N ALA A 46 -2.742 -0.299 -6.376 1.00 0.00 N ATOM 725 CA ALA A 46 -1.608 -1.156 -5.924 1.00 0.00 C ATOM 726 C ALA A 46 -0.876 -0.481 -4.762 1.00 0.00 C ATOM 727 O ALA A 46 -0.626 0.707 -4.780 1.00 0.00 O ATOM 728 CB ALA A 46 -0.637 -1.368 -7.086 1.00 0.00 C ATOM 0 H ALA A 46 -2.570 0.706 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.996 -2.119 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.192 -1.994 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.157 -1.857 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.254 -0.404 -7.420 1.00 0.00 H new ATOM 734 N ILE A 47 -0.530 -1.232 -3.752 1.00 0.00 N ATOM 735 CA ILE A 47 0.183 -0.636 -2.587 1.00 0.00 C ATOM 736 C ILE A 47 1.695 -0.794 -2.768 1.00 0.00 C ATOM 737 O ILE A 47 2.251 -1.847 -2.534 1.00 0.00 O ATOM 738 CB ILE A 47 -0.253 -1.349 -1.306 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.781 -1.330 -1.210 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.341 -0.633 -0.093 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.260 -2.558 -0.435 1.00 0.00 C ATOM 0 H ILE A 47 -0.711 -2.234 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.062 0.424 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 47 0.100 -2.380 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.113 -0.420 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.218 -1.324 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.029 -1.142 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.429 -0.644 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.011 0.398 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.348 -2.544 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.941 -3.462 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.834 -2.544 0.568 1.00 0.00 H new ATOM 753 N SER A 48 2.366 0.251 -3.177 1.00 0.00 N ATOM 754 CA SER A 48 3.842 0.162 -3.363 1.00 0.00 C ATOM 755 C SER A 48 4.532 0.454 -2.030 1.00 0.00 C ATOM 756 O SER A 48 4.458 1.548 -1.511 1.00 0.00 O ATOM 757 CB SER A 48 4.290 1.189 -4.404 1.00 0.00 C ATOM 758 OG SER A 48 4.493 2.444 -3.770 1.00 0.00 O ATOM 0 H SER A 48 1.955 1.160 -3.390 1.00 0.00 H new ATOM 0 HA SER A 48 4.109 -0.838 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.211 0.858 -4.885 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.537 1.282 -5.187 1.00 0.00 H new ATOM 0 HG SER A 48 5.094 2.330 -3.005 1.00 0.00 H new ATOM 764 N PHE A 49 5.196 -0.517 -1.464 1.00 0.00 N ATOM 765 CA PHE A 49 5.877 -0.288 -0.158 1.00 0.00 C ATOM 766 C PHE A 49 7.272 -0.916 -0.180 1.00 0.00 C ATOM 767 O PHE A 49 7.445 -2.056 -0.563 1.00 0.00 O ATOM 768 CB PHE A 49 5.050 -0.922 0.963 1.00 0.00 C ATOM 769 CG PHE A 49 5.079 -2.425 0.823 1.00 0.00 C ATOM 770 CD1 PHE A 49 4.472 -3.038 -0.280 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.714 -3.208 1.795 1.00 0.00 C ATOM 772 CE1 PHE A 49 4.500 -4.431 -0.410 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.741 -4.601 1.665 1.00 0.00 C ATOM 774 CZ PHE A 49 5.134 -5.212 0.561 1.00 0.00 C ATOM 0 H PHE A 49 5.296 -1.457 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 49 5.971 0.784 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.449 -0.629 1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.022 -0.562 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.982 -2.436 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.183 -2.736 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.032 -4.903 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.230 -5.204 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.156 -6.287 0.459 1.00 0.00 H new ATOM 784 N ARG A 50 8.266 -0.183 0.236 1.00 0.00 N ATOM 785 CA ARG A 50 9.649 -0.739 0.244 1.00 0.00 C ATOM 786 C ARG A 50 9.921 -1.406 1.594 1.00 0.00 C ATOM 787 O ARG A 50 9.704 -0.827 2.640 1.00 0.00 O ATOM 788 CB ARG A 50 10.658 0.389 0.014 1.00 0.00 C ATOM 789 CG ARG A 50 10.498 1.461 1.095 1.00 0.00 C ATOM 790 CD ARG A 50 10.683 2.845 0.470 1.00 0.00 C ATOM 791 NE ARG A 50 9.480 3.682 0.739 1.00 0.00 N ATOM 792 CZ ARG A 50 9.529 4.976 0.560 1.00 0.00 C ATOM 793 NH1 ARG A 50 10.636 5.542 0.159 1.00 0.00 N ATOM 794 NH2 ARG A 50 8.470 5.707 0.781 1.00 0.00 N ATOM 0 H ARG A 50 8.182 0.777 0.571 1.00 0.00 H new ATOM 0 HA ARG A 50 9.749 -1.477 -0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.672 -0.010 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.506 0.829 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.512 1.386 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.231 1.307 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.571 3.325 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.840 2.751 -0.605 1.00 0.00 H new ATOM 0 HE ARG A 50 8.617 3.245 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.465 4.974 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.671 6.552 0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.604 5.268 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.509 6.717 0.641 1.00 0.00 H new ATOM 808 N ALA A 51 10.393 -2.625 1.579 1.00 0.00 N ATOM 809 CA ALA A 51 10.675 -3.331 2.856 1.00 0.00 C ATOM 810 C ALA A 51 12.135 -3.107 3.251 1.00 0.00 C ATOM 811 O ALA A 51 12.958 -2.739 2.436 1.00 0.00 O ATOM 812 CB ALA A 51 10.419 -4.828 2.678 1.00 0.00 C ATOM 0 H ALA A 51 10.595 -3.160 0.734 1.00 0.00 H new ATOM 0 HA ALA A 51 10.023 -2.941 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.626 -5.346 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.378 -4.988 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.070 -5.218 1.896 1.00 0.00 H new ATOM 818 N GLU A 52 12.463 -3.324 4.495 1.00 0.00 N ATOM 819 CA GLU A 52 13.870 -3.120 4.939 1.00 0.00 C ATOM 820 C GLU A 52 14.751 -4.239 4.383 1.00 0.00 C ATOM 821 O GLU A 52 14.967 -5.248 5.024 1.00 0.00 O ATOM 822 CB GLU A 52 13.929 -3.135 6.467 1.00 0.00 C ATOM 823 CG GLU A 52 13.596 -1.742 6.997 1.00 0.00 C ATOM 824 CD GLU A 52 13.870 -1.687 8.502 1.00 0.00 C ATOM 825 OE1 GLU A 52 13.705 -2.706 9.152 1.00 0.00 O ATOM 826 OE2 GLU A 52 14.240 -0.626 8.978 1.00 0.00 O ATOM 0 H GLU A 52 11.818 -3.633 5.222 1.00 0.00 H new ATOM 0 HA GLU A 52 14.230 -2.160 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.224 -3.866 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.922 -3.437 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.195 -0.992 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.550 -1.507 6.798 1.00 0.00 H new ATOM 833 N GLY A 53 15.263 -4.068 3.196 1.00 0.00 N ATOM 834 CA GLY A 53 16.133 -5.121 2.605 1.00 0.00 C ATOM 835 C GLY A 53 15.593 -5.532 1.234 1.00 0.00 C ATOM 836 O GLY A 53 16.284 -6.148 0.447 1.00 0.00 O ATOM 0 H GLY A 53 15.117 -3.246 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.153 -4.750 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.171 -5.987 3.266 1.00 0.00 H new ATOM 840 N LYS A 54 14.364 -5.203 0.935 1.00 0.00 N ATOM 841 CA LYS A 54 13.802 -5.589 -0.391 1.00 0.00 C ATOM 842 C LYS A 54 12.518 -4.806 -0.663 1.00 0.00 C ATOM 843 O LYS A 54 11.551 -4.910 0.064 1.00 0.00 O ATOM 844 CB LYS A 54 13.493 -7.087 -0.393 1.00 0.00 C ATOM 845 CG LYS A 54 12.834 -7.473 0.932 1.00 0.00 C ATOM 846 CD LYS A 54 11.562 -8.276 0.655 1.00 0.00 C ATOM 847 CE LYS A 54 11.776 -9.732 1.072 1.00 0.00 C ATOM 848 NZ LYS A 54 12.049 -10.557 -0.138 1.00 0.00 N ATOM 0 H LYS A 54 13.730 -4.688 1.546 1.00 0.00 H new ATOM 0 HA LYS A 54 14.531 -5.361 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.833 -7.332 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.410 -7.658 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.524 -8.062 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.594 -6.578 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.723 -7.849 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.310 -8.223 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.610 -9.803 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.893 -10.107 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.195 -11.548 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.240 -10.497 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.903 -10.203 -0.614 1.00 0.00 H new ATOM 862 N ILE A 55 12.498 -4.030 -1.713 1.00 0.00 N ATOM 863 CA ILE A 55 11.273 -3.248 -2.039 1.00 0.00 C ATOM 864 C ILE A 55 10.268 -4.153 -2.755 1.00 0.00 C ATOM 865 O ILE A 55 10.632 -5.150 -3.349 1.00 0.00 O ATOM 866 CB ILE A 55 11.646 -2.077 -2.951 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.670 -1.186 -2.245 1.00 0.00 C ATOM 868 CG2 ILE A 55 10.395 -1.258 -3.272 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.639 -0.606 -3.275 1.00 0.00 C ATOM 0 H ILE A 55 13.278 -3.904 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 55 10.828 -2.866 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 55 12.075 -2.462 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.162 -0.381 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.217 -1.763 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.663 -0.425 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.665 -1.891 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.965 -0.874 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.368 0.029 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.156 -1.418 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.085 -0.014 -4.003 1.00 0.00 H new ATOM 881 N LYS A 56 9.007 -3.818 -2.704 1.00 0.00 N ATOM 882 CA LYS A 56 7.985 -4.665 -3.384 1.00 0.00 C ATOM 883 C LYS A 56 6.620 -3.978 -3.307 1.00 0.00 C ATOM 884 O LYS A 56 6.238 -3.445 -2.286 1.00 0.00 O ATOM 885 CB LYS A 56 7.911 -6.029 -2.693 1.00 0.00 C ATOM 886 CG LYS A 56 7.361 -5.855 -1.277 1.00 0.00 C ATOM 887 CD LYS A 56 8.185 -6.696 -0.301 1.00 0.00 C ATOM 888 CE LYS A 56 7.760 -8.162 -0.406 1.00 0.00 C ATOM 889 NZ LYS A 56 6.624 -8.416 0.523 1.00 0.00 N ATOM 0 H LYS A 56 8.641 -2.997 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 56 8.263 -4.802 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.271 -6.703 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.901 -6.484 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.397 -4.805 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.315 -6.159 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.247 -6.597 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.040 -6.336 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.466 -8.394 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.598 -8.814 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.445 -9.439 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.861 -8.052 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.772 -7.934 0.170 1.00 0.00 H new ATOM 903 N HIS A 57 5.884 -3.982 -4.384 1.00 0.00 N ATOM 904 CA HIS A 57 4.548 -3.325 -4.371 1.00 0.00 C ATOM 905 C HIS A 57 3.454 -4.383 -4.221 1.00 0.00 C ATOM 906 O HIS A 57 3.731 -5.554 -4.074 1.00 0.00 O ATOM 907 CB HIS A 57 4.347 -2.555 -5.678 1.00 0.00 C ATOM 908 CG HIS A 57 5.522 -1.644 -5.903 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.738 -1.000 -7.111 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.556 -1.261 -5.083 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.862 -0.270 -6.985 1.00 0.00 C ATOM 912 NE2 HIS A 57 7.401 -0.395 -5.770 1.00 0.00 N ATOM 0 H HIS A 57 6.150 -4.411 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 57 4.492 -2.633 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.246 -3.250 -6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.425 -1.975 -5.634 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.152 -1.067 -7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.692 -1.583 -4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.277 0.343 -7.772 1.00 0.00 H new ATOM 920 N CYS A 58 2.214 -3.978 -4.255 1.00 0.00 N ATOM 921 CA CYS A 58 1.097 -4.956 -4.112 1.00 0.00 C ATOM 922 C CYS A 58 -0.053 -4.533 -5.029 1.00 0.00 C ATOM 923 O CYS A 58 -0.117 -3.406 -5.472 1.00 0.00 O ATOM 924 CB CYS A 58 0.627 -4.973 -2.654 1.00 0.00 C ATOM 925 SG CYS A 58 -0.951 -5.853 -2.524 1.00 0.00 S ATOM 0 H CYS A 58 1.925 -3.007 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 58 1.432 -5.955 -4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.376 -5.457 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.516 -3.953 -2.287 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.729 -7.130 -2.421 1.00 0.00 H new ATOM 931 N ARG A 59 -0.956 -5.426 -5.332 1.00 0.00 N ATOM 932 CA ARG A 59 -2.086 -5.061 -6.235 1.00 0.00 C ATOM 933 C ARG A 59 -3.412 -5.097 -5.466 1.00 0.00 C ATOM 934 O ARG A 59 -3.482 -5.563 -4.346 1.00 0.00 O ATOM 935 CB ARG A 59 -2.147 -6.060 -7.391 1.00 0.00 C ATOM 936 CG ARG A 59 -2.017 -5.316 -8.720 1.00 0.00 C ATOM 937 CD ARG A 59 -3.285 -5.530 -9.550 1.00 0.00 C ATOM 938 NE ARG A 59 -3.242 -6.877 -10.193 1.00 0.00 N ATOM 939 CZ ARG A 59 -2.111 -7.363 -10.626 1.00 0.00 C ATOM 940 NH1 ARG A 59 -1.321 -6.626 -11.360 1.00 0.00 N ATOM 941 NH2 ARG A 59 -1.769 -8.585 -10.327 1.00 0.00 N ATOM 0 H ARG A 59 -0.961 -6.389 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.925 -4.054 -6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.347 -6.793 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.088 -6.609 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.862 -4.252 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.146 -5.676 -9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.166 -5.448 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.368 -4.755 -10.312 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.100 -7.419 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.588 -5.670 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.437 -7.006 -11.698 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.386 -9.162 -9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.885 -8.965 -10.666 1.00 0.00 H new ATOM 955 N VAL A 60 -4.462 -4.609 -6.070 1.00 0.00 N ATOM 956 CA VAL A 60 -5.794 -4.609 -5.397 1.00 0.00 C ATOM 957 C VAL A 60 -6.890 -4.579 -6.466 1.00 0.00 C ATOM 958 O VAL A 60 -6.729 -3.977 -7.510 1.00 0.00 O ATOM 959 CB VAL A 60 -5.918 -3.374 -4.502 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.363 -3.237 -4.020 1.00 0.00 C ATOM 961 CG2 VAL A 60 -4.991 -3.526 -3.293 1.00 0.00 C ATOM 0 H VAL A 60 -4.454 -4.207 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.898 -5.505 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.637 -2.486 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.452 -2.357 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.025 -3.131 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.644 -4.125 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.078 -2.647 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.273 -4.414 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.961 -3.625 -3.635 1.00 0.00 H new ATOM 971 N GLN A 61 -7.999 -5.225 -6.225 1.00 0.00 N ATOM 972 CA GLN A 61 -9.089 -5.229 -7.245 1.00 0.00 C ATOM 973 C GLN A 61 -10.328 -4.519 -6.695 1.00 0.00 C ATOM 974 O GLN A 61 -10.366 -4.108 -5.554 1.00 0.00 O ATOM 975 CB GLN A 61 -9.448 -6.674 -7.599 1.00 0.00 C ATOM 976 CG GLN A 61 -9.127 -6.935 -9.072 1.00 0.00 C ATOM 977 CD GLN A 61 -8.152 -8.108 -9.182 1.00 0.00 C ATOM 978 OE1 GLN A 61 -7.372 -8.352 -8.282 1.00 0.00 O ATOM 979 NE2 GLN A 61 -8.161 -8.850 -10.255 1.00 0.00 N ATOM 0 H GLN A 61 -8.198 -5.747 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.744 -4.705 -8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.889 -7.364 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.506 -6.854 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.042 -7.157 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.692 -6.043 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.815 -8.646 -11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.514 -9.634 -10.338 1.00 0.00 H new ATOM 988 N GLN A 62 -11.343 -4.374 -7.506 1.00 0.00 N ATOM 989 CA GLN A 62 -12.587 -3.695 -7.042 1.00 0.00 C ATOM 990 C GLN A 62 -13.786 -4.608 -7.309 1.00 0.00 C ATOM 991 O GLN A 62 -13.666 -5.625 -7.963 1.00 0.00 O ATOM 992 CB GLN A 62 -12.766 -2.382 -7.809 1.00 0.00 C ATOM 993 CG GLN A 62 -13.266 -1.296 -6.855 1.00 0.00 C ATOM 994 CD GLN A 62 -12.884 0.080 -7.404 1.00 0.00 C ATOM 995 OE1 GLN A 62 -12.916 0.302 -8.598 1.00 0.00 O ATOM 996 NE2 GLN A 62 -12.521 1.022 -6.576 1.00 0.00 N ATOM 0 H GLN A 62 -11.363 -4.698 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.515 -3.485 -5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.820 -2.079 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.476 -2.519 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.348 -1.367 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.832 -1.438 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.494 0.837 -5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.265 1.943 -6.932 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.943 -4.259 -6.813 1.00 0.00 N ATOM 1006 CA GLU A 63 -16.137 -5.120 -7.048 1.00 0.00 C ATOM 1007 C GLU A 63 -17.415 -4.283 -6.950 1.00 0.00 C ATOM 1008 O GLU A 63 -18.447 -4.759 -6.521 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.178 -6.234 -6.000 1.00 0.00 C ATOM 1010 CG GLU A 63 -16.527 -7.562 -6.678 1.00 0.00 C ATOM 1011 CD GLU A 63 -17.890 -8.045 -6.181 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -18.837 -7.280 -6.272 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -17.966 -9.172 -5.721 1.00 0.00 O ATOM 0 H GLU A 63 -15.112 -3.420 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.070 -5.556 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.213 -6.312 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.917 -6.000 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.546 -7.436 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.763 -8.307 -6.458 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.357 -3.043 -7.352 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.572 -2.177 -7.288 1.00 0.00 C ATOM 1022 C GLY A 64 -19.036 -2.041 -5.836 1.00 0.00 C ATOM 1023 O GLY A 64 -19.655 -2.930 -5.285 1.00 0.00 O ATOM 0 H GLY A 64 -16.521 -2.590 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.351 -1.193 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.369 -2.607 -7.895 1.00 0.00 H new ATOM 1027 N GLN A 65 -18.744 -0.934 -5.209 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.168 -0.748 -3.793 1.00 0.00 C ATOM 1029 C GLN A 65 -18.364 -1.690 -2.895 1.00 0.00 C ATOM 1030 O GLN A 65 -18.617 -1.803 -1.712 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.659 -1.064 -3.659 1.00 0.00 C ATOM 1032 CG GLN A 65 -21.341 0.030 -2.835 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.381 0.747 -3.698 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -22.481 1.957 -3.669 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -23.165 0.046 -4.470 1.00 0.00 N ATOM 0 H GLN A 65 -18.231 -0.152 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.989 0.284 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.118 -1.130 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.794 -2.033 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.819 -0.406 -1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.600 0.743 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -23.081 -0.970 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.862 0.514 -5.049 1.00 0.00 H new ATOM 1044 N THR A 66 -17.395 -2.368 -3.449 1.00 0.00 N ATOM 1045 CA THR A 66 -16.573 -3.303 -2.634 1.00 0.00 C ATOM 1046 C THR A 66 -15.146 -3.320 -3.181 1.00 0.00 C ATOM 1047 O THR A 66 -14.828 -2.632 -4.131 1.00 0.00 O ATOM 1048 CB THR A 66 -17.169 -4.707 -2.714 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.579 -4.615 -2.856 1.00 0.00 O ATOM 1050 CG2 THR A 66 -16.832 -5.482 -1.441 1.00 0.00 C ATOM 0 H THR A 66 -17.138 -2.313 -4.435 1.00 0.00 H new ATOM 0 HA THR A 66 -16.563 -2.975 -1.594 1.00 0.00 H new ATOM 0 HB THR A 66 -16.750 -5.229 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.962 -5.516 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.259 -6.483 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.750 -5.554 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.247 -4.962 -0.578 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.281 -4.098 -2.593 1.00 0.00 N ATOM 1059 CA VAL A 67 -12.878 -4.150 -3.085 1.00 0.00 C ATOM 1060 C VAL A 67 -12.231 -5.467 -2.652 1.00 0.00 C ATOM 1061 O VAL A 67 -12.403 -5.916 -1.536 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.091 -2.973 -2.498 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -11.725 -3.270 -1.044 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -10.811 -2.761 -3.306 1.00 0.00 C ATOM 0 H VAL A 67 -14.485 -4.699 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.871 -4.087 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.706 -2.074 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.166 -2.431 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.635 -3.421 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.113 -4.171 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.252 -1.924 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.200 -3.663 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.067 -2.545 -4.343 1.00 0.00 H new ATOM 1074 N MET A 68 -11.480 -6.084 -3.520 1.00 0.00 N ATOM 1075 CA MET A 68 -10.816 -7.363 -3.150 1.00 0.00 C ATOM 1076 C MET A 68 -9.429 -7.062 -2.579 1.00 0.00 C ATOM 1077 O MET A 68 -8.525 -6.671 -3.294 1.00 0.00 O ATOM 1078 CB MET A 68 -10.678 -8.244 -4.393 1.00 0.00 C ATOM 1079 CG MET A 68 -12.062 -8.510 -4.988 1.00 0.00 C ATOM 1080 SD MET A 68 -12.057 -10.109 -5.835 1.00 0.00 S ATOM 1081 CE MET A 68 -10.587 -9.823 -6.852 1.00 0.00 C ATOM 0 H MET A 68 -11.298 -5.758 -4.469 1.00 0.00 H new ATOM 0 HA MET A 68 -11.414 -7.885 -2.403 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.042 -7.754 -5.130 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.196 -9.186 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.815 -8.506 -4.200 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.328 -7.717 -5.687 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.435 -10.672 -7.519 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.724 -8.917 -7.443 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.715 -9.708 -6.208 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.249 -7.246 -1.297 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.919 -6.977 -0.686 1.00 0.00 C ATOM 1093 C LEU A 69 -7.388 -8.271 -0.071 1.00 0.00 C ATOM 1094 O LEU A 69 -7.567 -8.534 1.101 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.046 -5.903 0.405 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.650 -5.415 0.813 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -5.941 -6.498 1.628 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -5.828 -5.102 -0.439 1.00 0.00 C ATOM 0 H LEU A 69 -9.967 -7.571 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.232 -6.618 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.642 -5.067 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.567 -6.310 1.271 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.750 -4.514 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.950 -6.147 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.522 -6.718 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.845 -7.402 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.837 -4.756 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.733 -6.002 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.328 -4.325 -1.018 1.00 0.00 H new ATOM 1110 N GLY A 70 -6.743 -9.087 -0.856 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.206 -10.365 -0.316 1.00 0.00 C ATOM 1112 C GLY A 70 -7.294 -11.439 -0.355 1.00 0.00 C ATOM 1113 O GLY A 70 -7.990 -11.595 -1.338 1.00 0.00 O ATOM 0 H GLY A 70 -6.565 -8.924 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.344 -10.685 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.860 -10.221 0.708 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.443 -12.181 0.707 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.485 -13.246 0.733 1.00 0.00 C ATOM 1119 C ASN A 71 -9.761 -12.697 1.375 1.00 0.00 C ATOM 1120 O ASN A 71 -10.627 -13.440 1.792 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.976 -14.436 1.549 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.799 -14.016 3.010 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -6.912 -13.249 3.330 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.612 -14.488 3.914 1.00 0.00 N ATOM 0 H ASN A 71 -6.888 -12.096 1.559 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.701 -13.568 -0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.680 -15.265 1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.028 -14.789 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.504 -14.214 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.356 -15.132 3.645 1.00 0.00 H new ATOM 1131 N SER A 72 -9.884 -11.401 1.457 1.00 0.00 N ATOM 1132 CA SER A 72 -11.104 -10.805 2.071 1.00 0.00 C ATOM 1133 C SER A 72 -11.411 -9.469 1.395 1.00 0.00 C ATOM 1134 O SER A 72 -10.546 -8.631 1.234 1.00 0.00 O ATOM 1135 CB SER A 72 -10.866 -10.580 3.565 1.00 0.00 C ATOM 1136 OG SER A 72 -12.114 -10.377 4.214 1.00 0.00 O ATOM 0 H SER A 72 -9.192 -10.729 1.125 1.00 0.00 H new ATOM 0 HA SER A 72 -11.947 -11.482 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.354 -11.440 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.220 -9.715 3.716 1.00 0.00 H new ATOM 0 HG SER A 72 -11.965 -10.234 5.172 1.00 0.00 H new ATOM 1142 N GLU A 73 -12.635 -9.262 0.995 1.00 0.00 N ATOM 1143 CA GLU A 73 -12.992 -7.978 0.328 1.00 0.00 C ATOM 1144 C GLU A 73 -13.552 -7.001 1.366 1.00 0.00 C ATOM 1145 O GLU A 73 -14.354 -7.364 2.203 1.00 0.00 O ATOM 1146 CB GLU A 73 -14.032 -8.240 -0.774 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.444 -8.312 -0.178 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.568 -9.552 0.709 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -15.256 -10.631 0.232 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.975 -9.402 1.849 1.00 0.00 O ATOM 0 H GLU A 73 -13.403 -9.925 1.101 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.102 -7.541 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.987 -7.447 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.800 -9.174 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.649 -7.414 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.185 -8.349 -0.977 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.138 -5.765 1.316 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.652 -4.771 2.301 1.00 0.00 C ATOM 1159 C PHE A 74 -14.612 -3.808 1.602 1.00 0.00 C ATOM 1160 O PHE A 74 -15.084 -4.069 0.514 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.486 -3.981 2.895 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.358 -4.294 4.366 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -12.037 -5.591 4.781 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.554 -3.284 5.316 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -11.914 -5.880 6.146 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -12.431 -3.571 6.679 1.00 0.00 C ATOM 1167 CZ PHE A 74 -12.110 -4.869 7.095 1.00 0.00 C ATOM 0 H PHE A 74 -12.468 -5.401 0.638 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.177 -5.296 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.561 -4.235 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.648 -2.912 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.884 -6.370 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.800 -2.282 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.668 -6.882 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.584 -2.792 7.411 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.014 -5.090 8.148 1.00 0.00 H new ATOM 1177 N ASP A 75 -14.908 -2.699 2.221 1.00 0.00 N ATOM 1178 CA ASP A 75 -15.843 -1.722 1.595 1.00 0.00 C ATOM 1179 C ASP A 75 -15.077 -0.800 0.643 1.00 0.00 C ATOM 1180 O ASP A 75 -15.633 -0.278 -0.303 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.507 -0.885 2.689 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.337 0.230 2.047 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -17.987 -0.041 1.052 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -17.305 1.335 2.562 1.00 0.00 O ATOM 0 H ASP A 75 -14.543 -2.427 3.134 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.603 -2.264 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.144 -1.516 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.749 -0.457 3.345 1.00 0.00 H new ATOM 1189 N SER A 76 -13.808 -0.592 0.883 1.00 0.00 N ATOM 1190 CA SER A 76 -13.016 0.305 -0.012 1.00 0.00 C ATOM 1191 C SER A 76 -11.676 0.612 0.654 1.00 0.00 C ATOM 1192 O SER A 76 -11.559 0.558 1.855 1.00 0.00 O ATOM 1193 CB SER A 76 -13.777 1.612 -0.241 1.00 0.00 C ATOM 1194 OG SER A 76 -14.653 1.842 0.855 1.00 0.00 O ATOM 0 H SER A 76 -13.287 -1.003 1.658 1.00 0.00 H new ATOM 0 HA SER A 76 -12.853 -0.188 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.077 2.441 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.344 1.558 -1.170 1.00 0.00 H new ATOM 0 HG SER A 76 -15.142 2.679 0.713 1.00 0.00 H new ATOM 1200 N LEU A 77 -10.671 0.927 -0.121 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.326 1.230 0.461 1.00 0.00 C ATOM 1202 C LEU A 77 -9.459 2.111 1.708 1.00 0.00 C ATOM 1203 O LEU A 77 -8.597 2.119 2.564 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.473 1.952 -0.585 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.692 0.924 -1.404 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -7.627 1.377 -2.864 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -6.273 0.799 -0.846 1.00 0.00 C ATOM 0 H LEU A 77 -10.723 0.988 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.850 0.292 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.109 2.547 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.785 2.641 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.192 -0.043 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.070 0.644 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.638 1.466 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.127 2.344 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.716 0.066 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.773 1.766 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.318 0.476 0.194 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.527 2.854 1.824 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.696 3.726 3.024 1.00 0.00 C ATOM 1221 C VAL A 78 -10.958 2.863 4.268 1.00 0.00 C ATOM 1222 O VAL A 78 -10.174 2.853 5.196 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.858 4.709 2.802 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -13.056 3.991 2.169 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -12.283 5.313 4.144 1.00 0.00 C ATOM 0 H VAL A 78 -11.286 2.896 1.144 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.781 4.297 3.180 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.522 5.498 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.869 4.702 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.761 3.569 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.391 3.191 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.106 6.009 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.605 4.517 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.440 5.843 4.588 1.00 0.00 H new ATOM 1235 N ASP A 79 -12.047 2.140 4.303 1.00 0.00 N ATOM 1236 CA ASP A 79 -12.336 1.288 5.493 1.00 0.00 C ATOM 1237 C ASP A 79 -11.287 0.178 5.592 1.00 0.00 C ATOM 1238 O ASP A 79 -11.164 -0.494 6.600 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.727 0.664 5.348 1.00 0.00 C ATOM 1240 CG ASP A 79 -14.445 0.693 6.698 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -14.185 1.606 7.465 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -15.242 -0.197 6.942 1.00 0.00 O ATOM 0 H ASP A 79 -12.746 2.103 3.561 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.304 1.900 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.307 1.211 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.641 -0.363 4.992 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.517 -0.006 4.556 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.466 -1.055 4.582 1.00 0.00 C ATOM 1249 C LEU A 80 -8.319 -0.543 5.440 1.00 0.00 C ATOM 1250 O LEU A 80 -7.796 -1.241 6.284 1.00 0.00 O ATOM 1251 CB LEU A 80 -8.967 -1.320 3.160 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.708 -2.520 2.564 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -10.834 -2.030 1.664 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.730 -3.361 1.743 1.00 0.00 C ATOM 0 H LEU A 80 -10.573 0.529 3.689 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.864 -1.984 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.126 -0.438 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.894 -1.513 3.172 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.126 -3.125 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.360 -2.886 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.531 -1.428 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.419 -1.425 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.254 -4.216 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.314 -2.754 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.924 -3.713 2.387 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.943 0.688 5.237 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.848 1.276 6.047 1.00 0.00 C ATOM 1268 C ILE A 81 -7.343 1.401 7.491 1.00 0.00 C ATOM 1269 O ILE A 81 -6.583 1.311 8.435 1.00 0.00 O ATOM 1270 CB ILE A 81 -6.486 2.655 5.463 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -5.330 2.497 4.473 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -6.068 3.623 6.573 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -5.629 1.343 3.514 1.00 0.00 C ATOM 0 H ILE A 81 -8.350 1.313 4.541 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.956 0.650 6.028 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.363 3.060 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.189 3.421 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.401 2.305 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.817 4.590 6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.890 3.745 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.199 3.224 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.804 1.232 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.748 0.420 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.548 1.554 2.967 1.00 0.00 H new ATOM 1285 N SER A 82 -8.621 1.599 7.666 1.00 0.00 N ATOM 1286 CA SER A 82 -9.173 1.719 9.043 1.00 0.00 C ATOM 1287 C SER A 82 -8.865 0.438 9.816 1.00 0.00 C ATOM 1288 O SER A 82 -8.335 0.473 10.908 1.00 0.00 O ATOM 1289 CB SER A 82 -10.687 1.920 8.970 1.00 0.00 C ATOM 1290 OG SER A 82 -11.275 1.493 10.191 1.00 0.00 O ATOM 0 H SER A 82 -9.306 1.683 6.915 1.00 0.00 H new ATOM 0 HA SER A 82 -8.721 2.572 9.549 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.918 2.970 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.101 1.354 8.136 1.00 0.00 H new ATOM 0 HG SER A 82 -12.246 1.622 10.149 1.00 0.00 H new ATOM 1296 N TYR A 83 -9.188 -0.698 9.257 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.906 -1.978 9.968 1.00 0.00 C ATOM 1298 C TYR A 83 -7.418 -2.325 9.825 1.00 0.00 C ATOM 1299 O TYR A 83 -6.900 -3.175 10.521 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.776 -3.099 9.374 1.00 0.00 C ATOM 1301 CG TYR A 83 -9.086 -3.730 8.183 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.085 -4.689 8.384 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -9.442 -3.354 6.883 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -7.443 -5.274 7.286 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -8.799 -3.939 5.785 1.00 0.00 C ATOM 1306 CZ TYR A 83 -7.800 -4.898 5.987 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.167 -5.472 4.904 1.00 0.00 O ATOM 0 H TYR A 83 -9.632 -0.795 8.344 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.144 -1.871 11.026 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.971 -3.857 10.133 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.742 -2.696 9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.808 -4.977 9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.212 -2.613 6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.673 -6.015 7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.074 -3.650 4.782 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.535 -5.100 4.075 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.731 -1.674 8.925 1.00 0.00 N ATOM 1318 CA TYR A 84 -5.283 -1.967 8.730 1.00 0.00 C ATOM 1319 C TYR A 84 -4.469 -1.201 9.781 1.00 0.00 C ATOM 1320 O TYR A 84 -3.310 -1.485 10.011 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.879 -1.564 7.293 1.00 0.00 C ATOM 1322 CG TYR A 84 -3.638 -0.693 7.281 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -2.367 -1.281 7.274 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -3.764 0.701 7.271 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -1.225 -0.472 7.257 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -2.623 1.507 7.253 1.00 0.00 C ATOM 1327 CZ TYR A 84 -1.353 0.922 7.246 1.00 0.00 C ATOM 1328 OH TYR A 84 -0.229 1.720 7.227 1.00 0.00 O ATOM 0 H TYR A 84 -7.112 -0.950 8.315 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.083 -3.031 8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.699 -2.461 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.703 -1.030 6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.268 -2.356 7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.744 1.154 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.244 -0.924 7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.722 2.582 7.244 1.00 0.00 H new ATOM 0 HH TYR A 84 0.330 1.479 6.459 1.00 0.00 H new ATOM 1338 N GLU A 85 -5.068 -0.235 10.421 1.00 0.00 N ATOM 1339 CA GLU A 85 -4.328 0.541 11.455 1.00 0.00 C ATOM 1340 C GLU A 85 -3.970 -0.381 12.623 1.00 0.00 C ATOM 1341 O GLU A 85 -3.203 -0.025 13.494 1.00 0.00 O ATOM 1342 CB GLU A 85 -5.207 1.687 11.960 1.00 0.00 C ATOM 1343 CG GLU A 85 -5.037 2.901 11.045 1.00 0.00 C ATOM 1344 CD GLU A 85 -3.558 3.283 10.973 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -2.946 3.402 12.021 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -3.062 3.450 9.871 1.00 0.00 O ATOM 0 H GLU A 85 -6.036 0.050 10.273 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.416 0.949 11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.252 1.377 11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.932 1.947 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.414 2.674 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.622 3.739 11.423 1.00 0.00 H new ATOM 1353 N LYS A 86 -4.522 -1.565 12.647 1.00 0.00 N ATOM 1354 CA LYS A 86 -4.214 -2.508 13.758 1.00 0.00 C ATOM 1355 C LYS A 86 -3.826 -3.871 13.178 1.00 0.00 C ATOM 1356 O LYS A 86 -2.985 -4.567 13.710 1.00 0.00 O ATOM 1357 CB LYS A 86 -5.450 -2.667 14.647 1.00 0.00 C ATOM 1358 CG LYS A 86 -5.012 -2.910 16.092 1.00 0.00 C ATOM 1359 CD LYS A 86 -6.243 -2.934 17.001 1.00 0.00 C ATOM 1360 CE LYS A 86 -6.350 -1.604 17.751 1.00 0.00 C ATOM 1361 NZ LYS A 86 -7.443 -0.784 17.154 1.00 0.00 N ATOM 0 H LYS A 86 -5.172 -1.918 11.945 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.387 -2.116 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.070 -1.772 14.589 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.059 -3.500 14.296 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.474 -3.855 16.166 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.326 -2.126 16.412 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.142 -3.103 16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.169 -3.759 17.710 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.551 -1.785 18.807 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.404 -1.065 17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.516 0.120 17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.232 -0.601 16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.344 -1.298 17.230 1.00 0.00 H new ATOM 1375 N HIS A 87 -4.432 -4.256 12.088 1.00 0.00 N ATOM 1376 CA HIS A 87 -4.101 -5.571 11.471 1.00 0.00 C ATOM 1377 C HIS A 87 -3.059 -5.370 10.369 1.00 0.00 C ATOM 1378 O HIS A 87 -2.938 -4.293 9.818 1.00 0.00 O ATOM 1379 CB HIS A 87 -5.367 -6.186 10.871 1.00 0.00 C ATOM 1380 CG HIS A 87 -6.426 -6.288 11.934 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -7.714 -6.718 11.655 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -6.405 -6.016 13.279 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -8.408 -6.693 12.808 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -7.657 -6.273 13.830 1.00 0.00 N ATOM 0 H HIS A 87 -5.144 -3.715 11.597 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.699 -6.239 12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.725 -5.574 10.043 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.148 -7.173 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.547 -5.657 13.827 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.446 -6.978 12.896 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.940 -6.164 14.804 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.336 -6.420 10.088 1.00 0.00 N ATOM 1393 CA PRO A 88 -1.263 -6.462 9.060 1.00 0.00 C ATOM 1394 C PRO A 88 -1.871 -6.626 7.664 1.00 0.00 C ATOM 1395 O PRO A 88 -3.052 -6.871 7.514 1.00 0.00 O ATOM 1396 CB PRO A 88 -0.410 -7.678 9.411 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.310 -8.607 10.232 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.469 -7.746 10.754 1.00 0.00 C ATOM 0 HA PRO A 88 -0.676 -5.544 9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.054 -8.177 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.471 -7.384 9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.682 -9.427 9.618 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.756 -9.053 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.430 -8.204 10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.420 -7.644 11.838 1.00 0.00 H new ATOM 1406 N LEU A 89 -1.070 -6.495 6.642 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.596 -6.646 5.256 1.00 0.00 C ATOM 1408 C LEU A 89 -0.959 -7.877 4.606 1.00 0.00 C ATOM 1409 O LEU A 89 -1.637 -8.802 4.206 1.00 0.00 O ATOM 1410 CB LEU A 89 -1.250 -5.399 4.438 1.00 0.00 C ATOM 1411 CG LEU A 89 -2.289 -5.206 3.332 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -3.042 -3.895 3.562 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.584 -5.156 1.975 1.00 0.00 C ATOM 0 H LEU A 89 -0.073 -6.290 6.707 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.679 -6.768 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.226 -4.522 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.256 -5.501 4.003 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.994 -6.037 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.782 -3.758 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.544 -3.928 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.338 -3.063 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.323 -5.019 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.880 -4.324 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.046 -6.090 1.810 1.00 0.00 H new ATOM 1425 N TYR A 90 0.342 -7.895 4.502 1.00 0.00 N ATOM 1426 CA TYR A 90 1.026 -9.066 3.883 1.00 0.00 C ATOM 1427 C TYR A 90 1.471 -10.029 4.992 1.00 0.00 C ATOM 1428 O TYR A 90 1.358 -9.729 6.164 1.00 0.00 O ATOM 1429 CB TYR A 90 2.232 -8.573 3.075 1.00 0.00 C ATOM 1430 CG TYR A 90 2.783 -9.696 2.227 1.00 0.00 C ATOM 1431 CD1 TYR A 90 1.912 -10.551 1.541 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.166 -9.880 2.124 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.424 -11.589 0.755 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.679 -10.917 1.338 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.808 -11.772 0.653 1.00 0.00 C ATOM 1436 OH TYR A 90 4.314 -12.796 -0.122 1.00 0.00 O ATOM 0 H TYR A 90 0.961 -7.149 4.819 1.00 0.00 H new ATOM 0 HA TYR A 90 0.347 -9.593 3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.937 -7.738 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.005 -8.203 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.844 -10.409 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.839 -9.220 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.752 -12.249 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.747 -11.058 1.260 1.00 0.00 H new ATOM 0 HH TYR A 90 5.293 -12.781 -0.085 1.00 0.00 H new ATOM 1446 N ARG A 91 1.954 -11.191 4.634 1.00 0.00 N ATOM 1447 CA ARG A 91 2.383 -12.184 5.667 1.00 0.00 C ATOM 1448 C ARG A 91 3.832 -11.918 6.099 1.00 0.00 C ATOM 1449 O ARG A 91 4.649 -12.816 6.126 1.00 0.00 O ATOM 1450 CB ARG A 91 2.290 -13.591 5.074 1.00 0.00 C ATOM 1451 CG ARG A 91 1.728 -14.550 6.124 1.00 0.00 C ATOM 1452 CD ARG A 91 2.765 -14.769 7.225 1.00 0.00 C ATOM 1453 NE ARG A 91 2.584 -13.746 8.296 1.00 0.00 N ATOM 1454 CZ ARG A 91 3.181 -13.896 9.448 1.00 0.00 C ATOM 1455 NH1 ARG A 91 3.218 -15.070 10.016 1.00 0.00 N ATOM 1456 NH2 ARG A 91 3.743 -12.872 10.029 1.00 0.00 N ATOM 0 H ARG A 91 2.070 -11.497 3.668 1.00 0.00 H new ATOM 0 HA ARG A 91 1.732 -12.094 6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.649 -13.584 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.275 -13.926 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.811 -14.142 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.469 -15.502 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.660 -15.770 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.771 -14.701 6.810 1.00 0.00 H new ATOM 0 HE ARG A 91 1.995 -12.930 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.781 -15.871 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.684 -15.187 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.716 -11.955 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.209 -12.989 10.929 1.00 0.00 H new ATOM 1470 N LYS A 92 4.162 -10.701 6.447 1.00 0.00 N ATOM 1471 CA LYS A 92 5.560 -10.411 6.882 1.00 0.00 C ATOM 1472 C LYS A 92 5.682 -8.941 7.296 1.00 0.00 C ATOM 1473 O LYS A 92 6.243 -8.622 8.325 1.00 0.00 O ATOM 1474 CB LYS A 92 6.530 -10.697 5.732 1.00 0.00 C ATOM 1475 CG LYS A 92 6.390 -9.614 4.663 1.00 0.00 C ATOM 1476 CD LYS A 92 7.203 -10.009 3.429 1.00 0.00 C ATOM 1477 CE LYS A 92 8.667 -9.611 3.632 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.842 -8.172 3.289 1.00 0.00 N ATOM 0 H LYS A 92 3.529 -9.901 6.449 1.00 0.00 H new ATOM 0 HA LYS A 92 5.806 -11.048 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.554 -10.724 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.321 -11.676 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.341 -9.486 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.739 -8.657 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.127 -11.083 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.801 -9.517 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.963 -9.788 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.313 -10.226 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.788 -7.857 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.740 -8.045 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.120 -7.608 3.781 1.00 0.00 H new ATOM 1492 N MET A 93 5.164 -8.042 6.503 1.00 0.00 N ATOM 1493 CA MET A 93 5.259 -6.598 6.855 1.00 0.00 C ATOM 1494 C MET A 93 3.893 -6.096 7.328 1.00 0.00 C ATOM 1495 O MET A 93 2.885 -6.751 7.152 1.00 0.00 O ATOM 1496 CB MET A 93 5.696 -5.801 5.624 1.00 0.00 C ATOM 1497 CG MET A 93 7.093 -5.222 5.859 1.00 0.00 C ATOM 1498 SD MET A 93 6.951 -3.635 6.718 1.00 0.00 S ATOM 1499 CE MET A 93 8.673 -3.115 6.518 1.00 0.00 C ATOM 0 H MET A 93 4.680 -8.246 5.628 1.00 0.00 H new ATOM 0 HA MET A 93 5.990 -6.466 7.653 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.701 -6.444 4.744 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.986 -4.997 5.427 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.691 -5.915 6.450 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.608 -5.088 4.908 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.707 -2.052 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.217 -3.295 7.445 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.134 -3.684 5.711 1.00 0.00 H new ATOM 1509 N LYS A 94 3.852 -4.936 7.926 1.00 0.00 N ATOM 1510 CA LYS A 94 2.551 -4.395 8.407 1.00 0.00 C ATOM 1511 C LYS A 94 2.108 -3.247 7.499 1.00 0.00 C ATOM 1512 O LYS A 94 1.088 -2.626 7.722 1.00 0.00 O ATOM 1513 CB LYS A 94 2.710 -3.881 9.840 1.00 0.00 C ATOM 1514 CG LYS A 94 1.738 -4.622 10.760 1.00 0.00 C ATOM 1515 CD LYS A 94 1.899 -4.109 12.192 1.00 0.00 C ATOM 1516 CE LYS A 94 1.592 -5.239 13.177 1.00 0.00 C ATOM 1517 NZ LYS A 94 2.757 -5.436 14.086 1.00 0.00 N ATOM 0 H LYS A 94 4.662 -4.342 8.101 1.00 0.00 H new ATOM 0 HA LYS A 94 1.800 -5.185 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.735 -4.031 10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.516 -2.809 9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.713 -4.471 10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.931 -5.694 10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.914 -3.743 12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.227 -3.268 12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.701 -4.998 13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.380 -6.161 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.549 -6.204 14.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.597 -5.684 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.939 -4.558 14.612 1.00 0.00 H new ATOM 1531 N LEU A 95 2.866 -2.965 6.475 1.00 0.00 N ATOM 1532 CA LEU A 95 2.494 -1.860 5.546 1.00 0.00 C ATOM 1533 C LEU A 95 2.135 -0.610 6.352 1.00 0.00 C ATOM 1534 O LEU A 95 1.245 0.135 5.993 1.00 0.00 O ATOM 1535 CB LEU A 95 1.288 -2.287 4.706 1.00 0.00 C ATOM 1536 CG LEU A 95 1.504 -1.867 3.251 1.00 0.00 C ATOM 1537 CD1 LEU A 95 1.154 -3.033 2.325 1.00 0.00 C ATOM 1538 CD2 LEU A 95 0.604 -0.673 2.927 1.00 0.00 C ATOM 0 H LEU A 95 3.730 -3.454 6.241 1.00 0.00 H new ATOM 0 HA LEU A 95 3.337 -1.638 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.153 -3.367 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.379 -1.829 5.097 1.00 0.00 H new ATOM 0 HG LEU A 95 2.547 -1.588 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.308 -2.733 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.794 -3.885 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.111 -3.313 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.757 -0.373 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.439 -0.953 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.852 0.159 3.586 1.00 0.00 H new ATOM 1550 N ARG A 96 2.815 -0.376 7.441 1.00 0.00 N ATOM 1551 CA ARG A 96 2.501 0.824 8.267 1.00 0.00 C ATOM 1552 C ARG A 96 3.761 1.669 8.465 1.00 0.00 C ATOM 1553 O ARG A 96 3.716 2.729 9.055 1.00 0.00 O ATOM 1554 CB ARG A 96 1.965 0.380 9.629 1.00 0.00 C ATOM 1555 CG ARG A 96 3.109 -0.200 10.463 1.00 0.00 C ATOM 1556 CD ARG A 96 3.580 0.845 11.477 1.00 0.00 C ATOM 1557 NE ARG A 96 4.566 0.223 12.406 1.00 0.00 N ATOM 1558 CZ ARG A 96 5.317 0.977 13.161 1.00 0.00 C ATOM 1559 NH1 ARG A 96 4.778 1.928 13.875 1.00 0.00 N ATOM 1560 NH2 ARG A 96 6.606 0.779 13.202 1.00 0.00 N ATOM 0 H ARG A 96 3.572 -0.962 7.794 1.00 0.00 H new ATOM 0 HA ARG A 96 1.748 1.422 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.515 1.226 10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.182 -0.366 9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.777 -1.100 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.935 -0.491 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.034 1.691 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.730 1.233 12.038 1.00 0.00 H new ATOM 0 HE ARG A 96 4.654 -0.792 12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.770 2.081 13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.365 2.518 14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.026 0.035 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.194 1.368 13.792 1.00 0.00 H new ATOM 1574 N TYR A 97 4.884 1.214 7.979 1.00 0.00 N ATOM 1575 CA TYR A 97 6.135 2.004 8.147 1.00 0.00 C ATOM 1576 C TYR A 97 5.888 3.443 7.680 1.00 0.00 C ATOM 1577 O TYR A 97 5.740 3.691 6.499 1.00 0.00 O ATOM 1578 CB TYR A 97 7.247 1.378 7.305 1.00 0.00 C ATOM 1579 CG TYR A 97 8.222 0.661 8.207 1.00 0.00 C ATOM 1580 CD1 TYR A 97 7.973 -0.658 8.602 1.00 0.00 C ATOM 1581 CD2 TYR A 97 9.377 1.318 8.649 1.00 0.00 C ATOM 1582 CE1 TYR A 97 8.878 -1.322 9.438 1.00 0.00 C ATOM 1583 CE2 TYR A 97 10.282 0.654 9.486 1.00 0.00 C ATOM 1584 CZ TYR A 97 10.033 -0.666 9.881 1.00 0.00 C ATOM 1585 OH TYR A 97 10.926 -1.320 10.704 1.00 0.00 O ATOM 0 H TYR A 97 4.988 0.333 7.475 1.00 0.00 H new ATOM 0 HA TYR A 97 6.432 2.005 9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.822 0.680 6.584 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.764 2.150 6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.082 -1.164 8.262 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.570 2.336 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.685 -2.340 9.741 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.173 1.160 9.827 1.00 0.00 H new ATOM 0 HH TYR A 97 11.673 -0.722 10.917 1.00 0.00 H new ATOM 1595 N PRO A 98 5.843 4.349 8.625 1.00 0.00 N ATOM 1596 CA PRO A 98 5.605 5.798 8.397 1.00 0.00 C ATOM 1597 C PRO A 98 6.897 6.488 7.952 1.00 0.00 C ATOM 1598 O PRO A 98 7.843 5.849 7.532 1.00 0.00 O ATOM 1599 CB PRO A 98 5.149 6.355 9.744 1.00 0.00 C ATOM 1600 CG PRO A 98 5.685 5.390 10.808 1.00 0.00 C ATOM 1601 CD PRO A 98 6.020 4.080 10.082 1.00 0.00 C ATOM 0 HA PRO A 98 4.864 5.966 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.537 7.362 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.062 6.421 9.790 1.00 0.00 H new ATOM 0 HG2 PRO A 98 6.570 5.801 11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.942 5.222 11.588 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.041 3.767 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.363 3.275 10.411 1.00 0.00 H new ATOM 1609 N ILE A 99 6.943 7.790 8.041 1.00 0.00 N ATOM 1610 CA ILE A 99 8.170 8.526 7.626 1.00 0.00 C ATOM 1611 C ILE A 99 8.566 9.511 8.727 1.00 0.00 C ATOM 1612 O ILE A 99 7.818 10.406 9.070 1.00 0.00 O ATOM 1613 CB ILE A 99 7.891 9.293 6.332 1.00 0.00 C ATOM 1614 CG1 ILE A 99 7.127 8.390 5.359 1.00 0.00 C ATOM 1615 CG2 ILE A 99 9.214 9.723 5.696 1.00 0.00 C ATOM 1616 CD1 ILE A 99 8.068 7.314 4.813 1.00 0.00 C ATOM 0 H ILE A 99 6.182 8.376 8.384 1.00 0.00 H new ATOM 0 HA ILE A 99 8.982 7.818 7.460 1.00 0.00 H new ATOM 0 HB ILE A 99 7.293 10.176 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.281 7.925 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.721 8.983 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.014 10.269 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.758 10.366 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.814 8.841 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.524 6.672 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.899 7.788 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.453 6.714 5.638 1.00 0.00 H new ATOM 1628 N ASN A 100 9.735 9.356 9.285 1.00 0.00 N ATOM 1629 CA ASN A 100 10.175 10.285 10.364 1.00 0.00 C ATOM 1630 C ASN A 100 10.610 11.617 9.750 1.00 0.00 C ATOM 1631 O ASN A 100 10.633 11.777 8.546 1.00 0.00 O ATOM 1632 CB ASN A 100 11.352 9.665 11.122 1.00 0.00 C ATOM 1633 CG ASN A 100 10.824 8.717 12.200 1.00 0.00 C ATOM 1634 OD1 ASN A 100 10.135 7.762 11.900 1.00 0.00 O ATOM 1635 ND2 ASN A 100 11.121 8.939 13.450 1.00 0.00 N ATOM 0 H ASN A 100 10.405 8.626 9.041 1.00 0.00 H new ATOM 0 HA ASN A 100 9.348 10.457 11.052 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.998 9.123 10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.958 10.448 11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.775 8.311 14.176 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.699 9.740 13.702 1.00 0.00 H new ATOM 1642 N GLU A 101 10.956 12.572 10.568 1.00 0.00 N ATOM 1643 CA GLU A 101 11.391 13.893 10.033 1.00 0.00 C ATOM 1644 C GLU A 101 12.801 14.207 10.538 1.00 0.00 C ATOM 1645 O GLU A 101 13.133 15.340 10.820 1.00 0.00 O ATOM 1646 CB GLU A 101 10.425 14.981 10.508 1.00 0.00 C ATOM 1647 CG GLU A 101 9.012 14.403 10.602 1.00 0.00 C ATOM 1648 CD GLU A 101 7.989 15.533 10.472 1.00 0.00 C ATOM 1649 OE1 GLU A 101 7.891 16.098 9.395 1.00 0.00 O ATOM 1650 OE2 GLU A 101 7.318 15.815 11.452 1.00 0.00 O ATOM 0 H GLU A 101 10.956 12.495 11.585 1.00 0.00 H new ATOM 0 HA GLU A 101 11.393 13.861 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.739 15.362 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.440 15.823 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.856 13.665 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.881 13.887 11.553 1.00 0.00 H new ATOM 1657 N GLU A 102 13.633 13.208 10.653 1.00 0.00 N ATOM 1658 CA GLU A 102 15.022 13.446 11.140 1.00 0.00 C ATOM 1659 C GLU A 102 15.852 12.175 10.945 1.00 0.00 C ATOM 1660 O GLU A 102 17.025 12.230 10.635 1.00 0.00 O ATOM 1661 CB GLU A 102 14.986 13.808 12.626 1.00 0.00 C ATOM 1662 CG GLU A 102 13.938 12.951 13.337 1.00 0.00 C ATOM 1663 CD GLU A 102 12.790 13.840 13.815 1.00 0.00 C ATOM 1664 OE1 GLU A 102 13.002 14.598 14.748 1.00 0.00 O ATOM 1665 OE2 GLU A 102 11.716 13.750 13.242 1.00 0.00 O ATOM 0 H GLU A 102 13.411 12.237 10.431 1.00 0.00 H new ATOM 0 HA GLU A 102 15.471 14.265 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 102 15.967 13.647 13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.750 14.865 12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 102 13.561 12.184 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 102 14.389 12.435 14.184 1.00 0.00 H new ATOM 1672 N ASN A 103 15.251 11.031 11.123 1.00 0.00 N ATOM 1673 CA ASN A 103 16.003 9.757 10.947 1.00 0.00 C ATOM 1674 C ASN A 103 15.018 8.618 10.678 1.00 0.00 C ATOM 1675 O ASN A 103 14.038 8.455 11.378 1.00 0.00 O ATOM 1676 CB ASN A 103 16.799 9.454 12.218 1.00 0.00 C ATOM 1677 CG ASN A 103 18.016 8.594 11.868 1.00 0.00 C ATOM 1678 OD1 ASN A 103 17.896 7.611 11.164 1.00 0.00 O ATOM 1679 ND2 ASN A 103 19.189 8.926 12.331 1.00 0.00 N ATOM 0 H ASN A 103 14.271 10.923 11.383 1.00 0.00 H new ATOM 0 HA ASN A 103 16.688 9.852 10.104 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.121 10.383 12.688 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.168 8.934 12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.006 8.360 12.102 1.00 0.00 H new ATOM 0 HD22 ASN A 103 19.289 9.751 12.922 1.00 0.00 H new ATOM 1686 N SER A 104 15.269 7.829 9.670 1.00 0.00 N ATOM 1687 CA SER A 104 14.344 6.703 9.359 1.00 0.00 C ATOM 1688 C SER A 104 14.546 5.581 10.380 1.00 0.00 C ATOM 1689 O SER A 104 15.641 5.089 10.568 1.00 0.00 O ATOM 1690 CB SER A 104 14.638 6.175 7.955 1.00 0.00 C ATOM 1691 OG SER A 104 15.833 5.405 7.984 1.00 0.00 O ATOM 0 H SER A 104 16.074 7.915 9.049 1.00 0.00 H new ATOM 0 HA SER A 104 13.313 7.055 9.406 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.807 5.565 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.743 7.005 7.256 1.00 0.00 H new ATOM 0 HG SER A 104 16.187 5.385 8.897 1.00 0.00 H new ATOM 1697 N SER A 105 13.498 5.172 11.042 1.00 0.00 N ATOM 1698 CA SER A 105 13.631 4.083 12.049 1.00 0.00 C ATOM 1699 C SER A 105 12.801 2.875 11.608 1.00 0.00 C ATOM 1700 O SER A 105 12.147 2.974 10.582 1.00 0.00 O ATOM 1701 CB SER A 105 13.128 4.578 13.405 1.00 0.00 C ATOM 1702 OG SER A 105 14.132 5.382 14.013 1.00 0.00 O ATOM 1703 OXT SER A 105 12.833 1.874 12.302 1.00 0.00 O ATOM 0 H SER A 105 12.556 5.545 10.928 1.00 0.00 H new ATOM 0 HA SER A 105 14.678 3.793 12.133 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.212 5.154 13.278 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.885 3.731 14.047 1.00 0.00 H new ATOM 0 HG SER A 105 13.812 5.703 14.882 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 12.712 -10.918 -3.343 1.00 0.00 N ATOM 1711 CA ASP B 1 11.889 -10.979 -4.585 1.00 0.00 C ATOM 1712 C ASP B 1 11.291 -9.600 -4.869 1.00 0.00 C ATOM 1713 O ASP B 1 10.156 -9.324 -4.533 1.00 0.00 O ATOM 1714 CB ASP B 1 10.762 -11.997 -4.399 1.00 0.00 C ATOM 1715 CG ASP B 1 10.363 -12.573 -5.759 1.00 0.00 C ATOM 1716 OD1 ASP B 1 11.204 -13.198 -6.386 1.00 0.00 O ATOM 1717 OD2 ASP B 1 9.224 -12.379 -6.151 1.00 0.00 O ATOM 0 H1 ASP B 1 12.696 -11.844 -2.870 1.00 0.00 H new ATOM 0 H2 ASP B 1 13.692 -10.672 -3.588 1.00 0.00 H new ATOM 0 H3 ASP B 1 12.323 -10.196 -2.704 1.00 0.00 H new ATOM 0 HA ASP B 1 12.517 -11.281 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP B 1 11.087 -12.798 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP B 1 9.902 -11.521 -3.928 1.00 0.00 H new ATOM 1724 N ASN B 2 12.044 -8.730 -5.484 1.00 0.00 N ATOM 1725 CA ASN B 2 11.516 -7.370 -5.788 1.00 0.00 C ATOM 1726 C ASN B 2 10.374 -7.481 -6.799 1.00 0.00 C ATOM 1727 O ASN B 2 10.588 -7.495 -7.994 1.00 0.00 O ATOM 1728 CB ASN B 2 12.636 -6.508 -6.375 1.00 0.00 C ATOM 1729 CG ASN B 2 13.375 -5.791 -5.244 1.00 0.00 C ATOM 1730 OD1 ASN B 2 13.799 -6.412 -4.290 1.00 0.00 O ATOM 1731 ND2 ASN B 2 13.549 -4.499 -5.312 1.00 0.00 N ATOM 0 H ASN B 2 13.002 -8.902 -5.789 1.00 0.00 H new ATOM 0 HA ASN B 2 11.146 -6.910 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN B 2 13.330 -7.130 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN B 2 12.221 -5.780 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN B 2 14.041 -4.011 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN B 2 13.193 -3.978 -6.113 1.00 0.00 H new ATOM 1738 N ASP B 3 9.159 -7.558 -6.327 1.00 0.00 N ATOM 1739 CA ASP B 3 8.000 -7.667 -7.258 1.00 0.00 C ATOM 1740 C ASP B 3 6.708 -7.406 -6.488 1.00 0.00 C ATOM 1741 O ASP B 3 6.726 -6.948 -5.363 1.00 0.00 O ATOM 1742 CB ASP B 3 7.961 -9.072 -7.863 1.00 0.00 C ATOM 1743 CG ASP B 3 7.422 -8.998 -9.293 1.00 0.00 C ATOM 1744 OD1 ASP B 3 7.965 -8.231 -10.071 1.00 0.00 O ATOM 1745 OD2 ASP B 3 6.475 -9.709 -9.585 1.00 0.00 O ATOM 0 H ASP B 3 8.919 -7.550 -5.336 1.00 0.00 H new ATOM 0 HA ASP B 3 8.103 -6.933 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP B 3 8.960 -9.508 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP B 3 7.329 -9.722 -7.258 1.00 0.00 H new HETATM 1750 N PTR B 4 5.583 -7.687 -7.083 1.00 0.00 N HETATM 1751 CA PTR B 4 4.293 -7.445 -6.378 1.00 0.00 C HETATM 1752 C PTR B 4 4.127 -8.453 -5.240 1.00 0.00 C HETATM 1753 O PTR B 4 4.888 -9.391 -5.114 1.00 0.00 O HETATM 1754 CB PTR B 4 3.134 -7.578 -7.361 1.00 0.00 C HETATM 1755 CG PTR B 4 2.615 -6.199 -7.682 1.00 0.00 C HETATM 1756 CD1 PTR B 4 3.476 -5.245 -8.233 1.00 0.00 C HETATM 1757 CD2 PTR B 4 1.279 -5.872 -7.422 1.00 0.00 C HETATM 1758 CE1 PTR B 4 3.003 -3.963 -8.527 1.00 0.00 C HETATM 1759 CE2 PTR B 4 0.805 -4.589 -7.716 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.669 -3.634 -8.270 1.00 0.00 C HETATM 1761 OH PTR B 4 1.185 -2.314 -8.576 1.00 0.00 O HETATM 1762 P PTR B 4 2.224 -1.069 -8.735 1.00 0.00 P HETATM 1763 O1P PTR B 4 1.365 0.182 -8.817 1.00 0.00 O HETATM 1764 O2P PTR B 4 3.102 -1.102 -7.494 1.00 0.00 O HETATM 1765 O3P PTR B 4 3.000 -1.337 -10.014 1.00 0.00 O HETATM 0 HE2 PTR B 4 -0.235 -4.332 -7.515 1.00 0.00 H new HETATM 0 HE1 PTR B 4 3.674 -3.220 -8.957 1.00 0.00 H new HETATM 0 HD2 PTR B 4 0.609 -6.616 -6.991 1.00 0.00 H new HETATM 0 HD1 PTR B 4 4.516 -5.501 -8.433 1.00 0.00 H new HETATM 0 HB3 PTR B 4 3.465 -8.079 -8.271 1.00 0.00 H new HETATM 0 HB2 PTR B 4 2.341 -8.190 -6.931 1.00 0.00 H new HETATM 0 HA PTR B 4 4.296 -6.437 -5.964 1.00 0.00 H new ATOM 1774 N ILE B 5 3.147 -8.255 -4.397 1.00 0.00 N ATOM 1775 CA ILE B 5 2.946 -9.186 -3.257 1.00 0.00 C ATOM 1776 C ILE B 5 1.461 -9.278 -2.907 1.00 0.00 C ATOM 1777 O ILE B 5 0.860 -8.314 -2.475 1.00 0.00 O ATOM 1778 CB ILE B 5 3.686 -8.632 -2.047 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.390 -7.135 -1.934 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.188 -8.849 -2.216 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.782 -6.829 -0.566 1.00 0.00 C ATOM 0 H ILE B 5 2.479 -7.487 -4.452 1.00 0.00 H new ATOM 0 HA ILE B 5 3.318 -10.174 -3.529 1.00 0.00 H new ATOM 0 HB ILE B 5 3.356 -9.145 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE B 5 4.307 -6.562 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE B 5 2.703 -6.830 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.713 -8.451 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.394 -9.916 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE B 5 5.531 -8.336 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.573 -5.762 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE B 5 1.855 -7.389 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE B 5 3.484 -7.117 0.217 1.00 0.00 H new ATOM 1793 N ILE B 6 0.865 -10.429 -3.055 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.570 -10.555 -2.688 1.00 0.00 C ATOM 1795 C ILE B 6 -0.690 -10.261 -1.191 1.00 0.00 C ATOM 1796 O ILE B 6 0.085 -10.765 -0.405 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.059 -11.975 -2.977 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -0.952 -12.254 -4.478 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.517 -12.111 -2.533 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.463 -13.666 -4.774 1.00 0.00 C ATOM 0 H ILE B 6 1.305 -11.278 -3.410 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.176 -9.859 -3.268 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.445 -12.691 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -1.534 -11.521 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.083 -12.155 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -2.867 -13.123 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.592 -11.911 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.132 -11.396 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.387 -13.864 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.862 -14.392 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.505 -13.749 -4.463 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.638 -9.437 -0.841 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.893 -9.007 0.557 1.00 0.00 C ATOM 1814 C PRO B 7 -2.572 -10.119 1.361 1.00 0.00 C ATOM 1815 O PRO B 7 -3.756 -10.366 1.241 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.787 -7.778 0.456 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.479 -7.868 -0.907 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.618 -8.803 -1.768 1.00 0.00 C ATOM 0 HA PRO B 7 -0.964 -8.781 1.080 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.518 -7.760 1.264 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.201 -6.862 0.536 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.492 -8.258 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.562 -6.883 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.233 -9.557 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.107 -8.247 -2.554 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.813 -10.779 2.188 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.361 -11.873 3.033 1.00 0.00 C ATOM 1828 C LEU B 8 -1.424 -12.063 4.230 1.00 0.00 C ATOM 1829 O LEU B 8 -0.342 -12.596 4.086 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.422 -13.167 2.219 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.811 -13.793 2.359 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.163 -14.543 1.074 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -3.811 -14.770 3.537 1.00 0.00 C ATOM 0 H LEU B 8 -0.817 -10.602 2.316 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.366 -11.623 3.374 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.209 -12.960 1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.660 -13.865 2.567 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.548 -13.010 2.536 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.152 -14.989 1.173 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.161 -13.848 0.235 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.427 -15.327 0.897 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -4.800 -15.217 3.639 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -3.075 -15.554 3.360 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.559 -14.236 4.453 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.858 -11.602 5.373 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.096 -11.666 6.648 1.00 0.00 C ATOM 1847 C PRO B 9 -1.100 -13.083 7.207 1.00 0.00 C ATOM 1848 O PRO B 9 -1.681 -13.984 6.638 1.00 0.00 O ATOM 1849 CB PRO B 9 -1.797 -10.700 7.599 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.225 -10.547 7.070 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.182 -10.952 5.591 1.00 0.00 C ATOM 0 HA PRO B 9 -0.050 -11.393 6.506 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.798 -11.088 8.618 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.285 -9.738 7.625 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.916 -11.180 7.627 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.573 -9.520 7.182 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.995 -11.637 5.352 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.298 -10.081 4.946 1.00 0.00 H new ATOM 1859 N ASP B 10 -0.421 -13.282 8.306 1.00 0.00 N ATOM 1860 CA ASP B 10 -0.339 -14.639 8.912 1.00 0.00 C ATOM 1861 C ASP B 10 -1.718 -15.309 8.902 1.00 0.00 C ATOM 1862 O ASP B 10 -2.574 -14.971 9.696 1.00 0.00 O ATOM 1863 CB ASP B 10 0.153 -14.521 10.356 1.00 0.00 C ATOM 1864 CG ASP B 10 0.480 -15.912 10.900 1.00 0.00 C ATOM 1865 OD1 ASP B 10 0.958 -16.731 10.132 1.00 0.00 O ATOM 1866 OD2 ASP B 10 0.249 -16.136 12.077 1.00 0.00 O ATOM 0 H ASP B 10 0.084 -12.555 8.812 1.00 0.00 H new ATOM 0 HA ASP B 10 0.356 -15.245 8.330 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.037 -13.885 10.399 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.610 -14.048 10.974 1.00 0.00 H new ATOM 1871 N PRO B 11 -1.887 -16.241 8.001 1.00 0.00 N ATOM 1872 CA PRO B 11 -3.140 -17.018 7.814 1.00 0.00 C ATOM 1873 C PRO B 11 -3.232 -18.128 8.863 1.00 0.00 C ATOM 1874 O PRO B 11 -2.779 -19.236 8.650 1.00 0.00 O ATOM 1875 CB PRO B 11 -3.047 -17.615 6.412 1.00 0.00 C ATOM 1876 CG PRO B 11 -1.555 -17.664 6.069 1.00 0.00 C ATOM 1877 CD PRO B 11 -0.857 -16.677 7.015 1.00 0.00 C ATOM 0 HA PRO B 11 -4.027 -16.394 7.926 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -3.486 -18.612 6.383 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -3.593 -17.005 5.692 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -1.160 -18.671 6.199 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -1.387 -17.388 5.028 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -0.014 -17.151 7.518 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -0.461 -15.824 6.464 1.00 0.00 H new ATOM 1885 N LYS B 12 -3.816 -17.843 9.994 1.00 0.00 N ATOM 1886 CA LYS B 12 -3.936 -18.883 11.055 1.00 0.00 C ATOM 1887 C LYS B 12 -5.153 -18.580 11.932 1.00 0.00 C ATOM 1888 O LYS B 12 -5.119 -17.582 12.633 1.00 0.00 O ATOM 1889 CB LYS B 12 -2.672 -18.880 11.917 1.00 0.00 C ATOM 1890 CG LYS B 12 -2.712 -20.062 12.888 1.00 0.00 C ATOM 1891 CD LYS B 12 -1.553 -21.012 12.585 1.00 0.00 C ATOM 1892 CE LYS B 12 -1.904 -22.419 13.074 1.00 0.00 C ATOM 1893 NZ LYS B 12 -1.712 -23.393 11.963 1.00 0.00 N ATOM 1894 OXT LYS B 12 -6.097 -19.351 11.886 1.00 0.00 O ATOM 0 H LYS B 12 -4.216 -16.935 10.230 1.00 0.00 H new ATOM 0 HA LYS B 12 -4.058 -19.862 10.592 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -1.787 -18.946 11.284 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -2.599 -17.944 12.470 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -2.644 -19.704 13.915 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -3.662 -20.589 12.796 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -1.352 -21.028 11.514 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -0.644 -20.662 13.075 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.274 -22.689 13.921 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -2.936 -22.447 13.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -1.950 -24.349 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -2.331 -23.138 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -0.720 -23.372 11.651 1.00 0.00 H new TER 1908 LYS B 12