USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 MET CE :methyl 151:sc= 0 (180deg=-0.462) USER MOD Set 1.2: A 115 GLN : amide:sc= -3.48! K(o=-3.5!,f=-0.34) USER MOD Set 2.1: A 102 THR OG1 : rot -72:sc= 1.22 USER MOD Set 2.2: A 104 SER OG : rot 65:sc= 0.973 USER MOD Set 3.1: A 89 ASN : amide:sc= -1.08 K(o=-2.5,f=-6.6) USER MOD Set 3.2: A 123 GLN : amide:sc= -1.38 K(o=-2.5,f=-6.6!) USER MOD Set 4.1: A 59 ASN : amide:sc= 0.908 K(o=3.4,f=-8.4!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 154:sc= 2.47 (180deg=0.824) USER MOD Set 5.1: A 54 THR OG1 : rot -70:sc= 0.51 USER MOD Set 5.2: A 56 THR OG1 : rot 180:sc= 0.0271 USER MOD Set 6.1: A 28 LYS NZ :NH3+ 179:sc= 0.846 (180deg=-0.271) USER MOD Set 6.2: A 32 SER OG : rot -127:sc= 0.932 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.374 USER MOD Single : A 9 GLN : amide:sc= 0.465 K(o=0.46,f=-0.48) USER MOD Single : A 11 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.12) USER MOD Single : A 15 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.019) USER MOD Single : A 16 HIS : no HD1:sc= 0.222 K(o=0.22,f=-0.9) USER MOD Single : A 17 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 59:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= -1.5! C(o=-1.5!,f=-2.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -2:sc= 1.11 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 161:sc= 0.739 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.0011) USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 67 SER OG : rot -3:sc= 0.378 USER MOD Single : A 71 HIS : no HE2:sc= 0.886 K(o=0.89,f=-6!) USER MOD Single : A 76 SER OG : rot -113:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc= 0.937 K(o=0.94,f=-2.4!) USER MOD Single : A 82 CYS SG : rot 150:sc= 0.258 USER MOD Single : A 85 THR OG1 : rot 85:sc= 0.305 USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 0.744 (180deg=-3.37!) USER MOD Single : A 90 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.89) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.502 K(o=-0.5,f=0) USER MOD Single : A 100 MET CE :methyl -149:sc= 0 (180deg=-0.639) USER MOD Single : A 106 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.00091) USER MOD Single : A 107 TYR OH : rot 13:sc= 1.07 USER MOD Single : A 108 SER OG : rot 130:sc= -0.0715 USER MOD Single : A 109 SER OG : rot -107:sc= 1.36 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -7.06! C(o=-7.1!,f=-6.9!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.04! X(o=-1!,f=-1.5) USER MOD Single : A 129 THR OG1 : rot -109:sc= -0.315 USER MOD Single : A 130 LYS NZ :NH3+ -164:sc= -0.0334 (180deg=-0.296) USER MOD Single : A 134 LYS NZ :NH3+ -133:sc= -0.648 (180deg=-2.18!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.146 8.460 2.464 1.00 0.00 N ATOM 2 CA PRO A 1 4.667 9.654 3.103 1.00 0.00 C ATOM 3 C PRO A 1 6.186 9.817 2.869 1.00 0.00 C ATOM 4 O PRO A 1 6.930 10.144 3.791 1.00 0.00 O ATOM 5 CB PRO A 1 4.373 9.530 4.589 1.00 0.00 C ATOM 6 CG PRO A 1 4.085 8.066 4.780 1.00 0.00 C ATOM 7 CD PRO A 1 4.224 7.382 3.420 1.00 0.00 C ATOM 0 H2 PRO A 1 4.686 8.237 1.628 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.181 8.605 2.166 1.00 0.00 H new ATOM 0 HA PRO A 1 4.191 10.537 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 1 5.222 9.852 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.522 10.146 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.779 7.631 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.081 7.923 5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 1 5.171 6.848 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.431 6.652 3.260 1.00 0.00 H new ATOM 17 N VAL A 2 6.658 9.620 1.653 1.00 0.00 N ATOM 18 CA VAL A 2 8.077 9.797 1.373 1.00 0.00 C ATOM 19 C VAL A 2 8.254 10.638 0.133 1.00 0.00 C ATOM 20 O VAL A 2 7.616 10.392 -0.880 1.00 0.00 O ATOM 21 CB VAL A 2 8.861 8.442 1.221 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.299 8.679 0.734 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.919 7.710 2.543 1.00 0.00 C ATOM 0 H VAL A 2 6.093 9.341 0.851 1.00 0.00 H new ATOM 0 HA VAL A 2 8.504 10.304 2.238 1.00 0.00 H new ATOM 0 HB VAL A 2 8.325 7.843 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.813 7.723 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.277 9.177 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.828 9.306 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.465 6.775 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.427 8.331 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.906 7.496 2.885 1.00 0.00 H new ATOM 33 N THR A 3 9.070 11.641 0.244 1.00 0.00 N ATOM 34 CA THR A 3 9.394 12.495 -0.855 1.00 0.00 C ATOM 35 C THR A 3 10.912 12.499 -1.017 1.00 0.00 C ATOM 36 O THR A 3 11.638 12.309 -0.009 1.00 0.00 O ATOM 37 CB THR A 3 8.798 13.931 -0.641 1.00 0.00 C ATOM 38 OG1 THR A 3 9.319 14.883 -1.573 1.00 0.00 O ATOM 39 CG2 THR A 3 8.976 14.422 0.797 1.00 0.00 C ATOM 0 H THR A 3 9.537 11.892 1.115 1.00 0.00 H new ATOM 0 HA THR A 3 8.946 12.126 -1.778 1.00 0.00 H new ATOM 0 HB THR A 3 7.728 13.842 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.918 15.761 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.548 15.420 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.469 13.740 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.038 14.457 1.041 1.00 0.00 H new ATOM 47 N GLU A 4 11.390 12.669 -2.251 1.00 0.00 N ATOM 48 CA GLU A 4 12.809 12.597 -2.583 1.00 0.00 C ATOM 49 C GLU A 4 13.237 13.748 -3.538 1.00 0.00 C ATOM 50 O GLU A 4 12.542 14.098 -4.472 1.00 0.00 O ATOM 51 CB GLU A 4 13.179 11.205 -3.175 1.00 0.00 C ATOM 52 CG GLU A 4 12.590 10.853 -4.568 1.00 0.00 C ATOM 53 CD GLU A 4 11.065 10.906 -4.653 1.00 0.00 C ATOM 54 OE1 GLU A 4 10.513 12.013 -4.840 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.406 9.865 -4.551 1.00 0.00 O ATOM 0 H GLU A 4 10.793 12.863 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 4 13.366 12.724 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.265 11.143 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.858 10.440 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.005 11.540 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.920 9.851 -4.844 1.00 0.00 H new ATOM 62 N THR A 5 14.288 14.391 -3.185 1.00 0.00 N ATOM 63 CA THR A 5 14.815 15.455 -4.018 1.00 0.00 C ATOM 64 C THR A 5 16.089 14.932 -4.708 1.00 0.00 C ATOM 65 O THR A 5 16.401 13.740 -4.603 1.00 0.00 O ATOM 66 CB THR A 5 15.089 16.808 -3.217 1.00 0.00 C ATOM 67 OG1 THR A 5 15.451 17.866 -4.111 1.00 0.00 O ATOM 68 CG2 THR A 5 16.182 16.670 -2.164 1.00 0.00 C ATOM 0 H THR A 5 14.814 14.214 -2.329 1.00 0.00 H new ATOM 0 HA THR A 5 14.063 15.722 -4.761 1.00 0.00 H new ATOM 0 HB THR A 5 14.154 17.041 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.970 17.757 -4.958 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.320 17.624 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.894 15.910 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.115 16.377 -2.645 1.00 0.00 H new ATOM 76 N VAL A 6 16.814 15.812 -5.341 1.00 0.00 N ATOM 77 CA VAL A 6 18.026 15.490 -6.058 1.00 0.00 C ATOM 78 C VAL A 6 18.990 16.591 -5.725 1.00 0.00 C ATOM 79 O VAL A 6 18.601 17.762 -5.689 1.00 0.00 O ATOM 80 CB VAL A 6 17.866 15.403 -7.630 1.00 0.00 C ATOM 81 CG1 VAL A 6 19.143 14.873 -8.282 1.00 0.00 C ATOM 82 CG2 VAL A 6 16.654 14.568 -8.045 1.00 0.00 C ATOM 0 H VAL A 6 16.575 16.803 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 6 18.354 14.496 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 6 17.692 16.418 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 6 19.006 14.823 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 6 19.973 15.541 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 6 19.361 13.877 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.588 14.539 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.762 13.554 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.747 15.016 -7.638 1.00 0.00 H new ATOM 92 N ASP A 7 20.204 16.239 -5.416 1.00 0.00 N ATOM 93 CA ASP A 7 21.233 17.260 -5.084 1.00 0.00 C ATOM 94 C ASP A 7 21.821 17.842 -6.416 1.00 0.00 C ATOM 95 O ASP A 7 21.286 17.551 -7.495 1.00 0.00 O ATOM 96 CB ASP A 7 22.326 16.619 -4.179 1.00 0.00 C ATOM 97 CG ASP A 7 23.390 17.584 -3.687 1.00 0.00 C ATOM 98 OD1 ASP A 7 23.158 18.297 -2.715 1.00 0.00 O ATOM 99 OD2 ASP A 7 24.483 17.638 -4.283 1.00 0.00 O ATOM 0 H ASP A 7 20.532 15.274 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 7 20.795 18.087 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 7 21.842 16.163 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.812 15.816 -4.733 1.00 0.00 H new ATOM 104 N GLY A 8 22.892 18.627 -6.360 1.00 0.00 N ATOM 105 CA GLY A 8 23.507 19.188 -7.555 1.00 0.00 C ATOM 106 C GLY A 8 24.435 18.184 -8.162 1.00 0.00 C ATOM 107 O GLY A 8 25.629 18.413 -8.321 1.00 0.00 O ATOM 0 H GLY A 8 23.355 18.890 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.738 19.468 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 8 24.053 20.097 -7.302 1.00 0.00 H new ATOM 111 N GLN A 9 23.851 17.081 -8.464 1.00 0.00 N ATOM 112 CA GLN A 9 24.452 15.893 -8.951 1.00 0.00 C ATOM 113 C GLN A 9 23.251 15.016 -9.355 1.00 0.00 C ATOM 114 O GLN A 9 22.300 15.550 -9.937 1.00 0.00 O ATOM 115 CB GLN A 9 25.315 15.276 -7.820 1.00 0.00 C ATOM 116 CG GLN A 9 24.590 14.989 -6.527 1.00 0.00 C ATOM 117 CD GLN A 9 25.540 14.487 -5.482 1.00 0.00 C ATOM 118 OE1 GLN A 9 25.802 13.299 -5.401 1.00 0.00 O ATOM 119 NE2 GLN A 9 25.994 15.356 -4.635 1.00 0.00 N ATOM 0 H GLN A 9 22.841 16.979 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 9 25.127 16.028 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 9 25.750 14.346 -8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 9 26.143 15.953 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 9 24.098 15.895 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 9 23.809 14.249 -6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 9 25.752 16.342 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.593 15.054 -3.867 1.00 0.00 H new ATOM 128 N GLY A 10 23.227 13.746 -9.026 1.00 0.00 N ATOM 129 CA GLY A 10 22.091 12.947 -9.402 1.00 0.00 C ATOM 130 C GLY A 10 21.751 11.934 -8.365 1.00 0.00 C ATOM 131 O GLY A 10 21.591 10.755 -8.656 1.00 0.00 O ATOM 0 H GLY A 10 23.960 13.257 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.231 13.596 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.299 12.443 -10.346 1.00 0.00 H new ATOM 135 N GLN A 11 21.665 12.383 -7.147 1.00 0.00 N ATOM 136 CA GLN A 11 21.262 11.520 -6.061 1.00 0.00 C ATOM 137 C GLN A 11 19.876 11.889 -5.600 1.00 0.00 C ATOM 138 O GLN A 11 19.554 13.081 -5.507 1.00 0.00 O ATOM 139 CB GLN A 11 22.221 11.571 -4.865 1.00 0.00 C ATOM 140 CG GLN A 11 22.419 12.966 -4.264 1.00 0.00 C ATOM 141 CD GLN A 11 22.846 12.958 -2.813 1.00 0.00 C ATOM 142 OE1 GLN A 11 23.578 13.844 -2.369 1.00 0.00 O ATOM 143 NE2 GLN A 11 22.350 12.015 -2.047 1.00 0.00 N ATOM 0 H GLN A 11 21.868 13.345 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 11 21.280 10.502 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 11 21.847 10.905 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 11 23.191 11.183 -5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 11 23.168 13.499 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 11 21.487 13.525 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 11 21.747 11.297 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 11 22.567 12.000 -1.051 1.00 0.00 H new ATOM 152 N ALA A 12 19.077 10.884 -5.331 1.00 0.00 N ATOM 153 CA ALA A 12 17.746 11.043 -4.828 1.00 0.00 C ATOM 154 C ALA A 12 17.744 10.798 -3.329 1.00 0.00 C ATOM 155 O ALA A 12 18.143 9.737 -2.851 1.00 0.00 O ATOM 156 CB ALA A 12 16.804 10.104 -5.532 1.00 0.00 C ATOM 0 H ALA A 12 19.348 9.909 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 12 17.403 12.060 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.796 10.237 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.808 10.319 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 12 17.125 9.075 -5.367 1.00 0.00 H new ATOM 162 N TRP A 13 17.350 11.796 -2.619 1.00 0.00 N ATOM 163 CA TRP A 13 17.376 11.803 -1.173 1.00 0.00 C ATOM 164 C TRP A 13 16.410 12.806 -0.674 1.00 0.00 C ATOM 165 O TRP A 13 16.190 13.792 -1.326 1.00 0.00 O ATOM 166 CB TRP A 13 18.786 12.227 -0.694 1.00 0.00 C ATOM 167 CG TRP A 13 19.213 13.586 -1.211 1.00 0.00 C ATOM 168 CD1 TRP A 13 19.392 13.925 -2.509 1.00 0.00 C ATOM 169 CD2 TRP A 13 19.502 14.771 -0.453 1.00 0.00 C ATOM 170 NE1 TRP A 13 19.783 15.206 -2.622 1.00 0.00 N ATOM 171 CE2 TRP A 13 19.866 15.760 -1.382 1.00 0.00 C ATOM 172 CE3 TRP A 13 19.496 15.095 0.911 1.00 0.00 C ATOM 173 CZ2 TRP A 13 20.219 17.038 -1.010 1.00 0.00 C ATOM 174 CZ3 TRP A 13 19.850 16.378 1.282 1.00 0.00 C ATOM 175 CH2 TRP A 13 20.209 17.337 0.322 1.00 0.00 C ATOM 0 H TRP A 13 16.989 12.659 -3.025 1.00 0.00 H new ATOM 0 HA TRP A 13 17.125 10.809 -0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.803 12.239 0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.511 11.480 -1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.241 13.255 -3.343 1.00 0.00 H new ATOM 0 HE1 TRP A 13 19.985 15.687 -3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.222 14.360 1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 20.494 17.778 -1.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.850 16.647 2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 13 20.483 18.331 0.643 1.00 0.00 H new ATOM 186 N ARG A 14 15.814 12.536 0.430 1.00 0.00 N ATOM 187 CA ARG A 14 15.032 13.495 1.138 1.00 0.00 C ATOM 188 C ARG A 14 14.581 12.877 2.448 1.00 0.00 C ATOM 189 O ARG A 14 15.422 12.416 3.210 1.00 0.00 O ATOM 190 CB ARG A 14 13.884 14.135 0.327 1.00 0.00 C ATOM 191 CG ARG A 14 13.430 15.492 0.829 1.00 0.00 C ATOM 192 CD ARG A 14 12.244 16.035 0.032 1.00 0.00 C ATOM 193 NE ARG A 14 12.477 16.139 -1.428 1.00 0.00 N ATOM 194 CZ ARG A 14 11.726 16.931 -2.253 1.00 0.00 C ATOM 195 NH1 ARG A 14 10.869 17.804 -1.740 1.00 0.00 N ATOM 196 NH2 ARG A 14 11.833 16.835 -3.568 1.00 0.00 N ATOM 0 H ARG A 14 15.854 11.622 0.881 1.00 0.00 H new ATOM 0 HA ARG A 14 15.668 14.356 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.203 14.235 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.031 13.457 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.154 15.415 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.260 16.196 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.382 15.390 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.986 17.022 0.417 1.00 0.00 H new ATOM 0 HE ARG A 14 13.235 15.593 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.769 17.886 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.310 18.393 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.482 16.164 -3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.267 17.432 -4.171 1.00 0.00 H new ATOM 210 N HIS A 15 13.293 12.826 2.718 1.00 0.00 N ATOM 211 CA HIS A 15 12.835 12.450 4.051 1.00 0.00 C ATOM 212 C HIS A 15 11.521 11.698 3.980 1.00 0.00 C ATOM 213 O HIS A 15 10.812 11.742 2.950 1.00 0.00 O ATOM 214 CB HIS A 15 12.602 13.736 4.916 1.00 0.00 C ATOM 215 CG HIS A 15 13.843 14.528 5.319 1.00 0.00 C ATOM 216 ND1 HIS A 15 14.285 14.644 6.617 1.00 0.00 N ATOM 217 CD2 HIS A 15 14.697 15.272 4.582 1.00 0.00 C ATOM 218 CE1 HIS A 15 15.352 15.418 6.652 1.00 0.00 C ATOM 219 NE2 HIS A 15 15.618 15.807 5.432 1.00 0.00 N ATOM 0 H HIS A 15 12.552 13.035 2.049 1.00 0.00 H new ATOM 0 HA HIS A 15 13.600 11.815 4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.939 14.402 4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 15 12.076 13.444 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 15 14.657 15.417 3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.911 15.685 7.537 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.391 16.414 5.160 1.00 0.00 H new ATOM 228 N HIS A 16 11.182 11.047 5.074 1.00 0.00 N ATOM 229 CA HIS A 16 9.879 10.465 5.251 1.00 0.00 C ATOM 230 C HIS A 16 9.186 11.656 5.798 1.00 0.00 C ATOM 231 O HIS A 16 9.616 12.159 6.835 1.00 0.00 O ATOM 232 CB HIS A 16 9.865 9.350 6.335 1.00 0.00 C ATOM 233 CG HIS A 16 10.807 8.182 6.151 1.00 0.00 C ATOM 234 ND1 HIS A 16 11.024 7.246 7.138 1.00 0.00 N ATOM 235 CD2 HIS A 16 11.580 7.799 5.110 1.00 0.00 C ATOM 236 CE1 HIS A 16 11.881 6.348 6.720 1.00 0.00 C ATOM 237 NE2 HIS A 16 12.238 6.652 5.491 1.00 0.00 N ATOM 0 H HIS A 16 11.810 10.909 5.866 1.00 0.00 H new ATOM 0 HA HIS A 16 9.471 9.998 4.355 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.088 9.813 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.851 8.956 6.399 1.00 0.00 H new ATOM 0 HD2 HIS A 16 11.665 8.300 4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.235 5.501 7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.894 6.125 4.915 1.00 0.00 H new ATOM 246 N ASN A 17 8.171 12.131 5.186 1.00 0.00 N ATOM 247 CA ASN A 17 7.741 13.462 5.466 1.00 0.00 C ATOM 248 C ASN A 17 6.416 13.713 4.838 1.00 0.00 C ATOM 249 O ASN A 17 6.042 13.034 3.876 1.00 0.00 O ATOM 250 CB ASN A 17 8.817 14.365 4.807 1.00 0.00 C ATOM 251 CG ASN A 17 8.519 15.826 4.700 1.00 0.00 C ATOM 252 OD1 ASN A 17 7.861 16.430 5.538 1.00 0.00 O ATOM 253 ND2 ASN A 17 9.000 16.390 3.638 1.00 0.00 N ATOM 0 H ASN A 17 7.619 11.630 4.490 1.00 0.00 H new ATOM 0 HA ASN A 17 7.634 13.649 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.743 14.251 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.006 13.986 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.837 17.383 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.542 15.842 2.970 1.00 0.00 H new ATOM 260 N GLY A 18 5.728 14.691 5.360 1.00 0.00 N ATOM 261 CA GLY A 18 4.453 15.046 4.880 1.00 0.00 C ATOM 262 C GLY A 18 3.425 14.088 5.336 1.00 0.00 C ATOM 263 O GLY A 18 3.676 13.240 6.222 1.00 0.00 O ATOM 0 H GLY A 18 6.055 15.261 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.198 16.048 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.467 15.077 3.791 1.00 0.00 H new ATOM 267 N PHE A 19 2.286 14.218 4.784 1.00 0.00 N ATOM 268 CA PHE A 19 1.222 13.364 5.074 1.00 0.00 C ATOM 269 C PHE A 19 0.550 13.006 3.801 1.00 0.00 C ATOM 270 O PHE A 19 0.606 13.753 2.819 1.00 0.00 O ATOM 271 CB PHE A 19 0.202 14.028 6.024 1.00 0.00 C ATOM 272 CG PHE A 19 0.735 14.370 7.383 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.752 13.415 8.386 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.215 15.638 7.659 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.240 13.714 9.644 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.706 15.947 8.917 1.00 0.00 C ATOM 277 CZ PHE A 19 1.717 14.980 9.911 1.00 0.00 C ATOM 0 H PHE A 19 2.067 14.942 4.100 1.00 0.00 H new ATOM 0 HA PHE A 19 1.611 12.477 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.169 14.939 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.651 13.360 6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.379 12.422 8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.207 16.393 6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.248 12.958 10.416 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.080 16.939 9.123 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.099 15.218 10.893 1.00 0.00 H new ATOM 287 N ASP A 20 -0.070 11.881 3.815 1.00 0.00 N ATOM 288 CA ASP A 20 -0.883 11.462 2.740 1.00 0.00 C ATOM 289 C ASP A 20 -2.301 11.776 3.176 1.00 0.00 C ATOM 290 O ASP A 20 -3.186 10.932 3.168 1.00 0.00 O ATOM 291 CB ASP A 20 -0.659 9.975 2.370 1.00 0.00 C ATOM 292 CG ASP A 20 0.692 9.734 1.680 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.843 10.096 0.472 1.00 0.00 O ATOM 294 OD2 ASP A 20 1.613 9.193 2.312 1.00 0.00 O ATOM 0 H ASP A 20 -0.023 11.218 4.588 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.638 11.983 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.715 9.368 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.463 9.643 1.713 1.00 0.00 H new ATOM 299 N PHE A 21 -2.498 13.019 3.620 1.00 0.00 N ATOM 300 CA PHE A 21 -3.764 13.417 4.178 1.00 0.00 C ATOM 301 C PHE A 21 -4.766 13.602 3.102 1.00 0.00 C ATOM 302 O PHE A 21 -5.874 13.162 3.246 1.00 0.00 O ATOM 303 CB PHE A 21 -3.697 14.664 5.046 1.00 0.00 C ATOM 304 CG PHE A 21 -4.968 14.823 5.831 1.00 0.00 C ATOM 305 CD1 PHE A 21 -5.358 13.810 6.701 1.00 0.00 C ATOM 306 CD2 PHE A 21 -5.786 15.930 5.681 1.00 0.00 C ATOM 307 CE1 PHE A 21 -6.532 13.893 7.404 1.00 0.00 C ATOM 308 CE2 PHE A 21 -6.966 16.026 6.392 1.00 0.00 C ATOM 309 CZ PHE A 21 -7.343 15.007 7.254 1.00 0.00 C ATOM 0 H PHE A 21 -1.792 13.755 3.598 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.065 12.604 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.848 14.597 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.536 15.542 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.725 12.944 6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.500 16.722 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.823 13.095 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.596 16.896 6.277 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.267 15.081 7.808 1.00 0.00 H new ATOM 319 N ALA A 22 -4.350 14.238 2.002 1.00 0.00 N ATOM 320 CA ALA A 22 -5.184 14.408 0.803 1.00 0.00 C ATOM 321 C ALA A 22 -5.709 13.042 0.381 1.00 0.00 C ATOM 322 O ALA A 22 -6.846 12.886 -0.045 1.00 0.00 O ATOM 323 CB ALA A 22 -4.342 15.004 -0.323 1.00 0.00 C ATOM 0 H ALA A 22 -3.422 14.652 1.916 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.017 15.078 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.960 15.130 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.952 15.973 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.512 14.335 -0.550 1.00 0.00 H new ATOM 329 N VAL A 23 -4.870 12.064 0.597 1.00 0.00 N ATOM 330 CA VAL A 23 -5.142 10.682 0.337 1.00 0.00 C ATOM 331 C VAL A 23 -6.255 10.143 1.260 1.00 0.00 C ATOM 332 O VAL A 23 -7.270 9.674 0.781 1.00 0.00 O ATOM 333 CB VAL A 23 -3.830 9.895 0.503 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.031 8.404 0.681 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.910 10.183 -0.663 1.00 0.00 C ATOM 0 H VAL A 23 -3.936 12.220 0.977 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.511 10.562 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.371 10.239 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.062 7.917 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.633 8.222 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.543 7.999 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.982 9.624 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.395 9.883 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.689 11.250 -0.697 1.00 0.00 H new ATOM 345 N ILE A 24 -6.065 10.255 2.572 1.00 0.00 N ATOM 346 CA ILE A 24 -7.068 9.783 3.553 1.00 0.00 C ATOM 347 C ILE A 24 -8.383 10.548 3.352 1.00 0.00 C ATOM 348 O ILE A 24 -9.480 10.002 3.450 1.00 0.00 O ATOM 349 CB ILE A 24 -6.587 10.040 5.010 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.152 9.517 5.220 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.548 9.385 6.016 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.619 9.714 6.614 1.00 0.00 C ATOM 0 H ILE A 24 -5.231 10.666 2.991 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.209 8.713 3.398 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.583 11.117 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.127 8.454 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.488 10.018 4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.197 9.574 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.546 9.806 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.583 8.310 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.605 9.319 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.609 10.777 6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.257 9.189 7.325 1.00 0.00 H new ATOM 364 N LYS A 25 -8.227 11.790 3.014 1.00 0.00 N ATOM 365 CA LYS A 25 -9.291 12.732 2.822 1.00 0.00 C ATOM 366 C LYS A 25 -10.131 12.337 1.622 1.00 0.00 C ATOM 367 O LYS A 25 -11.319 12.041 1.750 1.00 0.00 O ATOM 368 CB LYS A 25 -8.652 14.107 2.599 1.00 0.00 C ATOM 369 CG LYS A 25 -9.599 15.281 2.512 1.00 0.00 C ATOM 370 CD LYS A 25 -8.865 16.546 2.075 1.00 0.00 C ATOM 371 CE LYS A 25 -8.577 16.514 0.585 1.00 0.00 C ATOM 372 NZ LYS A 25 -7.963 17.760 0.097 1.00 0.00 N ATOM 0 H LYS A 25 -7.306 12.198 2.856 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.947 12.754 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.950 14.294 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.070 14.068 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.397 15.057 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.069 15.446 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.467 17.422 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.931 16.640 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.914 15.677 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.506 16.335 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.788 17.684 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.605 18.558 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.062 17.920 0.591 1.00 0.00 H new ATOM 386 N GLU A 26 -9.508 12.271 0.474 1.00 0.00 N ATOM 387 CA GLU A 26 -10.237 12.004 -0.730 1.00 0.00 C ATOM 388 C GLU A 26 -10.597 10.556 -0.896 1.00 0.00 C ATOM 389 O GLU A 26 -11.616 10.260 -1.492 1.00 0.00 O ATOM 390 CB GLU A 26 -9.559 12.558 -1.979 1.00 0.00 C ATOM 391 CG GLU A 26 -9.388 14.056 -1.924 1.00 0.00 C ATOM 392 CD GLU A 26 -8.972 14.651 -3.240 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.853 14.903 -4.094 1.00 0.00 O ATOM 394 OE2 GLU A 26 -7.779 14.915 -3.442 1.00 0.00 O ATOM 0 H GLU A 26 -8.503 12.398 0.351 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.174 12.549 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.583 12.088 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.149 12.294 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.326 14.511 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.642 14.303 -1.168 1.00 0.00 H new ATOM 401 N LEU A 27 -9.774 9.650 -0.405 1.00 0.00 N ATOM 402 CA LEU A 27 -10.109 8.237 -0.530 1.00 0.00 C ATOM 403 C LEU A 27 -11.330 7.911 0.310 1.00 0.00 C ATOM 404 O LEU A 27 -12.140 7.103 -0.084 1.00 0.00 O ATOM 405 CB LEU A 27 -8.910 7.301 -0.243 1.00 0.00 C ATOM 406 CG LEU A 27 -9.063 5.852 -0.663 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.531 5.803 -2.083 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.727 5.124 -0.523 1.00 0.00 C ATOM 0 H LEU A 27 -8.895 9.852 0.070 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.362 8.047 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.032 7.710 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.707 7.326 0.828 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.794 5.359 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.644 4.764 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.491 6.313 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.800 6.296 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.846 4.084 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.983 5.605 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.398 5.163 0.515 1.00 0.00 H new ATOM 420 N LYS A 28 -11.491 8.611 1.427 1.00 0.00 N ATOM 421 CA LYS A 28 -12.687 8.464 2.242 1.00 0.00 C ATOM 422 C LYS A 28 -13.859 9.162 1.548 1.00 0.00 C ATOM 423 O LYS A 28 -15.013 8.709 1.626 1.00 0.00 O ATOM 424 CB LYS A 28 -12.482 9.040 3.657 1.00 0.00 C ATOM 425 CG LYS A 28 -13.736 9.000 4.550 1.00 0.00 C ATOM 426 CD LYS A 28 -14.266 7.579 4.698 1.00 0.00 C ATOM 427 CE LYS A 28 -15.545 7.526 5.512 1.00 0.00 C ATOM 428 NZ LYS A 28 -16.617 8.402 4.967 1.00 0.00 N ATOM 0 H LYS A 28 -10.812 9.282 1.786 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.903 7.401 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.683 8.485 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.146 10.073 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.498 9.406 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.510 9.636 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.448 7.156 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.508 6.958 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.905 6.498 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.328 7.822 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.471 8.312 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.295 9.391 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.836 8.117 3.991 1.00 0.00 H new ATOM 442 N THR A 29 -13.551 10.246 0.844 1.00 0.00 N ATOM 443 CA THR A 29 -14.544 10.970 0.113 1.00 0.00 C ATOM 444 C THR A 29 -15.122 10.058 -0.981 1.00 0.00 C ATOM 445 O THR A 29 -16.335 9.812 -1.029 1.00 0.00 O ATOM 446 CB THR A 29 -13.945 12.256 -0.501 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.419 13.099 0.548 1.00 0.00 O ATOM 448 CG2 THR A 29 -14.993 13.036 -1.265 1.00 0.00 C ATOM 0 H THR A 29 -12.610 10.632 0.774 1.00 0.00 H new ATOM 0 HA THR A 29 -15.343 11.273 0.790 1.00 0.00 H new ATOM 0 HB THR A 29 -13.151 11.960 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.729 12.611 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.543 13.935 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.391 12.419 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.801 13.317 -0.590 1.00 0.00 H new ATOM 456 N ALA A 30 -14.251 9.515 -1.844 1.00 0.00 N ATOM 457 CA ALA A 30 -14.625 8.616 -2.873 1.00 0.00 C ATOM 458 C ALA A 30 -15.231 7.365 -2.322 1.00 0.00 C ATOM 459 O ALA A 30 -16.167 6.895 -2.858 1.00 0.00 O ATOM 460 CB ALA A 30 -13.446 8.297 -3.735 1.00 0.00 C ATOM 0 H ALA A 30 -13.251 9.712 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.386 9.104 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.747 7.605 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.065 9.214 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.665 7.839 -3.128 1.00 0.00 H new ATOM 466 N ALA A 31 -14.694 6.846 -1.248 1.00 0.00 N ATOM 467 CA ALA A 31 -15.247 5.679 -0.570 1.00 0.00 C ATOM 468 C ALA A 31 -16.747 5.818 -0.289 1.00 0.00 C ATOM 469 O ALA A 31 -17.492 4.858 -0.391 1.00 0.00 O ATOM 470 CB ALA A 31 -14.534 5.489 0.727 1.00 0.00 C ATOM 0 H ALA A 31 -13.852 7.218 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.110 4.822 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.941 4.618 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.471 5.336 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.669 6.374 1.349 1.00 0.00 H new ATOM 476 N SER A 32 -17.170 7.002 0.055 1.00 0.00 N ATOM 477 CA SER A 32 -18.545 7.243 0.356 1.00 0.00 C ATOM 478 C SER A 32 -19.420 7.488 -0.893 1.00 0.00 C ATOM 479 O SER A 32 -20.532 6.960 -0.964 1.00 0.00 O ATOM 480 CB SER A 32 -18.655 8.338 1.403 1.00 0.00 C ATOM 481 OG SER A 32 -17.994 7.905 2.604 1.00 0.00 O ATOM 0 H SER A 32 -16.569 7.823 0.133 1.00 0.00 H new ATOM 0 HA SER A 32 -18.961 6.329 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.202 9.258 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.702 8.559 1.608 1.00 0.00 H new ATOM 0 HG SER A 32 -18.605 7.995 3.365 1.00 0.00 H new ATOM 487 N GLN A 33 -18.926 8.250 -1.893 1.00 0.00 N ATOM 488 CA GLN A 33 -19.713 8.560 -3.106 1.00 0.00 C ATOM 489 C GLN A 33 -19.617 7.427 -4.127 1.00 0.00 C ATOM 490 O GLN A 33 -20.615 6.924 -4.657 1.00 0.00 O ATOM 491 CB GLN A 33 -19.139 9.799 -3.809 1.00 0.00 C ATOM 492 CG GLN A 33 -18.704 10.927 -2.915 1.00 0.00 C ATOM 493 CD GLN A 33 -18.338 12.184 -3.690 1.00 0.00 C ATOM 494 OE1 GLN A 33 -17.485 12.954 -3.276 1.00 0.00 O ATOM 495 NE2 GLN A 33 -18.992 12.420 -4.790 1.00 0.00 N ATOM 0 H GLN A 33 -17.992 8.659 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 33 -20.742 8.713 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.284 9.487 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.891 10.180 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.505 11.158 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.846 10.607 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.700 11.761 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.797 13.264 -5.328 1.00 0.00 H new ATOM 504 N TYR A 34 -18.401 7.065 -4.377 1.00 0.00 N ATOM 505 CA TYR A 34 -17.991 6.150 -5.403 1.00 0.00 C ATOM 506 C TYR A 34 -17.905 4.747 -4.844 1.00 0.00 C ATOM 507 O TYR A 34 -18.459 3.811 -5.403 1.00 0.00 O ATOM 508 CB TYR A 34 -16.608 6.656 -5.903 1.00 0.00 C ATOM 509 CG TYR A 34 -16.686 7.928 -6.719 1.00 0.00 C ATOM 510 CD1 TYR A 34 -16.965 7.887 -8.080 1.00 0.00 C ATOM 511 CD2 TYR A 34 -16.500 9.171 -6.127 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.048 9.049 -8.823 1.00 0.00 C ATOM 513 CE2 TYR A 34 -16.581 10.332 -6.854 1.00 0.00 C ATOM 514 CZ TYR A 34 -16.852 10.268 -8.205 1.00 0.00 C ATOM 515 OH TYR A 34 -16.930 11.421 -8.940 1.00 0.00 O ATOM 0 H TYR A 34 -17.613 7.422 -3.837 1.00 0.00 H new ATOM 0 HA TYR A 34 -18.704 6.111 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.960 6.825 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.141 5.876 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.119 6.934 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.287 9.225 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.265 9.004 -9.880 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.434 11.288 -6.373 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.769 12.192 -8.357 1.00 0.00 H new ATOM 525 N GLY A 35 -17.294 4.635 -3.701 1.00 0.00 N ATOM 526 CA GLY A 35 -17.086 3.370 -3.093 1.00 0.00 C ATOM 527 C GLY A 35 -16.164 2.494 -3.876 1.00 0.00 C ATOM 528 O GLY A 35 -15.288 2.958 -4.633 1.00 0.00 O ATOM 0 H GLY A 35 -16.928 5.425 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.678 3.516 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.046 2.866 -2.976 1.00 0.00 H new ATOM 532 N ALA A 36 -16.344 1.251 -3.690 1.00 0.00 N ATOM 533 CA ALA A 36 -15.569 0.266 -4.328 1.00 0.00 C ATOM 534 C ALA A 36 -16.132 -0.104 -5.657 1.00 0.00 C ATOM 535 O ALA A 36 -17.324 0.046 -5.923 1.00 0.00 O ATOM 536 CB ALA A 36 -15.464 -0.895 -3.447 1.00 0.00 C ATOM 0 H ALA A 36 -17.059 0.875 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.573 0.664 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.865 -1.666 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.989 -0.600 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.460 -1.286 -3.240 1.00 0.00 H new ATOM 542 N THR A 37 -15.235 -0.544 -6.492 1.00 0.00 N ATOM 543 CA THR A 37 -15.457 -0.890 -7.867 1.00 0.00 C ATOM 544 C THR A 37 -15.782 0.349 -8.730 1.00 0.00 C ATOM 545 O THR A 37 -16.086 0.246 -9.922 1.00 0.00 O ATOM 546 CB THR A 37 -16.397 -2.105 -8.105 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.743 -1.901 -7.638 1.00 0.00 O ATOM 548 CG2 THR A 37 -15.821 -3.361 -7.470 1.00 0.00 C ATOM 0 H THR A 37 -14.264 -0.680 -6.211 1.00 0.00 H new ATOM 0 HA THR A 37 -14.500 -1.269 -8.224 1.00 0.00 H new ATOM 0 HB THR A 37 -16.455 -2.223 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.814 -1.018 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.494 -4.200 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.847 -3.577 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.708 -3.207 -6.397 1.00 0.00 H new ATOM 556 N ALA A 38 -15.643 1.531 -8.123 1.00 0.00 N ATOM 557 CA ALA A 38 -15.748 2.759 -8.826 1.00 0.00 C ATOM 558 C ALA A 38 -14.327 3.207 -9.102 1.00 0.00 C ATOM 559 O ALA A 38 -13.525 3.311 -8.160 1.00 0.00 O ATOM 560 CB ALA A 38 -16.492 3.782 -7.999 1.00 0.00 C ATOM 0 H ALA A 38 -15.454 1.636 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.308 2.644 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.563 4.717 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.494 3.414 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.957 3.954 -7.065 1.00 0.00 H new ATOM 566 N PRO A 39 -13.997 3.445 -10.387 1.00 0.00 N ATOM 567 CA PRO A 39 -12.628 3.738 -10.862 1.00 0.00 C ATOM 568 C PRO A 39 -11.836 4.723 -10.016 1.00 0.00 C ATOM 569 O PRO A 39 -10.668 4.478 -9.727 1.00 0.00 O ATOM 570 CB PRO A 39 -12.866 4.305 -12.258 1.00 0.00 C ATOM 571 CG PRO A 39 -14.089 3.622 -12.725 1.00 0.00 C ATOM 572 CD PRO A 39 -14.956 3.444 -11.517 1.00 0.00 C ATOM 0 HA PRO A 39 -12.013 2.839 -10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.000 5.386 -12.231 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.022 4.105 -12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.598 4.213 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.849 2.660 -13.177 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.683 4.251 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.519 2.512 -11.563 1.00 0.00 H new ATOM 580 N TYR A 40 -12.488 5.794 -9.609 1.00 0.00 N ATOM 581 CA TYR A 40 -11.865 6.891 -8.874 1.00 0.00 C ATOM 582 C TYR A 40 -11.127 6.408 -7.628 1.00 0.00 C ATOM 583 O TYR A 40 -9.885 6.476 -7.562 1.00 0.00 O ATOM 584 CB TYR A 40 -12.936 7.901 -8.476 1.00 0.00 C ATOM 585 CG TYR A 40 -12.389 9.230 -8.040 1.00 0.00 C ATOM 586 CD1 TYR A 40 -11.943 10.158 -8.969 1.00 0.00 C ATOM 587 CD2 TYR A 40 -12.316 9.552 -6.715 1.00 0.00 C ATOM 588 CE1 TYR A 40 -11.441 11.373 -8.572 1.00 0.00 C ATOM 589 CE2 TYR A 40 -11.819 10.769 -6.298 1.00 0.00 C ATOM 590 CZ TYR A 40 -11.380 11.680 -7.240 1.00 0.00 C ATOM 591 OH TYR A 40 -10.895 12.909 -6.850 1.00 0.00 O ATOM 0 H TYR A 40 -13.484 5.934 -9.780 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.127 7.354 -9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.607 8.055 -9.321 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.533 7.482 -7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.991 9.921 -10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.655 8.839 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.096 12.084 -9.308 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.773 11.008 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.917 12.974 -5.872 1.00 0.00 H new ATOM 601 N THR A 41 -11.898 5.926 -6.653 1.00 0.00 N ATOM 602 CA THR A 41 -11.464 5.457 -5.365 1.00 0.00 C ATOM 603 C THR A 41 -10.288 4.501 -5.479 1.00 0.00 C ATOM 604 O THR A 41 -9.234 4.677 -4.875 1.00 0.00 O ATOM 605 CB THR A 41 -12.643 4.663 -4.788 1.00 0.00 C ATOM 606 OG1 THR A 41 -13.866 5.304 -5.143 1.00 0.00 O ATOM 607 CG2 THR A 41 -12.575 4.534 -3.291 1.00 0.00 C ATOM 0 H THR A 41 -12.909 5.854 -6.764 1.00 0.00 H new ATOM 0 HA THR A 41 -11.158 6.304 -4.751 1.00 0.00 H new ATOM 0 HB THR A 41 -12.593 3.659 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.606 4.668 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.433 3.964 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.656 4.019 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.587 5.526 -2.839 1.00 0.00 H new ATOM 615 N LEU A 42 -10.448 3.550 -6.322 1.00 0.00 N ATOM 616 CA LEU A 42 -9.526 2.442 -6.380 1.00 0.00 C ATOM 617 C LEU A 42 -8.271 2.826 -7.068 1.00 0.00 C ATOM 618 O LEU A 42 -7.198 2.262 -6.791 1.00 0.00 O ATOM 619 CB LEU A 42 -10.186 1.291 -7.067 1.00 0.00 C ATOM 620 CG LEU A 42 -11.643 1.177 -6.733 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.321 0.170 -7.606 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.741 0.809 -5.292 1.00 0.00 C ATOM 0 H LEU A 42 -11.213 3.503 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.258 2.147 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.072 1.403 -8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.680 0.367 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.151 2.124 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.376 0.110 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.226 0.471 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.855 -0.805 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.790 0.717 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.235 -0.142 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.270 1.583 -4.686 1.00 0.00 H new ATOM 634 N ALA A 43 -8.365 3.824 -7.920 1.00 0.00 N ATOM 635 CA ALA A 43 -7.211 4.255 -8.611 1.00 0.00 C ATOM 636 C ALA A 43 -6.320 5.046 -7.672 1.00 0.00 C ATOM 637 O ALA A 43 -5.097 5.083 -7.824 1.00 0.00 O ATOM 638 CB ALA A 43 -7.512 5.003 -9.901 1.00 0.00 C ATOM 0 H ALA A 43 -9.222 4.333 -8.136 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.674 3.365 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.577 5.302 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.070 4.354 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.105 5.890 -9.677 1.00 0.00 H new ATOM 644 N ILE A 44 -6.942 5.650 -6.690 1.00 0.00 N ATOM 645 CA ILE A 44 -6.236 6.358 -5.650 1.00 0.00 C ATOM 646 C ILE A 44 -5.421 5.340 -4.854 1.00 0.00 C ATOM 647 O ILE A 44 -4.251 5.564 -4.587 1.00 0.00 O ATOM 648 CB ILE A 44 -7.227 7.078 -4.712 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.065 8.083 -5.492 1.00 0.00 C ATOM 650 CG2 ILE A 44 -6.504 7.762 -3.546 1.00 0.00 C ATOM 651 CD1 ILE A 44 -9.260 8.584 -4.732 1.00 0.00 C ATOM 0 H ILE A 44 -7.957 5.665 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.584 7.110 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.891 6.325 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.438 8.931 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.402 7.621 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.234 8.259 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.962 7.015 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.802 8.499 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.810 9.296 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.908 7.745 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.929 9.075 -3.817 1.00 0.00 H new ATOM 663 N VAL A 45 -6.056 4.194 -4.535 1.00 0.00 N ATOM 664 CA VAL A 45 -5.402 3.083 -3.797 1.00 0.00 C ATOM 665 C VAL A 45 -4.050 2.709 -4.461 1.00 0.00 C ATOM 666 O VAL A 45 -2.953 2.780 -3.832 1.00 0.00 O ATOM 667 CB VAL A 45 -6.321 1.813 -3.774 1.00 0.00 C ATOM 668 CG1 VAL A 45 -5.692 0.666 -3.008 1.00 0.00 C ATOM 669 CG2 VAL A 45 -7.683 2.130 -3.182 1.00 0.00 C ATOM 0 H VAL A 45 -7.029 4.009 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.228 3.423 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.444 1.504 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.365 -0.191 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.746 0.391 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.512 0.972 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.297 1.230 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.561 2.489 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.170 2.900 -3.781 1.00 0.00 H new ATOM 679 N GLU A 46 -4.124 2.383 -5.737 1.00 0.00 N ATOM 680 CA GLU A 46 -2.944 1.995 -6.503 1.00 0.00 C ATOM 681 C GLU A 46 -1.929 3.162 -6.695 1.00 0.00 C ATOM 682 O GLU A 46 -0.734 2.928 -6.930 1.00 0.00 O ATOM 683 CB GLU A 46 -3.324 1.315 -7.831 1.00 0.00 C ATOM 684 CG GLU A 46 -4.336 2.067 -8.674 1.00 0.00 C ATOM 685 CD GLU A 46 -4.572 1.411 -10.018 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.853 1.749 -10.978 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.449 0.537 -10.137 1.00 0.00 O ATOM 0 H GLU A 46 -4.992 2.378 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.419 1.251 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.418 1.173 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.721 0.324 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.280 2.129 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.989 3.089 -8.828 1.00 0.00 H new ATOM 694 N SER A 47 -2.395 4.398 -6.549 1.00 0.00 N ATOM 695 CA SER A 47 -1.532 5.566 -6.652 1.00 0.00 C ATOM 696 C SER A 47 -0.760 5.741 -5.354 1.00 0.00 C ATOM 697 O SER A 47 0.425 6.070 -5.367 1.00 0.00 O ATOM 698 CB SER A 47 -2.365 6.825 -6.930 1.00 0.00 C ATOM 699 OG SER A 47 -1.546 7.966 -7.151 1.00 0.00 O ATOM 0 H SER A 47 -3.373 4.616 -6.358 1.00 0.00 H new ATOM 0 HA SER A 47 -0.835 5.418 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.996 6.657 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.030 7.013 -6.087 1.00 0.00 H new ATOM 0 HG SER A 47 -2.112 8.746 -7.326 1.00 0.00 H new ATOM 705 N VAL A 48 -1.425 5.480 -4.234 1.00 0.00 N ATOM 706 CA VAL A 48 -0.809 5.650 -2.925 1.00 0.00 C ATOM 707 C VAL A 48 0.326 4.654 -2.742 1.00 0.00 C ATOM 708 O VAL A 48 1.340 4.951 -2.133 1.00 0.00 O ATOM 709 CB VAL A 48 -1.823 5.514 -1.755 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.150 5.797 -0.416 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.001 6.438 -1.952 1.00 0.00 C ATOM 0 H VAL A 48 -2.390 5.150 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.419 6.667 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.187 4.487 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.880 5.695 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.338 5.087 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.750 6.811 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.696 6.324 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.651 7.470 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.507 6.188 -2.885 1.00 0.00 H new ATOM 721 N ALA A 49 0.181 3.488 -3.325 1.00 0.00 N ATOM 722 CA ALA A 49 1.226 2.492 -3.203 1.00 0.00 C ATOM 723 C ALA A 49 2.313 2.677 -4.243 1.00 0.00 C ATOM 724 O ALA A 49 3.199 1.857 -4.370 1.00 0.00 O ATOM 725 CB ALA A 49 0.648 1.090 -3.208 1.00 0.00 C ATOM 0 H ALA A 49 -0.629 3.206 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 49 1.708 2.636 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.455 0.363 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.040 0.977 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.113 0.920 -4.142 1.00 0.00 H new ATOM 731 N ASP A 50 2.275 3.788 -4.941 1.00 0.00 N ATOM 732 CA ASP A 50 3.277 4.062 -5.960 1.00 0.00 C ATOM 733 C ASP A 50 4.461 4.794 -5.334 1.00 0.00 C ATOM 734 O ASP A 50 5.469 5.078 -5.995 1.00 0.00 O ATOM 735 CB ASP A 50 2.681 4.868 -7.125 1.00 0.00 C ATOM 736 CG ASP A 50 3.555 4.847 -8.354 1.00 0.00 C ATOM 737 OD1 ASP A 50 3.720 3.753 -8.957 1.00 0.00 O ATOM 738 OD2 ASP A 50 4.025 5.914 -8.779 1.00 0.00 O ATOM 0 H ASP A 50 1.569 4.516 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 50 3.626 3.114 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.699 4.466 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.531 5.900 -6.808 1.00 0.00 H new ATOM 743 N ASN A 51 4.348 5.071 -4.039 1.00 0.00 N ATOM 744 CA ASN A 51 5.406 5.749 -3.294 1.00 0.00 C ATOM 745 C ASN A 51 5.786 4.926 -2.089 1.00 0.00 C ATOM 746 O ASN A 51 5.164 3.907 -1.815 1.00 0.00 O ATOM 747 CB ASN A 51 5.022 7.199 -2.898 1.00 0.00 C ATOM 748 CG ASN A 51 3.901 7.323 -1.892 1.00 0.00 C ATOM 749 OD1 ASN A 51 4.117 7.316 -0.676 1.00 0.00 O ATOM 750 ND2 ASN A 51 2.710 7.506 -2.395 1.00 0.00 N ATOM 0 H ASN A 51 3.529 4.835 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 51 6.272 5.840 -3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.906 7.693 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.739 7.741 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.912 7.651 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.578 7.504 -3.406 1.00 0.00 H new ATOM 757 N TRP A 52 6.810 5.333 -1.385 1.00 0.00 N ATOM 758 CA TRP A 52 7.258 4.569 -0.254 1.00 0.00 C ATOM 759 C TRP A 52 6.412 4.837 0.951 1.00 0.00 C ATOM 760 O TRP A 52 6.376 5.961 1.469 1.00 0.00 O ATOM 761 CB TRP A 52 8.724 4.825 0.074 1.00 0.00 C ATOM 762 CG TRP A 52 9.678 4.393 -0.981 1.00 0.00 C ATOM 763 CD1 TRP A 52 10.179 3.142 -1.156 1.00 0.00 C ATOM 764 CD2 TRP A 52 10.262 5.207 -1.998 1.00 0.00 C ATOM 765 NE1 TRP A 52 11.051 3.123 -2.199 1.00 0.00 N ATOM 766 CE2 TRP A 52 11.120 4.384 -2.745 1.00 0.00 C ATOM 767 CE3 TRP A 52 10.146 6.553 -2.347 1.00 0.00 C ATOM 768 CZ2 TRP A 52 11.863 4.866 -3.822 1.00 0.00 C ATOM 769 CZ3 TRP A 52 10.875 7.025 -3.415 1.00 0.00 C ATOM 770 CH2 TRP A 52 11.722 6.190 -4.139 1.00 0.00 C ATOM 0 H TRP A 52 7.344 6.181 -1.573 1.00 0.00 H new ATOM 0 HA TRP A 52 7.157 3.520 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.861 5.891 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.971 4.309 1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.921 2.284 -0.552 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.570 2.307 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.497 7.212 -1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.523 4.221 -4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.788 8.064 -3.697 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.280 6.596 -4.969 1.00 0.00 H new ATOM 781 N LEU A 53 5.731 3.819 1.386 1.00 0.00 N ATOM 782 CA LEU A 53 4.951 3.865 2.567 1.00 0.00 C ATOM 783 C LEU A 53 5.077 2.539 3.269 1.00 0.00 C ATOM 784 O LEU A 53 5.453 1.543 2.650 1.00 0.00 O ATOM 785 CB LEU A 53 3.469 4.221 2.276 1.00 0.00 C ATOM 786 CG LEU A 53 2.538 3.161 1.644 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.158 3.739 1.508 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.998 2.723 0.272 1.00 0.00 C ATOM 0 H LEU A 53 5.708 2.916 0.912 1.00 0.00 H new ATOM 0 HA LEU A 53 5.324 4.660 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.017 4.531 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.466 5.091 1.619 1.00 0.00 H new ATOM 0 HG LEU A 53 2.551 2.291 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.495 2.997 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.782 4.018 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.195 4.622 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.307 1.978 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.024 3.584 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.996 2.290 0.344 1.00 0.00 H new ATOM 800 N THR A 54 4.794 2.524 4.521 1.00 0.00 N ATOM 801 CA THR A 54 4.947 1.323 5.304 1.00 0.00 C ATOM 802 C THR A 54 3.623 0.564 5.380 1.00 0.00 C ATOM 803 O THR A 54 2.559 1.116 5.034 1.00 0.00 O ATOM 804 CB THR A 54 5.396 1.674 6.741 1.00 0.00 C ATOM 805 OG1 THR A 54 4.395 2.471 7.377 1.00 0.00 O ATOM 806 CG2 THR A 54 6.701 2.434 6.724 1.00 0.00 C ATOM 0 H THR A 54 4.451 3.331 5.042 1.00 0.00 H new ATOM 0 HA THR A 54 5.701 0.701 4.822 1.00 0.00 H new ATOM 0 HB THR A 54 5.537 0.745 7.293 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.380 3.363 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.998 2.670 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.472 1.823 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.577 3.358 6.159 1.00 0.00 H new ATOM 814 N PRO A 55 3.642 -0.702 5.849 1.00 0.00 N ATOM 815 CA PRO A 55 2.415 -1.465 6.090 1.00 0.00 C ATOM 816 C PRO A 55 1.569 -0.779 7.154 1.00 0.00 C ATOM 817 O PRO A 55 0.345 -0.940 7.206 1.00 0.00 O ATOM 818 CB PRO A 55 2.906 -2.814 6.597 1.00 0.00 C ATOM 819 CG PRO A 55 4.312 -2.909 6.130 1.00 0.00 C ATOM 820 CD PRO A 55 4.847 -1.513 6.115 1.00 0.00 C ATOM 0 HA PRO A 55 1.794 -1.553 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.846 -2.873 7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.302 -3.629 6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.900 -3.543 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.362 -3.355 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.311 -1.248 7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.604 -1.378 5.342 1.00 0.00 H new ATOM 828 N THR A 56 2.245 0.000 7.979 1.00 0.00 N ATOM 829 CA THR A 56 1.644 0.801 8.991 1.00 0.00 C ATOM 830 C THR A 56 0.781 1.898 8.320 1.00 0.00 C ATOM 831 O THR A 56 -0.388 2.105 8.683 1.00 0.00 O ATOM 832 CB THR A 56 2.763 1.456 9.807 1.00 0.00 C ATOM 833 OG1 THR A 56 3.791 0.467 10.052 1.00 0.00 O ATOM 834 CG2 THR A 56 2.236 1.955 11.133 1.00 0.00 C ATOM 0 H THR A 56 3.261 0.084 7.949 1.00 0.00 H new ATOM 0 HA THR A 56 1.013 0.193 9.639 1.00 0.00 H new ATOM 0 HB THR A 56 3.163 2.303 9.250 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.516 0.871 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.047 2.416 11.696 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.451 2.691 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.830 1.118 11.701 1.00 0.00 H new ATOM 842 N ASP A 57 1.348 2.539 7.284 1.00 0.00 N ATOM 843 CA ASP A 57 0.654 3.580 6.518 1.00 0.00 C ATOM 844 C ASP A 57 -0.490 2.947 5.769 1.00 0.00 C ATOM 845 O ASP A 57 -1.621 3.459 5.776 1.00 0.00 O ATOM 846 CB ASP A 57 1.592 4.304 5.525 1.00 0.00 C ATOM 847 CG ASP A 57 2.740 5.044 6.191 1.00 0.00 C ATOM 848 OD1 ASP A 57 2.491 6.004 6.944 1.00 0.00 O ATOM 849 OD2 ASP A 57 3.921 4.649 5.994 1.00 0.00 O ATOM 0 H ASP A 57 2.296 2.349 6.958 1.00 0.00 H new ATOM 0 HA ASP A 57 0.290 4.331 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.000 3.573 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.007 5.013 4.939 1.00 0.00 H new ATOM 854 N TRP A 58 -0.199 1.798 5.161 1.00 0.00 N ATOM 855 CA TRP A 58 -1.198 1.001 4.476 1.00 0.00 C ATOM 856 C TRP A 58 -2.392 0.714 5.386 1.00 0.00 C ATOM 857 O TRP A 58 -3.518 1.107 5.081 1.00 0.00 O ATOM 858 CB TRP A 58 -0.616 -0.330 3.974 1.00 0.00 C ATOM 859 CG TRP A 58 -0.018 -0.341 2.593 1.00 0.00 C ATOM 860 CD1 TRP A 58 -0.182 0.581 1.608 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.764 -1.394 2.025 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.499 0.196 0.472 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.080 -1.017 0.703 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.245 -2.613 2.513 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.844 -1.813 -0.133 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.999 -3.410 1.675 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.291 -3.006 0.368 1.00 0.00 C ATOM 0 H TRP A 58 0.739 1.399 5.133 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.530 1.585 3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.153 -0.650 4.678 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.408 -1.078 4.005 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.763 1.487 1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.558 0.729 -0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.031 -2.925 3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.078 -1.505 -1.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.369 -4.359 2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.884 -3.652 -0.262 1.00 0.00 H new ATOM 878 N ASN A 59 -2.154 0.055 6.504 1.00 0.00 N ATOM 879 CA ASN A 59 -3.243 -0.309 7.419 1.00 0.00 C ATOM 880 C ASN A 59 -4.016 0.895 7.909 1.00 0.00 C ATOM 881 O ASN A 59 -5.191 0.804 8.161 1.00 0.00 O ATOM 882 CB ASN A 59 -2.800 -1.210 8.583 1.00 0.00 C ATOM 883 CG ASN A 59 -2.489 -2.629 8.128 1.00 0.00 C ATOM 884 OD1 ASN A 59 -3.063 -3.118 7.129 1.00 0.00 O ATOM 885 ND2 ASN A 59 -1.615 -3.316 8.844 1.00 0.00 N ATOM 0 H ASN A 59 -1.227 -0.242 6.808 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.924 -0.910 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.917 -0.781 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.585 -1.237 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.389 -4.277 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.166 -2.885 9.652 1.00 0.00 H new ATOM 892 N THR A 60 -3.344 2.022 7.944 1.00 0.00 N ATOM 893 CA THR A 60 -3.995 3.262 8.339 1.00 0.00 C ATOM 894 C THR A 60 -4.999 3.734 7.249 1.00 0.00 C ATOM 895 O THR A 60 -6.038 4.356 7.568 1.00 0.00 O ATOM 896 CB THR A 60 -2.956 4.367 8.677 1.00 0.00 C ATOM 897 OG1 THR A 60 -2.084 3.891 9.725 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.628 5.659 9.144 1.00 0.00 C ATOM 0 H THR A 60 -2.356 2.112 7.707 1.00 0.00 H new ATOM 0 HA THR A 60 -4.562 3.066 9.249 1.00 0.00 H new ATOM 0 HB THR A 60 -2.394 4.586 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.407 3.295 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.866 6.405 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.281 6.035 8.356 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.217 5.460 10.039 1.00 0.00 H new ATOM 906 N LEU A 61 -4.724 3.392 5.977 1.00 0.00 N ATOM 907 CA LEU A 61 -5.632 3.746 4.886 1.00 0.00 C ATOM 908 C LEU A 61 -6.866 2.953 5.011 1.00 0.00 C ATOM 909 O LEU A 61 -7.914 3.501 5.240 1.00 0.00 O ATOM 910 CB LEU A 61 -5.057 3.459 3.498 1.00 0.00 C ATOM 911 CG LEU A 61 -3.784 4.140 3.141 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.384 3.778 1.715 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.907 5.640 3.334 1.00 0.00 C ATOM 0 H LEU A 61 -3.891 2.878 5.688 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.807 4.818 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.902 2.384 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.808 3.734 2.757 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.993 3.796 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.451 4.280 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.248 2.699 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.167 4.095 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.965 6.120 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.703 6.025 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.141 5.855 4.377 1.00 0.00 H new ATOM 925 N VAL A 62 -6.703 1.633 4.957 1.00 0.00 N ATOM 926 CA VAL A 62 -7.826 0.691 4.934 1.00 0.00 C ATOM 927 C VAL A 62 -8.695 0.883 6.177 1.00 0.00 C ATOM 928 O VAL A 62 -9.903 0.717 6.149 1.00 0.00 O ATOM 929 CB VAL A 62 -7.300 -0.784 4.828 1.00 0.00 C ATOM 930 CG1 VAL A 62 -6.581 -1.253 6.076 1.00 0.00 C ATOM 931 CG2 VAL A 62 -8.388 -1.742 4.465 1.00 0.00 C ATOM 0 H VAL A 62 -5.788 1.183 4.928 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.441 0.889 4.056 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.568 -0.770 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.243 -2.280 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.721 -0.610 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.261 -1.207 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.979 -2.750 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.167 -1.713 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.812 -1.462 3.501 1.00 0.00 H new ATOM 941 N ARG A 63 -8.036 1.328 7.214 1.00 0.00 N ATOM 942 CA ARG A 63 -8.632 1.580 8.510 1.00 0.00 C ATOM 943 C ARG A 63 -9.638 2.739 8.424 1.00 0.00 C ATOM 944 O ARG A 63 -10.779 2.632 8.860 1.00 0.00 O ATOM 945 CB ARG A 63 -7.549 2.009 9.487 1.00 0.00 C ATOM 946 CG ARG A 63 -7.851 1.708 10.918 1.00 0.00 C ATOM 947 CD ARG A 63 -7.671 0.230 11.184 1.00 0.00 C ATOM 948 NE ARG A 63 -8.101 -0.146 12.523 1.00 0.00 N ATOM 949 CZ ARG A 63 -7.548 -1.107 13.263 1.00 0.00 C ATOM 950 NH1 ARG A 63 -6.450 -1.746 12.842 1.00 0.00 N ATOM 951 NH2 ARG A 63 -8.083 -1.412 14.438 1.00 0.00 N ATOM 0 H ARG A 63 -7.037 1.533 7.184 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.129 0.667 8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.616 1.516 9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.386 3.082 9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.192 2.286 11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.872 2.007 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.238 -0.341 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.622 -0.035 11.054 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.886 0.365 12.926 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.028 -1.499 11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.035 -2.480 13.416 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.909 -0.913 14.767 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.668 -2.146 15.012 1.00 0.00 H new ATOM 965 N ALA A 64 -9.186 3.824 7.855 1.00 0.00 N ATOM 966 CA ALA A 64 -9.929 5.080 7.840 1.00 0.00 C ATOM 967 C ALA A 64 -10.755 5.306 6.569 1.00 0.00 C ATOM 968 O ALA A 64 -11.949 5.617 6.639 1.00 0.00 O ATOM 969 CB ALA A 64 -8.932 6.202 7.997 1.00 0.00 C ATOM 0 H ALA A 64 -8.284 3.874 7.381 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.650 5.045 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.456 7.158 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.400 6.087 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.219 6.173 7.173 1.00 0.00 H new ATOM 975 N VAL A 65 -10.100 5.187 5.450 1.00 0.00 N ATOM 976 CA VAL A 65 -10.708 5.525 4.156 1.00 0.00 C ATOM 977 C VAL A 65 -11.928 4.673 3.836 1.00 0.00 C ATOM 978 O VAL A 65 -12.893 5.168 3.293 1.00 0.00 O ATOM 979 CB VAL A 65 -9.703 5.517 2.971 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.520 6.432 3.264 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.237 4.112 2.624 1.00 0.00 C ATOM 0 H VAL A 65 -9.137 4.858 5.388 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.044 6.555 4.275 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.228 5.901 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.828 6.413 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.877 7.451 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.008 6.088 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.536 4.157 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.744 3.668 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.096 3.503 2.344 1.00 0.00 H new ATOM 991 N LEU A 66 -11.893 3.417 4.211 1.00 0.00 N ATOM 992 CA LEU A 66 -13.037 2.543 4.024 1.00 0.00 C ATOM 993 C LEU A 66 -13.428 1.943 5.368 1.00 0.00 C ATOM 994 O LEU A 66 -12.683 2.045 6.354 1.00 0.00 O ATOM 995 CB LEU A 66 -12.812 1.409 2.987 1.00 0.00 C ATOM 996 CG LEU A 66 -13.016 1.685 1.467 1.00 0.00 C ATOM 997 CD1 LEU A 66 -14.439 2.035 1.120 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.067 2.712 0.940 1.00 0.00 C ATOM 0 H LEU A 66 -11.086 2.972 4.648 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.837 3.161 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.791 1.051 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.475 0.587 3.258 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.789 0.742 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.518 2.216 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.095 1.210 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.736 2.933 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.252 2.867 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.213 3.651 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.043 2.369 1.084 1.00 0.00 H new ATOM 1010 N SER A 67 -14.591 1.373 5.425 1.00 0.00 N ATOM 1011 CA SER A 67 -15.080 0.730 6.613 1.00 0.00 C ATOM 1012 C SER A 67 -16.068 -0.369 6.208 1.00 0.00 C ATOM 1013 O SER A 67 -16.835 -0.198 5.247 1.00 0.00 O ATOM 1014 CB SER A 67 -15.724 1.754 7.560 1.00 0.00 C ATOM 1015 OG SER A 67 -14.783 2.772 7.951 1.00 0.00 O ATOM 0 H SER A 67 -15.240 1.339 4.639 1.00 0.00 H new ATOM 0 HA SER A 67 -14.252 0.276 7.157 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.580 2.217 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.101 1.245 8.447 1.00 0.00 H new ATOM 0 HG SER A 67 -13.904 2.569 7.568 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.976 -1.514 6.858 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.861 -2.614 6.591 1.00 0.00 C ATOM 1023 C GLY A 68 -16.377 -3.463 5.441 1.00 0.00 C ATOM 1024 O GLY A 68 -15.832 -4.568 5.637 1.00 0.00 O ATOM 0 H GLY A 68 -15.284 -1.700 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.951 -3.232 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.857 -2.232 6.366 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.556 -2.948 4.253 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.209 -3.665 3.060 1.00 0.00 C ATOM 1030 C GLY A 69 -14.716 -3.892 2.891 1.00 0.00 C ATOM 1031 O GLY A 69 -14.309 -4.976 2.473 1.00 0.00 O ATOM 0 H GLY A 69 -16.946 -2.020 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.715 -4.630 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.583 -3.116 2.196 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.912 -2.877 3.250 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.445 -2.858 3.068 1.00 0.00 C ATOM 1037 C ASP A 70 -11.819 -4.155 3.473 1.00 0.00 C ATOM 1038 O ASP A 70 -11.169 -4.830 2.666 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.823 -1.704 3.886 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.084 -1.787 5.388 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.245 -1.691 5.794 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.147 -2.017 6.175 1.00 0.00 O ATOM 0 H ASP A 70 -14.269 -2.026 3.685 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.248 -2.705 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.746 -1.693 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.214 -0.758 3.513 1.00 0.00 H new ATOM 1047 N HIS A 71 -12.120 -4.527 4.676 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.620 -5.665 5.319 1.00 0.00 C ATOM 1049 C HIS A 71 -11.911 -6.914 4.531 1.00 0.00 C ATOM 1050 O HIS A 71 -10.986 -7.617 4.130 1.00 0.00 O ATOM 1051 CB HIS A 71 -12.203 -5.720 6.717 1.00 0.00 C ATOM 1052 CG HIS A 71 -11.272 -5.233 7.793 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.816 -3.935 7.876 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.697 -5.885 8.827 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -10.015 -3.812 8.902 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -9.922 -4.983 9.502 1.00 0.00 N ATOM 0 H HIS A 71 -12.766 -3.997 5.261 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.534 -5.604 5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -13.114 -5.122 6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.490 -6.748 6.939 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -11.066 -3.183 7.233 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.826 -6.928 9.075 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.514 -2.905 9.207 1.00 0.00 H new ATOM 1065 N LEU A 72 -13.167 -7.120 4.219 1.00 0.00 N ATOM 1066 CA LEU A 72 -13.562 -8.319 3.528 1.00 0.00 C ATOM 1067 C LEU A 72 -12.859 -8.536 2.185 1.00 0.00 C ATOM 1068 O LEU A 72 -12.139 -9.494 2.053 1.00 0.00 O ATOM 1069 CB LEU A 72 -15.102 -8.615 3.571 1.00 0.00 C ATOM 1070 CG LEU A 72 -16.095 -7.471 3.257 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -16.243 -7.235 1.765 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -17.449 -7.716 3.913 1.00 0.00 C ATOM 0 H LEU A 72 -13.929 -6.476 4.432 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.159 -9.135 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.301 -9.425 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -15.337 -8.991 4.567 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.675 -6.561 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.950 -6.423 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.275 -6.969 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.611 -8.143 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.124 -6.894 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.869 -8.651 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.324 -7.778 4.994 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.941 -7.625 1.237 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.258 -7.901 -0.029 1.00 0.00 C ATOM 1086 C LEU A 73 -10.801 -7.468 -0.086 1.00 0.00 C ATOM 1087 O LEU A 73 -9.927 -8.332 -0.314 1.00 0.00 O ATOM 1088 CB LEU A 73 -13.033 -7.509 -1.282 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.990 -8.580 -1.893 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.281 -9.891 -2.199 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -15.214 -8.821 -1.042 1.00 0.00 C ATOM 0 H LEU A 73 -13.439 -6.737 1.299 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.233 -8.991 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.623 -6.622 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.313 -7.223 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.327 -8.159 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.993 -10.600 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.479 -9.712 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.863 -10.302 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.843 -9.575 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.908 -9.171 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.775 -7.892 -0.940 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.517 -6.153 0.119 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.162 -5.642 0.122 1.00 0.00 C ATOM 1105 C TRP A 74 -8.275 -6.497 1.042 1.00 0.00 C ATOM 1106 O TRP A 74 -7.167 -6.878 0.728 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.118 -4.202 0.688 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.653 -2.992 -0.114 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.494 -2.917 -1.217 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.263 -1.647 0.163 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.693 -1.569 -1.568 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -9.963 -0.784 -0.702 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.401 -1.118 1.097 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -9.831 0.601 -0.641 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.241 0.282 1.177 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -8.978 1.130 0.312 1.00 0.00 C ATOM 0 H TRP A 74 -11.229 -5.442 0.283 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.808 -5.665 -0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.661 -4.218 1.633 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.075 -3.988 0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.929 -3.764 -1.727 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.277 -1.231 -2.332 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.852 -1.768 1.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.377 1.243 -1.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.557 0.707 1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.873 2.201 0.398 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.780 -6.782 2.159 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.992 -7.394 3.175 1.00 0.00 C ATOM 1129 C LYS A 75 -7.893 -8.883 3.162 1.00 0.00 C ATOM 1130 O LYS A 75 -6.805 -9.395 3.474 1.00 0.00 O ATOM 1131 CB LYS A 75 -8.208 -6.777 4.518 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.972 -5.287 4.465 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.507 -4.956 4.206 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.709 -5.062 5.514 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.268 -4.789 5.365 1.00 0.00 N ATOM 0 H LYS A 75 -9.751 -6.606 2.416 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.970 -7.143 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.225 -6.977 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.535 -7.231 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.588 -4.849 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.286 -4.835 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.096 -5.639 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.419 -3.950 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.127 -4.364 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.837 -6.063 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.884 -4.448 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.776 -5.662 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.126 -4.064 4.633 1.00 0.00 H new ATOM 1149 N SER A 76 -8.963 -9.615 2.808 1.00 0.00 N ATOM 1150 CA SER A 76 -8.806 -11.064 2.742 1.00 0.00 C ATOM 1151 C SER A 76 -7.765 -11.392 1.693 1.00 0.00 C ATOM 1152 O SER A 76 -6.867 -12.226 1.914 1.00 0.00 O ATOM 1153 CB SER A 76 -10.110 -11.787 2.430 1.00 0.00 C ATOM 1154 OG SER A 76 -10.654 -11.357 1.205 1.00 0.00 O ATOM 0 H SER A 76 -9.887 -9.251 2.578 1.00 0.00 H new ATOM 0 HA SER A 76 -8.488 -11.412 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.932 -12.862 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.827 -11.609 3.231 1.00 0.00 H new ATOM 0 HG SER A 76 -11.489 -10.872 1.370 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.833 -10.656 0.593 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.916 -10.829 -0.473 1.00 0.00 C ATOM 1162 C GLU A 77 -5.555 -10.294 -0.142 1.00 0.00 C ATOM 1163 O GLU A 77 -4.607 -10.706 -0.764 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.407 -10.209 -1.765 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.597 -10.870 -2.375 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.351 -12.323 -2.711 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -7.577 -12.594 -3.661 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -8.943 -13.215 -2.058 1.00 0.00 O ATOM 0 H GLU A 77 -8.531 -9.930 0.435 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.839 -11.906 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.649 -9.163 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.592 -10.224 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.439 -10.798 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.879 -10.335 -3.282 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.434 -9.349 0.798 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.120 -8.875 1.189 1.00 0.00 C ATOM 1177 C PHE A 78 -3.352 -10.028 1.779 1.00 0.00 C ATOM 1178 O PHE A 78 -2.231 -10.300 1.392 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.230 -7.707 2.200 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.907 -7.219 2.735 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.053 -6.477 1.940 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.531 -7.504 4.035 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.844 -6.026 2.425 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.323 -7.058 4.537 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.474 -6.317 3.730 1.00 0.00 C ATOM 0 H PHE A 78 -6.215 -8.912 1.287 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.593 -8.493 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.743 -6.874 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.852 -8.025 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.337 -6.247 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.190 -8.082 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.187 -5.448 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.042 -7.286 5.554 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.472 -5.967 4.116 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.996 -10.740 2.664 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.391 -11.877 3.279 1.00 0.00 C ATOM 1197 C PHE A 79 -3.137 -12.986 2.265 1.00 0.00 C ATOM 1198 O PHE A 79 -2.012 -13.448 2.122 1.00 0.00 O ATOM 1199 CB PHE A 79 -4.240 -12.354 4.447 1.00 0.00 C ATOM 1200 CG PHE A 79 -4.235 -11.383 5.591 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.094 -11.204 6.356 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -5.346 -10.613 5.867 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.069 -10.281 7.380 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -5.332 -9.687 6.874 1.00 0.00 C ATOM 1205 CZ PHE A 79 -4.198 -9.516 7.636 1.00 0.00 C ATOM 0 H PHE A 79 -4.948 -10.545 2.974 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.417 -11.585 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.265 -12.508 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.870 -13.319 4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.214 -11.794 6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.242 -10.743 5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.178 -10.155 7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.210 -9.090 7.071 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.187 -8.787 8.433 1.00 0.00 H new ATOM 1215 N GLU A 80 -4.158 -13.348 1.532 1.00 0.00 N ATOM 1216 CA GLU A 80 -4.062 -14.430 0.576 1.00 0.00 C ATOM 1217 C GLU A 80 -3.106 -14.143 -0.591 1.00 0.00 C ATOM 1218 O GLU A 80 -2.137 -14.865 -0.775 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.440 -14.796 0.060 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.350 -15.368 1.129 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.820 -16.667 1.684 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -6.117 -17.742 1.112 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -5.094 -16.647 2.693 1.00 0.00 O ATOM 0 H GLU A 80 -5.076 -12.906 1.577 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.632 -15.276 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.907 -13.909 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.337 -15.522 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.459 -14.645 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.343 -15.530 0.711 1.00 0.00 H new ATOM 1230 N ASN A 81 -3.325 -13.067 -1.330 1.00 0.00 N ATOM 1231 CA ASN A 81 -2.560 -12.865 -2.561 1.00 0.00 C ATOM 1232 C ASN A 81 -1.149 -12.381 -2.291 1.00 0.00 C ATOM 1233 O ASN A 81 -0.218 -12.787 -2.986 1.00 0.00 O ATOM 1234 CB ASN A 81 -3.298 -11.998 -3.632 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.870 -10.531 -3.730 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.951 -10.193 -4.461 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.548 -9.666 -3.038 1.00 0.00 N ATOM 0 H ASN A 81 -4.004 -12.337 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.474 -13.854 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.153 -12.463 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.367 -12.029 -3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.319 -8.674 -3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.310 -9.979 -2.436 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.956 -11.585 -1.246 1.00 0.00 N ATOM 1245 CA CYS A 82 0.390 -11.121 -0.957 1.00 0.00 C ATOM 1246 C CYS A 82 1.240 -12.281 -0.443 1.00 0.00 C ATOM 1247 O CYS A 82 2.364 -12.455 -0.866 1.00 0.00 O ATOM 1248 CB CYS A 82 0.396 -9.947 0.022 1.00 0.00 C ATOM 1249 SG CYS A 82 -0.601 -8.537 -0.513 1.00 0.00 S ATOM 0 H CYS A 82 -1.683 -11.259 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 82 0.826 -10.750 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.029 -10.292 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.424 -9.616 0.170 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.068 -7.915 0.529 1.00 0.00 H new ATOM 1255 N ARG A 83 0.678 -13.123 0.408 1.00 0.00 N ATOM 1256 CA ARG A 83 1.431 -14.273 0.901 1.00 0.00 C ATOM 1257 C ARG A 83 1.584 -15.332 -0.191 1.00 0.00 C ATOM 1258 O ARG A 83 2.551 -16.102 -0.198 1.00 0.00 O ATOM 1259 CB ARG A 83 0.812 -14.843 2.192 1.00 0.00 C ATOM 1260 CG ARG A 83 0.984 -13.920 3.396 1.00 0.00 C ATOM 1261 CD ARG A 83 2.456 -13.794 3.765 1.00 0.00 C ATOM 1262 NE ARG A 83 2.725 -12.918 4.918 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.420 -13.191 6.225 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.575 -14.179 6.552 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.956 -12.459 7.197 1.00 0.00 N ATOM 0 H ARG A 83 -0.273 -13.040 0.767 1.00 0.00 H new ATOM 0 HA ARG A 83 2.434 -13.936 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.250 -15.024 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.270 -15.807 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.574 -12.936 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.422 -14.311 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.850 -14.787 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.003 -13.415 2.902 1.00 0.00 H new ATOM 0 HE ARG A 83 3.180 -12.026 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.145 -14.745 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.362 -14.365 7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.593 -11.696 6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.730 -12.661 8.171 1.00 0.00 H new ATOM 1279 N ASP A 84 0.662 -15.331 -1.148 1.00 0.00 N ATOM 1280 CA ASP A 84 0.710 -16.261 -2.268 1.00 0.00 C ATOM 1281 C ASP A 84 1.873 -15.940 -3.154 1.00 0.00 C ATOM 1282 O ASP A 84 2.656 -16.806 -3.519 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.527 -16.154 -3.100 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.735 -17.388 -3.908 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -1.281 -18.378 -3.366 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.332 -17.421 -5.076 1.00 0.00 O ATOM 0 H ASP A 84 -0.132 -14.691 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 84 0.801 -17.266 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.390 -15.987 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.451 -15.291 -3.761 1.00 0.00 H new ATOM 1291 N THR A 85 2.001 -14.680 -3.447 1.00 0.00 N ATOM 1292 CA THR A 85 3.052 -14.177 -4.275 1.00 0.00 C ATOM 1293 C THR A 85 4.395 -14.289 -3.513 1.00 0.00 C ATOM 1294 O THR A 85 5.462 -14.508 -4.101 1.00 0.00 O ATOM 1295 CB THR A 85 2.702 -12.727 -4.640 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.499 -12.731 -5.447 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.844 -12.006 -5.360 1.00 0.00 C ATOM 0 H THR A 85 1.363 -13.959 -3.109 1.00 0.00 H new ATOM 0 HA THR A 85 3.158 -14.751 -5.196 1.00 0.00 H new ATOM 0 HB THR A 85 2.534 -12.171 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.713 -12.751 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.540 -10.986 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.724 -11.985 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.083 -12.534 -6.283 1.00 0.00 H new ATOM 1305 N ALA A 86 4.297 -14.202 -2.196 1.00 0.00 N ATOM 1306 CA ALA A 86 5.428 -14.384 -1.318 1.00 0.00 C ATOM 1307 C ALA A 86 5.960 -15.790 -1.413 1.00 0.00 C ATOM 1308 O ALA A 86 7.152 -15.980 -1.614 1.00 0.00 O ATOM 1309 CB ALA A 86 5.041 -14.114 0.092 1.00 0.00 C ATOM 0 H ALA A 86 3.423 -14.002 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 86 6.202 -13.682 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.906 -14.256 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.685 -13.088 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.248 -14.800 0.389 1.00 0.00 H new ATOM 1315 N LYS A 87 5.079 -16.790 -1.281 1.00 0.00 N ATOM 1316 CA LYS A 87 5.525 -18.179 -1.378 1.00 0.00 C ATOM 1317 C LYS A 87 5.957 -18.488 -2.792 1.00 0.00 C ATOM 1318 O LYS A 87 6.795 -19.342 -3.019 1.00 0.00 O ATOM 1319 CB LYS A 87 4.501 -19.230 -0.861 1.00 0.00 C ATOM 1320 CG LYS A 87 3.166 -19.273 -1.582 1.00 0.00 C ATOM 1321 CD LYS A 87 2.365 -20.508 -1.158 1.00 0.00 C ATOM 1322 CE LYS A 87 1.018 -20.583 -1.848 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.071 -19.597 -1.312 1.00 0.00 N ATOM 0 H LYS A 87 4.081 -16.666 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 87 6.376 -18.267 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.959 -20.217 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.314 -19.036 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.597 -18.370 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.329 -19.291 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.938 -21.406 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.217 -20.490 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.148 -20.417 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.605 -21.585 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.709 -20.090 -0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.560 -18.980 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.309 -19.022 -2.091 1.00 0.00 H new ATOM 1337 N ARG A 88 5.411 -17.749 -3.747 1.00 0.00 N ATOM 1338 CA ARG A 88 5.846 -17.874 -5.120 1.00 0.00 C ATOM 1339 C ARG A 88 7.267 -17.353 -5.265 1.00 0.00 C ATOM 1340 O ARG A 88 8.072 -17.921 -5.990 1.00 0.00 O ATOM 1341 CB ARG A 88 4.872 -17.240 -6.137 1.00 0.00 C ATOM 1342 CG ARG A 88 3.963 -18.266 -6.823 1.00 0.00 C ATOM 1343 CD ARG A 88 3.035 -18.987 -5.851 1.00 0.00 C ATOM 1344 NE ARG A 88 2.433 -20.195 -6.455 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.243 -20.738 -6.121 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.310 -20.012 -5.497 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.949 -21.977 -6.517 1.00 0.00 N ATOM 0 H ARG A 88 4.672 -17.063 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 88 5.842 -18.936 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.254 -16.501 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.445 -16.707 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.364 -17.762 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.580 -19.001 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.593 -19.268 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.244 -18.308 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 88 2.965 -20.660 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.493 -19.035 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.585 -20.435 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.622 -22.509 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.051 -22.393 -6.268 1.00 0.00 H new ATOM 1361 N ASN A 89 7.595 -16.317 -4.495 1.00 0.00 N ATOM 1362 CA ASN A 89 8.939 -15.801 -4.458 1.00 0.00 C ATOM 1363 C ASN A 89 9.843 -16.778 -3.721 1.00 0.00 C ATOM 1364 O ASN A 89 10.998 -16.931 -4.083 1.00 0.00 O ATOM 1365 CB ASN A 89 9.043 -14.395 -3.790 1.00 0.00 C ATOM 1366 CG ASN A 89 8.477 -13.240 -4.618 1.00 0.00 C ATOM 1367 OD1 ASN A 89 8.438 -13.292 -5.841 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.103 -12.152 -3.954 1.00 0.00 N ATOM 0 H ASN A 89 6.937 -15.825 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 89 9.257 -15.685 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.522 -14.425 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.092 -14.188 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.773 -11.332 -4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.146 -12.136 -2.935 1.00 0.00 H new ATOM 1375 N GLN A 90 9.299 -17.474 -2.702 1.00 0.00 N ATOM 1376 CA GLN A 90 10.094 -18.418 -1.913 1.00 0.00 C ATOM 1377 C GLN A 90 10.425 -19.684 -2.701 1.00 0.00 C ATOM 1378 O GLN A 90 11.586 -20.110 -2.717 1.00 0.00 O ATOM 1379 CB GLN A 90 9.434 -18.773 -0.572 1.00 0.00 C ATOM 1380 CG GLN A 90 9.107 -17.588 0.322 1.00 0.00 C ATOM 1381 CD GLN A 90 10.232 -16.584 0.380 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.138 -16.678 1.210 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.154 -15.603 -0.485 1.00 0.00 N ATOM 0 H GLN A 90 8.324 -17.397 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 90 11.029 -17.904 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.514 -19.322 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.095 -19.447 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.205 -17.098 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.890 -17.945 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.383 -15.571 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.864 -14.871 -0.491 1.00 0.00 H new ATOM 1392 N GLN A 91 9.429 -20.264 -3.383 1.00 0.00 N ATOM 1393 CA GLN A 91 9.668 -21.462 -4.191 1.00 0.00 C ATOM 1394 C GLN A 91 10.597 -21.154 -5.342 1.00 0.00 C ATOM 1395 O GLN A 91 11.458 -21.968 -5.672 1.00 0.00 O ATOM 1396 CB GLN A 91 8.363 -22.141 -4.674 1.00 0.00 C ATOM 1397 CG GLN A 91 7.405 -21.235 -5.427 1.00 0.00 C ATOM 1398 CD GLN A 91 6.212 -21.982 -5.983 1.00 0.00 C ATOM 1399 OE1 GLN A 91 6.217 -22.432 -7.126 1.00 0.00 O ATOM 1400 NE2 GLN A 91 5.201 -22.159 -5.174 1.00 0.00 N ATOM 0 H GLN A 91 8.466 -19.928 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 91 10.155 -22.189 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.626 -22.981 -5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.844 -22.553 -3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.056 -20.447 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.938 -20.749 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.229 -21.772 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.384 -22.684 -5.486 1.00 0.00 H new ATOM 1409 N ALA A 92 10.460 -19.954 -5.911 1.00 0.00 N ATOM 1410 CA ALA A 92 11.337 -19.523 -6.991 1.00 0.00 C ATOM 1411 C ALA A 92 12.739 -19.273 -6.440 1.00 0.00 C ATOM 1412 O ALA A 92 13.742 -19.603 -7.072 1.00 0.00 O ATOM 1413 CB ALA A 92 10.799 -18.271 -7.661 1.00 0.00 C ATOM 0 H ALA A 92 9.753 -19.270 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 92 11.381 -20.311 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.472 -17.970 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.811 -18.475 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.727 -17.468 -6.927 1.00 0.00 H new ATOM 1419 N GLY A 93 12.789 -18.730 -5.239 1.00 0.00 N ATOM 1420 CA GLY A 93 14.035 -18.477 -4.582 1.00 0.00 C ATOM 1421 C GLY A 93 14.514 -17.073 -4.788 1.00 0.00 C ATOM 1422 O GLY A 93 15.683 -16.839 -5.108 1.00 0.00 O ATOM 0 H GLY A 93 11.966 -18.457 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.925 -18.668 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.787 -19.173 -4.954 1.00 0.00 H new ATOM 1426 N ASN A 94 13.616 -16.136 -4.610 1.00 0.00 N ATOM 1427 CA ASN A 94 13.951 -14.734 -4.717 1.00 0.00 C ATOM 1428 C ASN A 94 14.325 -14.214 -3.358 1.00 0.00 C ATOM 1429 O ASN A 94 14.043 -14.863 -2.344 1.00 0.00 O ATOM 1430 CB ASN A 94 12.787 -13.892 -5.311 1.00 0.00 C ATOM 1431 CG ASN A 94 12.510 -14.179 -6.778 1.00 0.00 C ATOM 1432 OD1 ASN A 94 13.124 -13.589 -7.662 1.00 0.00 O ATOM 1433 ND2 ASN A 94 11.558 -15.035 -7.050 1.00 0.00 N ATOM 0 H ASN A 94 12.638 -16.320 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 94 14.793 -14.639 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.881 -14.084 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.020 -12.834 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.308 -15.228 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.067 -15.509 -6.292 1.00 0.00 H new ATOM 1440 N GLY A 95 14.966 -13.063 -3.326 1.00 0.00 N ATOM 1441 CA GLY A 95 15.346 -12.440 -2.076 1.00 0.00 C ATOM 1442 C GLY A 95 14.177 -11.740 -1.436 1.00 0.00 C ATOM 1443 O GLY A 95 14.237 -11.304 -0.281 1.00 0.00 O ATOM 0 H GLY A 95 15.236 -12.538 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.737 -13.196 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.149 -11.724 -2.253 1.00 0.00 H new ATOM 1447 N TRP A 96 13.108 -11.660 -2.183 1.00 0.00 N ATOM 1448 CA TRP A 96 11.907 -11.064 -1.747 1.00 0.00 C ATOM 1449 C TRP A 96 11.190 -12.066 -0.992 1.00 0.00 C ATOM 1450 O TRP A 96 11.096 -13.221 -1.408 1.00 0.00 O ATOM 1451 CB TRP A 96 11.121 -10.548 -2.913 1.00 0.00 C ATOM 1452 CG TRP A 96 11.944 -9.565 -3.618 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.578 -8.521 -3.042 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.273 -9.532 -4.994 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.281 -7.836 -3.958 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.117 -8.429 -5.179 1.00 0.00 C ATOM 1457 CE3 TRP A 96 11.942 -10.319 -6.084 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.637 -8.096 -6.415 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.456 -9.987 -7.309 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.301 -8.879 -7.467 1.00 0.00 C ATOM 0 H TRP A 96 13.064 -12.022 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 96 12.097 -10.198 -1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.850 -11.366 -3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.191 -10.092 -2.573 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.527 -8.272 -1.992 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.846 -7.007 -3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.293 -11.175 -5.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.287 -7.243 -6.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.206 -10.590 -8.170 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.691 -8.646 -8.447 1.00 0.00 H new ATOM 1471 N ASP A 97 10.657 -11.659 0.074 1.00 0.00 N ATOM 1472 CA ASP A 97 10.252 -12.602 1.052 1.00 0.00 C ATOM 1473 C ASP A 97 8.847 -12.363 1.521 1.00 0.00 C ATOM 1474 O ASP A 97 8.309 -11.272 1.377 1.00 0.00 O ATOM 1475 CB ASP A 97 11.266 -12.500 2.209 1.00 0.00 C ATOM 1476 CG ASP A 97 11.165 -13.561 3.277 1.00 0.00 C ATOM 1477 OD1 ASP A 97 10.206 -13.568 4.054 1.00 0.00 O ATOM 1478 OD2 ASP A 97 12.091 -14.391 3.374 1.00 0.00 O ATOM 0 H ASP A 97 10.483 -10.681 0.308 1.00 0.00 H new ATOM 0 HA ASP A 97 10.244 -13.607 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.271 -12.532 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.149 -11.525 2.682 1.00 0.00 H new ATOM 1483 N PHE A 98 8.279 -13.421 2.039 1.00 0.00 N ATOM 1484 CA PHE A 98 6.984 -13.508 2.691 1.00 0.00 C ATOM 1485 C PHE A 98 6.854 -12.472 3.839 1.00 0.00 C ATOM 1486 O PHE A 98 5.751 -12.035 4.178 1.00 0.00 O ATOM 1487 CB PHE A 98 6.850 -15.023 3.097 1.00 0.00 C ATOM 1488 CG PHE A 98 5.789 -15.477 4.058 1.00 0.00 C ATOM 1489 CD1 PHE A 98 5.846 -15.139 5.393 1.00 0.00 C ATOM 1490 CD2 PHE A 98 4.763 -16.313 3.626 1.00 0.00 C ATOM 1491 CE1 PHE A 98 4.913 -15.609 6.279 1.00 0.00 C ATOM 1492 CE2 PHE A 98 3.814 -16.781 4.512 1.00 0.00 C ATOM 1493 CZ PHE A 98 3.892 -16.429 5.840 1.00 0.00 C ATOM 0 H PHE A 98 8.747 -14.327 2.017 1.00 0.00 H new ATOM 0 HA PHE A 98 6.144 -13.235 2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.709 -15.589 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.810 -15.327 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.638 -14.494 5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.709 -16.599 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.976 -15.338 7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.015 -17.420 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.154 -16.794 6.539 1.00 0.00 H new ATOM 1503 N ASP A 99 7.979 -12.078 4.378 1.00 0.00 N ATOM 1504 CA ASP A 99 8.066 -11.009 5.360 1.00 0.00 C ATOM 1505 C ASP A 99 7.981 -9.646 4.686 1.00 0.00 C ATOM 1506 O ASP A 99 7.130 -8.818 5.051 1.00 0.00 O ATOM 1507 CB ASP A 99 9.367 -11.118 6.155 1.00 0.00 C ATOM 1508 CG ASP A 99 9.683 -9.886 6.978 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.794 -9.297 7.598 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.834 -9.485 7.024 1.00 0.00 O ATOM 0 H ASP A 99 8.881 -12.494 4.148 1.00 0.00 H new ATOM 0 HA ASP A 99 7.224 -11.110 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.306 -11.981 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.190 -11.304 5.465 1.00 0.00 H new ATOM 1515 N MET A 100 8.838 -9.422 3.673 1.00 0.00 N ATOM 1516 CA MET A 100 8.893 -8.125 2.977 1.00 0.00 C ATOM 1517 C MET A 100 7.591 -7.862 2.248 1.00 0.00 C ATOM 1518 O MET A 100 7.075 -6.756 2.252 1.00 0.00 O ATOM 1519 CB MET A 100 10.087 -8.013 1.981 1.00 0.00 C ATOM 1520 CG MET A 100 11.453 -8.281 2.570 1.00 0.00 C ATOM 1521 SD MET A 100 12.743 -8.143 1.322 1.00 0.00 S ATOM 1522 CE MET A 100 14.197 -8.483 2.303 1.00 0.00 C ATOM 0 H MET A 100 9.497 -10.117 3.321 1.00 0.00 H new ATOM 0 HA MET A 100 9.048 -7.370 3.747 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.920 -8.712 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.086 -7.011 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.648 -7.575 3.377 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.473 -9.279 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.047 -7.935 1.896 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.023 -8.170 3.332 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.410 -9.552 2.280 1.00 0.00 H new ATOM 1532 N LEU A 101 7.058 -8.889 1.657 1.00 0.00 N ATOM 1533 CA LEU A 101 5.823 -8.797 0.961 1.00 0.00 C ATOM 1534 C LEU A 101 4.691 -9.135 1.889 1.00 0.00 C ATOM 1535 O LEU A 101 4.347 -10.297 2.056 1.00 0.00 O ATOM 1536 CB LEU A 101 5.812 -9.687 -0.274 1.00 0.00 C ATOM 1537 CG LEU A 101 4.491 -9.772 -1.030 1.00 0.00 C ATOM 1538 CD1 LEU A 101 4.050 -8.426 -1.568 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.600 -10.783 -2.117 1.00 0.00 C ATOM 0 H LEU A 101 7.476 -9.819 1.648 1.00 0.00 H new ATOM 0 HA LEU A 101 5.696 -7.772 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.578 -9.328 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.100 -10.694 0.027 1.00 0.00 H new ATOM 0 HG LEU A 101 3.719 -10.087 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.104 -8.538 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.921 -7.728 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.807 -8.042 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.654 -10.842 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.393 -10.492 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.833 -11.757 -1.686 1.00 0.00 H new ATOM 1551 N THR A 102 4.271 -8.103 2.579 1.00 0.00 N ATOM 1552 CA THR A 102 3.146 -7.999 3.519 1.00 0.00 C ATOM 1553 C THR A 102 3.521 -6.950 4.519 1.00 0.00 C ATOM 1554 O THR A 102 2.740 -6.060 4.853 1.00 0.00 O ATOM 1555 CB THR A 102 2.757 -9.298 4.317 1.00 0.00 C ATOM 1556 OG1 THR A 102 3.908 -10.047 4.759 1.00 0.00 O ATOM 1557 CG2 THR A 102 1.770 -10.179 3.553 1.00 0.00 C ATOM 0 H THR A 102 4.753 -7.208 2.497 1.00 0.00 H new ATOM 0 HA THR A 102 2.271 -7.776 2.909 1.00 0.00 H new ATOM 0 HB THR A 102 2.246 -8.952 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.330 -10.483 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.535 -11.062 4.147 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.856 -9.618 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.214 -10.487 2.607 1.00 0.00 H new ATOM 1565 N GLY A 103 4.763 -7.034 4.944 1.00 0.00 N ATOM 1566 CA GLY A 103 5.243 -6.156 5.935 1.00 0.00 C ATOM 1567 C GLY A 103 5.059 -6.774 7.286 1.00 0.00 C ATOM 1568 O GLY A 103 4.335 -6.254 8.131 1.00 0.00 O ATOM 0 H GLY A 103 5.445 -7.712 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.297 -5.940 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.710 -5.206 5.883 1.00 0.00 H new ATOM 1572 N SER A 104 5.684 -7.917 7.474 1.00 0.00 N ATOM 1573 CA SER A 104 5.604 -8.631 8.726 1.00 0.00 C ATOM 1574 C SER A 104 6.596 -8.018 9.728 1.00 0.00 C ATOM 1575 O SER A 104 6.446 -8.133 10.938 1.00 0.00 O ATOM 1576 CB SER A 104 5.889 -10.100 8.462 1.00 0.00 C ATOM 1577 OG SER A 104 4.943 -10.604 7.511 1.00 0.00 O ATOM 0 H SER A 104 6.259 -8.374 6.766 1.00 0.00 H new ATOM 0 HA SER A 104 4.609 -8.549 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.903 -10.223 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.825 -10.667 9.391 1.00 0.00 H new ATOM 0 HG SER A 104 5.075 -10.156 6.649 1.00 0.00 H new ATOM 1583 N GLY A 105 7.580 -7.368 9.169 1.00 0.00 N ATOM 1584 CA GLY A 105 8.562 -6.640 9.932 1.00 0.00 C ATOM 1585 C GLY A 105 9.524 -7.547 10.648 1.00 0.00 C ATOM 1586 O GLY A 105 9.971 -7.237 11.749 1.00 0.00 O ATOM 0 H GLY A 105 7.726 -7.327 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.118 -5.979 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.055 -6.006 10.660 1.00 0.00 H new ATOM 1590 N ASN A 106 9.832 -8.671 10.055 1.00 0.00 N ATOM 1591 CA ASN A 106 10.772 -9.581 10.686 1.00 0.00 C ATOM 1592 C ASN A 106 12.184 -9.173 10.341 1.00 0.00 C ATOM 1593 O ASN A 106 13.041 -9.051 11.225 1.00 0.00 O ATOM 1594 CB ASN A 106 10.507 -11.047 10.305 1.00 0.00 C ATOM 1595 CG ASN A 106 9.157 -11.570 10.793 1.00 0.00 C ATOM 1596 OD1 ASN A 106 8.546 -12.417 10.155 1.00 0.00 O ATOM 1597 ND2 ASN A 106 8.703 -11.106 11.930 1.00 0.00 N ATOM 0 H ASN A 106 9.460 -8.980 9.157 1.00 0.00 H new ATOM 0 HA ASN A 106 10.635 -9.514 11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.556 -11.147 9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.300 -11.670 10.718 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.819 -11.450 12.305 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.233 -10.400 12.441 1.00 0.00 H new ATOM 1604 N TYR A 107 12.427 -8.901 9.083 1.00 0.00 N ATOM 1605 CA TYR A 107 13.687 -8.337 8.676 1.00 0.00 C ATOM 1606 C TYR A 107 13.468 -7.415 7.488 1.00 0.00 C ATOM 1607 O TYR A 107 14.396 -6.995 6.815 1.00 0.00 O ATOM 1608 CB TYR A 107 14.761 -9.418 8.399 1.00 0.00 C ATOM 1609 CG TYR A 107 14.545 -10.332 7.205 1.00 0.00 C ATOM 1610 CD1 TYR A 107 13.851 -11.533 7.312 1.00 0.00 C ATOM 1611 CD2 TYR A 107 15.086 -10.002 5.976 1.00 0.00 C ATOM 1612 CE1 TYR A 107 13.704 -12.368 6.212 1.00 0.00 C ATOM 1613 CE2 TYR A 107 14.953 -10.825 4.890 1.00 0.00 C ATOM 1614 CZ TYR A 107 14.266 -11.999 5.003 1.00 0.00 C ATOM 1615 OH TYR A 107 14.181 -12.828 3.903 1.00 0.00 O ATOM 0 H TYR A 107 11.766 -9.062 8.323 1.00 0.00 H new ATOM 0 HA TYR A 107 14.085 -7.748 9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.719 -8.915 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.848 -10.042 9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.422 -11.819 8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.626 -9.073 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.157 -13.295 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.392 -10.545 3.944 1.00 0.00 H new ATOM 0 HH TYR A 107 13.520 -13.531 4.074 1.00 0.00 H new ATOM 1625 N SER A 108 12.233 -7.066 7.290 1.00 0.00 N ATOM 1626 CA SER A 108 11.840 -6.196 6.227 1.00 0.00 C ATOM 1627 C SER A 108 12.008 -4.757 6.684 1.00 0.00 C ATOM 1628 O SER A 108 12.772 -3.975 6.083 1.00 0.00 O ATOM 1629 CB SER A 108 10.406 -6.535 5.841 1.00 0.00 C ATOM 1630 OG SER A 108 9.605 -6.729 7.009 1.00 0.00 O ATOM 0 H SER A 108 11.459 -7.384 7.873 1.00 0.00 H new ATOM 0 HA SER A 108 12.462 -6.326 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.987 -5.732 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.392 -7.437 5.229 1.00 0.00 H new ATOM 0 HG SER A 108 8.787 -6.195 6.937 1.00 0.00 H new ATOM 1636 N SER A 109 11.329 -4.440 7.787 1.00 0.00 N ATOM 1637 CA SER A 109 11.406 -3.146 8.436 1.00 0.00 C ATOM 1638 C SER A 109 11.020 -2.010 7.448 1.00 0.00 C ATOM 1639 O SER A 109 10.448 -2.251 6.379 1.00 0.00 O ATOM 1640 CB SER A 109 12.848 -2.981 9.018 1.00 0.00 C ATOM 1641 OG SER A 109 13.062 -1.735 9.686 1.00 0.00 O ATOM 0 H SER A 109 10.701 -5.092 8.257 1.00 0.00 H new ATOM 0 HA SER A 109 10.691 -3.081 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.043 -3.795 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.570 -3.076 8.207 1.00 0.00 H new ATOM 0 HG SER A 109 13.628 -1.159 9.131 1.00 0.00 H new ATOM 1647 N THR A 110 11.304 -0.797 7.828 1.00 0.00 N ATOM 1648 CA THR A 110 11.094 0.341 6.992 1.00 0.00 C ATOM 1649 C THR A 110 12.202 0.335 5.914 1.00 0.00 C ATOM 1650 O THR A 110 12.024 0.842 4.788 1.00 0.00 O ATOM 1651 CB THR A 110 11.203 1.609 7.865 1.00 0.00 C ATOM 1652 OG1 THR A 110 10.476 1.372 9.102 1.00 0.00 O ATOM 1653 CG2 THR A 110 10.586 2.814 7.159 1.00 0.00 C ATOM 0 H THR A 110 11.694 -0.572 8.743 1.00 0.00 H new ATOM 0 HA THR A 110 10.114 0.319 6.516 1.00 0.00 H new ATOM 0 HB THR A 110 12.255 1.820 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.534 2.166 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.676 3.694 7.796 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.108 2.991 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.533 2.618 6.958 1.00 0.00 H new ATOM 1661 N ASP A 111 13.301 -0.347 6.270 1.00 0.00 N ATOM 1662 CA ASP A 111 14.518 -0.468 5.487 1.00 0.00 C ATOM 1663 C ASP A 111 14.267 -0.967 4.087 1.00 0.00 C ATOM 1664 O ASP A 111 14.373 -0.210 3.134 1.00 0.00 O ATOM 1665 CB ASP A 111 15.499 -1.445 6.168 1.00 0.00 C ATOM 1666 CG ASP A 111 16.029 -0.961 7.488 1.00 0.00 C ATOM 1667 OD1 ASP A 111 15.304 -1.053 8.508 1.00 0.00 O ATOM 1668 OD2 ASP A 111 17.186 -0.488 7.551 1.00 0.00 O ATOM 0 H ASP A 111 13.357 -0.849 7.156 1.00 0.00 H new ATOM 0 HA ASP A 111 14.938 0.536 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.997 -2.401 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.338 -1.628 5.497 1.00 0.00 H new ATOM 1673 N ALA A 112 13.788 -2.184 3.967 1.00 0.00 N ATOM 1674 CA ALA A 112 13.754 -2.889 2.680 1.00 0.00 C ATOM 1675 C ALA A 112 12.943 -2.155 1.638 1.00 0.00 C ATOM 1676 O ALA A 112 13.294 -2.135 0.455 1.00 0.00 O ATOM 1677 CB ALA A 112 13.209 -4.276 2.881 1.00 0.00 C ATOM 0 H ALA A 112 13.410 -2.722 4.747 1.00 0.00 H new ATOM 0 HA ALA A 112 14.776 -2.940 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.184 -4.799 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 112 13.848 -4.821 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.200 -4.215 3.288 1.00 0.00 H new ATOM 1683 N GLN A 113 11.891 -1.510 2.094 1.00 0.00 N ATOM 1684 CA GLN A 113 11.018 -0.769 1.221 1.00 0.00 C ATOM 1685 C GLN A 113 11.757 0.450 0.729 1.00 0.00 C ATOM 1686 O GLN A 113 11.912 0.660 -0.469 1.00 0.00 O ATOM 1687 CB GLN A 113 9.852 -0.185 1.973 1.00 0.00 C ATOM 1688 CG GLN A 113 9.213 -1.028 3.064 1.00 0.00 C ATOM 1689 CD GLN A 113 8.513 -0.135 4.082 1.00 0.00 C ATOM 1690 OE1 GLN A 113 7.484 -0.491 4.622 1.00 0.00 O ATOM 1691 NE2 GLN A 113 9.164 0.964 4.474 1.00 0.00 N ATOM 0 H GLN A 113 11.621 -1.487 3.077 1.00 0.00 H new ATOM 0 HA GLN A 113 10.695 -1.454 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.181 0.751 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.078 0.065 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.496 -1.721 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.974 -1.630 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.026 1.241 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.799 1.526 5.243 1.00 0.00 H new ATOM 1700 N MET A 114 12.263 1.236 1.709 1.00 0.00 N ATOM 1701 CA MET A 114 12.789 2.551 1.465 1.00 0.00 C ATOM 1702 C MET A 114 14.116 2.466 0.726 1.00 0.00 C ATOM 1703 O MET A 114 14.560 3.431 0.116 1.00 0.00 O ATOM 1704 CB MET A 114 12.921 3.326 2.800 1.00 0.00 C ATOM 1705 CG MET A 114 14.166 3.051 3.626 1.00 0.00 C ATOM 1706 SD MET A 114 14.128 3.903 5.218 1.00 0.00 S ATOM 1707 CE MET A 114 15.735 3.454 5.887 1.00 0.00 C ATOM 0 H MET A 114 12.307 0.951 2.687 1.00 0.00 H new ATOM 0 HA MET A 114 12.097 3.101 0.827 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.887 4.393 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.049 3.100 3.413 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.260 1.978 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 114 15.048 3.366 3.068 1.00 0.00 H new ATOM 0 HE1 MET A 114 16.085 4.243 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.650 2.521 6.443 1.00 0.00 H new ATOM 0 HE3 MET A 114 16.446 3.326 5.071 1.00 0.00 H new ATOM 1717 N GLN A 115 14.750 1.286 0.795 1.00 0.00 N ATOM 1718 CA GLN A 115 15.965 1.046 0.062 1.00 0.00 C ATOM 1719 C GLN A 115 15.660 0.866 -1.411 1.00 0.00 C ATOM 1720 O GLN A 115 16.466 1.258 -2.267 1.00 0.00 O ATOM 1721 CB GLN A 115 16.790 -0.123 0.622 1.00 0.00 C ATOM 1722 CG GLN A 115 18.031 0.331 1.419 1.00 0.00 C ATOM 1723 CD GLN A 115 17.804 0.717 2.884 1.00 0.00 C ATOM 1724 OE1 GLN A 115 18.703 0.599 3.705 1.00 0.00 O ATOM 1725 NE2 GLN A 115 16.637 1.098 3.225 1.00 0.00 N ATOM 0 H GLN A 115 14.429 0.496 1.354 1.00 0.00 H new ATOM 0 HA GLN A 115 16.594 1.928 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.155 -0.730 1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.110 -0.761 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.767 -0.472 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 115 18.471 1.186 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.904 1.189 2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.436 1.312 4.202 1.00 0.00 H new ATOM 1734 N TYR A 116 14.482 0.289 -1.693 1.00 0.00 N ATOM 1735 CA TYR A 116 13.906 0.189 -3.027 1.00 0.00 C ATOM 1736 C TYR A 116 14.615 -0.797 -3.956 1.00 0.00 C ATOM 1737 O TYR A 116 15.781 -0.634 -4.300 1.00 0.00 O ATOM 1738 CB TYR A 116 13.821 1.569 -3.673 1.00 0.00 C ATOM 1739 CG TYR A 116 13.106 1.627 -5.004 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.740 1.438 -5.079 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.793 1.908 -6.174 1.00 0.00 C ATOM 1742 CE1 TYR A 116 11.077 1.517 -6.274 1.00 0.00 C ATOM 1743 CE2 TYR A 116 13.128 1.998 -7.382 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.763 1.797 -7.422 1.00 0.00 C ATOM 1745 OH TYR A 116 11.075 1.900 -8.613 1.00 0.00 O ATOM 0 H TYR A 116 13.893 -0.130 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 116 12.906 -0.219 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 116 13.317 2.243 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.833 1.950 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 116 11.184 1.224 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.862 2.059 -6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 116 10.009 1.358 -6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 116 13.672 2.224 -8.287 1.00 0.00 H new ATOM 0 HH TYR A 116 11.703 2.104 -9.337 1.00 0.00 H new ATOM 1755 N ASP A 117 13.899 -1.822 -4.335 1.00 0.00 N ATOM 1756 CA ASP A 117 14.325 -2.747 -5.384 1.00 0.00 C ATOM 1757 C ASP A 117 13.102 -2.929 -6.238 1.00 0.00 C ATOM 1758 O ASP A 117 12.031 -3.202 -5.670 1.00 0.00 O ATOM 1759 CB ASP A 117 14.751 -4.121 -4.831 1.00 0.00 C ATOM 1760 CG ASP A 117 15.410 -5.007 -5.899 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.753 -5.406 -6.852 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.623 -5.339 -5.770 1.00 0.00 O ATOM 0 H ASP A 117 12.992 -2.052 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 117 15.191 -2.350 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.446 -3.976 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.878 -4.633 -4.427 1.00 0.00 H new ATOM 1767 N PRO A 118 13.194 -2.721 -7.577 1.00 0.00 N ATOM 1768 CA PRO A 118 12.034 -2.798 -8.483 1.00 0.00 C ATOM 1769 C PRO A 118 11.156 -4.035 -8.269 1.00 0.00 C ATOM 1770 O PRO A 118 9.986 -3.893 -8.003 1.00 0.00 O ATOM 1771 CB PRO A 118 12.683 -2.852 -9.860 1.00 0.00 C ATOM 1772 CG PRO A 118 13.926 -2.055 -9.700 1.00 0.00 C ATOM 1773 CD PRO A 118 14.428 -2.364 -8.316 1.00 0.00 C ATOM 0 HA PRO A 118 11.356 -1.960 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.901 -3.877 -10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.032 -2.429 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.665 -2.325 -10.455 1.00 0.00 H new ATOM 0 HG3 PRO A 118 13.727 -0.990 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.145 -3.185 -8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.930 -1.506 -7.869 1.00 0.00 H new ATOM 1781 N GLY A 119 11.730 -5.230 -8.392 1.00 0.00 N ATOM 1782 CA GLY A 119 10.987 -6.477 -8.136 1.00 0.00 C ATOM 1783 C GLY A 119 10.161 -6.511 -6.846 1.00 0.00 C ATOM 1784 O GLY A 119 8.997 -6.906 -6.880 1.00 0.00 O ATOM 0 H GLY A 119 12.703 -5.368 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.318 -6.658 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.698 -7.302 -8.111 1.00 0.00 H new ATOM 1788 N LEU A 120 10.737 -6.055 -5.744 1.00 0.00 N ATOM 1789 CA LEU A 120 10.056 -6.054 -4.438 1.00 0.00 C ATOM 1790 C LEU A 120 8.930 -5.066 -4.460 1.00 0.00 C ATOM 1791 O LEU A 120 7.796 -5.405 -4.131 1.00 0.00 O ATOM 1792 CB LEU A 120 11.025 -5.635 -3.342 1.00 0.00 C ATOM 1793 CG LEU A 120 10.421 -5.456 -1.938 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.845 -6.775 -1.404 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.449 -4.845 -0.980 1.00 0.00 C ATOM 0 H LEU A 120 11.683 -5.675 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 120 9.682 -7.059 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.818 -6.380 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.492 -4.695 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 120 9.587 -4.757 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.426 -6.613 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.062 -7.128 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.637 -7.521 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.001 -4.727 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.316 -5.502 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.762 -3.871 -1.355 1.00 0.00 H new ATOM 1807 N PHE A 121 9.288 -3.830 -4.811 1.00 0.00 N ATOM 1808 CA PHE A 121 8.335 -2.728 -4.907 1.00 0.00 C ATOM 1809 C PHE A 121 7.159 -3.119 -5.799 1.00 0.00 C ATOM 1810 O PHE A 121 6.007 -2.891 -5.451 1.00 0.00 O ATOM 1811 CB PHE A 121 9.021 -1.443 -5.427 1.00 0.00 C ATOM 1812 CG PHE A 121 8.120 -0.234 -5.441 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.941 0.521 -4.294 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.449 0.141 -6.594 1.00 0.00 C ATOM 1815 CE1 PHE A 121 7.112 1.618 -4.300 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.621 1.238 -6.602 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.452 1.974 -5.455 1.00 0.00 C ATOM 0 H PHE A 121 10.247 -3.567 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 121 7.954 -2.518 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.890 -1.229 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.389 -1.622 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 121 8.457 0.246 -3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.578 -0.436 -7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.979 2.200 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.105 1.520 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.800 2.835 -5.459 1.00 0.00 H new ATOM 1827 N ALA A 122 7.466 -3.772 -6.900 1.00 0.00 N ATOM 1828 CA ALA A 122 6.460 -4.214 -7.851 1.00 0.00 C ATOM 1829 C ALA A 122 5.553 -5.263 -7.229 1.00 0.00 C ATOM 1830 O ALA A 122 4.365 -5.298 -7.515 1.00 0.00 O ATOM 1831 CB ALA A 122 7.110 -4.752 -9.127 1.00 0.00 C ATOM 0 H ALA A 122 8.421 -4.013 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 122 5.851 -3.351 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.335 -5.076 -9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.707 -3.966 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.752 -5.598 -8.880 1.00 0.00 H new ATOM 1837 N GLN A 123 6.111 -6.087 -6.340 1.00 0.00 N ATOM 1838 CA GLN A 123 5.330 -7.110 -5.662 1.00 0.00 C ATOM 1839 C GLN A 123 4.425 -6.463 -4.635 1.00 0.00 C ATOM 1840 O GLN A 123 3.220 -6.629 -4.686 1.00 0.00 O ATOM 1841 CB GLN A 123 6.212 -8.186 -4.956 1.00 0.00 C ATOM 1842 CG GLN A 123 7.125 -9.042 -5.852 1.00 0.00 C ATOM 1843 CD GLN A 123 6.380 -9.861 -6.902 1.00 0.00 C ATOM 1844 OE1 GLN A 123 5.338 -9.468 -7.397 1.00 0.00 O ATOM 1845 NE2 GLN A 123 6.908 -11.020 -7.240 1.00 0.00 N ATOM 0 H GLN A 123 7.096 -6.062 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 123 4.747 -7.619 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.838 -7.681 -4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.552 -8.857 -4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.838 -8.389 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.703 -9.719 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.781 -11.327 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.443 -11.610 -7.930 1.00 0.00 H new ATOM 1854 N ILE A 124 5.019 -5.702 -3.717 1.00 0.00 N ATOM 1855 CA ILE A 124 4.274 -5.062 -2.635 1.00 0.00 C ATOM 1856 C ILE A 124 3.178 -4.127 -3.157 1.00 0.00 C ATOM 1857 O ILE A 124 2.039 -4.195 -2.702 1.00 0.00 O ATOM 1858 CB ILE A 124 5.212 -4.345 -1.590 1.00 0.00 C ATOM 1859 CG1 ILE A 124 6.088 -3.272 -2.258 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.062 -5.378 -0.869 1.00 0.00 C ATOM 1861 CD1 ILE A 124 7.025 -2.508 -1.323 1.00 0.00 C ATOM 0 H ILE A 124 6.021 -5.513 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 124 3.774 -5.868 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 124 4.586 -3.833 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.687 -3.749 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.436 -2.554 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.709 -4.878 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.414 -6.083 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.674 -5.915 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.595 -1.777 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 124 6.439 -1.994 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.710 -3.207 -0.843 1.00 0.00 H new ATOM 1873 N GLN A 125 3.499 -3.326 -4.157 1.00 0.00 N ATOM 1874 CA GLN A 125 2.540 -2.393 -4.709 1.00 0.00 C ATOM 1875 C GLN A 125 1.380 -3.125 -5.365 1.00 0.00 C ATOM 1876 O GLN A 125 0.208 -2.897 -5.021 1.00 0.00 O ATOM 1877 CB GLN A 125 3.194 -1.482 -5.729 1.00 0.00 C ATOM 1878 CG GLN A 125 2.240 -0.464 -6.315 1.00 0.00 C ATOM 1879 CD GLN A 125 2.858 0.341 -7.428 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.719 -0.139 -8.168 1.00 0.00 O ATOM 1881 NE2 GLN A 125 2.439 1.562 -7.552 1.00 0.00 N ATOM 0 H GLN A 125 4.417 -3.305 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 125 2.161 -1.792 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.028 -0.961 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.609 -2.088 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 125 1.355 -0.977 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.906 0.211 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.725 1.923 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.824 2.162 -8.282 1.00 0.00 H new ATOM 1890 N ALA A 126 1.708 -4.025 -6.272 1.00 0.00 N ATOM 1891 CA ALA A 126 0.706 -4.711 -7.046 1.00 0.00 C ATOM 1892 C ALA A 126 -0.133 -5.627 -6.199 1.00 0.00 C ATOM 1893 O ALA A 126 -1.343 -5.646 -6.354 1.00 0.00 O ATOM 1894 CB ALA A 126 1.321 -5.472 -8.201 1.00 0.00 C ATOM 0 H ALA A 126 2.668 -4.295 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 126 0.049 -3.943 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.536 -5.977 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.846 -4.777 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.025 -6.210 -7.817 1.00 0.00 H new ATOM 1900 N ALA A 127 0.488 -6.340 -5.269 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.235 -7.303 -4.464 1.00 0.00 C ATOM 1902 C ALA A 127 -1.170 -6.602 -3.503 1.00 0.00 C ATOM 1903 O ALA A 127 -2.327 -7.055 -3.292 1.00 0.00 O ATOM 1904 CB ALA A 127 0.721 -8.225 -3.727 1.00 0.00 C ATOM 0 H ALA A 127 1.483 -6.268 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.838 -7.919 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.152 -8.938 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.335 -8.764 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.363 -7.635 -3.073 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.696 -5.488 -2.925 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.513 -4.714 -2.038 1.00 0.00 C ATOM 1912 C ALA A 128 -2.736 -4.203 -2.741 1.00 0.00 C ATOM 1913 O ALA A 128 -3.787 -4.590 -2.394 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.766 -3.587 -1.365 1.00 0.00 C ATOM 0 H ALA A 128 0.245 -5.122 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.822 -5.392 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.444 -3.042 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.057 -3.995 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.372 -2.909 -2.122 1.00 0.00 H new ATOM 1920 N THR A 129 -2.596 -3.403 -3.783 1.00 0.00 N ATOM 1921 CA THR A 129 -3.795 -2.831 -4.419 1.00 0.00 C ATOM 1922 C THR A 129 -4.717 -3.915 -5.021 1.00 0.00 C ATOM 1923 O THR A 129 -5.967 -3.743 -5.058 1.00 0.00 O ATOM 1924 CB THR A 129 -3.456 -1.718 -5.456 1.00 0.00 C ATOM 1925 OG1 THR A 129 -4.663 -1.144 -5.990 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.598 -2.251 -6.598 1.00 0.00 C ATOM 0 H THR A 129 -1.706 -3.135 -4.203 1.00 0.00 H new ATOM 0 HA THR A 129 -4.354 -2.348 -3.618 1.00 0.00 H new ATOM 0 HB THR A 129 -2.887 -0.951 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 129 -4.773 -1.423 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.384 -1.444 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.663 -2.642 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.134 -3.048 -7.114 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.121 -5.083 -5.349 1.00 0.00 N ATOM 1935 CA LYS A 130 -4.829 -6.180 -5.989 1.00 0.00 C ATOM 1936 C LYS A 130 -5.794 -6.741 -5.007 1.00 0.00 C ATOM 1937 O LYS A 130 -6.792 -7.293 -5.359 1.00 0.00 O ATOM 1938 CB LYS A 130 -3.844 -7.262 -6.470 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.485 -8.430 -7.192 1.00 0.00 C ATOM 1940 CD LYS A 130 -5.140 -8.005 -8.498 1.00 0.00 C ATOM 1941 CE LYS A 130 -5.731 -9.201 -9.225 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.689 -10.153 -9.641 1.00 0.00 N ATOM 0 H LYS A 130 -3.136 -5.277 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.361 -5.817 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.114 -6.799 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.295 -7.643 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.729 -9.189 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.232 -8.890 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -5.923 -7.275 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.404 -7.515 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.446 -9.705 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.282 -8.859 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -5.077 -10.803 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.886 -9.633 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -4.366 -10.697 -8.816 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.444 -6.597 -3.777 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.276 -6.875 -2.670 1.00 0.00 C ATOM 1958 C ALA A 131 -7.154 -5.669 -2.434 1.00 0.00 C ATOM 1959 O ALA A 131 -8.366 -5.745 -2.618 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.357 -7.133 -1.511 1.00 0.00 C ATOM 0 H ALA A 131 -4.519 -6.264 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.925 -7.737 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.947 -7.355 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.712 -7.981 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.744 -6.250 -1.329 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.513 -4.535 -2.196 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.112 -3.273 -1.760 1.00 0.00 C ATOM 1968 C TRP A 132 -7.939 -2.546 -2.830 1.00 0.00 C ATOM 1969 O TRP A 132 -8.018 -1.330 -2.848 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.082 -2.296 -1.200 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.340 -2.798 -0.028 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.937 -4.030 0.135 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.930 -2.097 1.134 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.204 -4.177 1.204 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.189 -3.013 1.885 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.073 -0.797 1.617 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.596 -2.680 3.068 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.497 -0.500 2.786 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.763 -1.437 3.494 1.00 0.00 C ATOM 0 H TRP A 132 -5.502 -4.462 -2.307 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.796 -3.588 -0.972 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.370 -2.048 -1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.589 -1.371 -0.925 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.183 -4.837 -0.540 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.721 -5.032 1.480 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.631 -0.055 1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -3.017 -3.397 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.607 0.496 3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -3.310 -1.143 4.429 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.489 -3.254 -3.729 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.426 -2.637 -4.659 1.00 0.00 C ATOM 1992 C ARG A 133 -10.960 -3.093 -4.671 1.00 0.00 C ATOM 1993 O ARG A 133 -11.884 -2.270 -4.677 1.00 0.00 O ATOM 1994 CB ARG A 133 -8.786 -2.437 -6.050 1.00 0.00 C ATOM 1995 CG ARG A 133 -9.760 -2.150 -7.153 1.00 0.00 C ATOM 1996 CD ARG A 133 -10.362 -3.429 -7.694 1.00 0.00 C ATOM 1997 NE ARG A 133 -11.673 -3.220 -8.301 1.00 0.00 N ATOM 1998 CZ ARG A 133 -11.889 -3.303 -9.637 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -10.869 -3.195 -10.492 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -13.116 -3.425 -10.110 1.00 0.00 N ATOM 0 H ARG A 133 -8.330 -4.252 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 133 -9.593 -1.661 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.072 -1.615 -5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -8.221 -3.333 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.552 -1.500 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -9.256 -1.613 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -9.687 -3.859 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -10.452 -4.154 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 133 -12.462 -3.002 -7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -9.922 -3.049 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -11.036 -3.258 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -13.909 -3.457 -9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -13.271 -3.487 -11.116 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.171 -4.349 -4.646 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.418 -5.009 -5.131 1.00 0.00 C ATOM 2016 C LYS A 134 -13.697 -5.101 -4.195 1.00 0.00 C ATOM 2017 O LYS A 134 -14.394 -6.120 -4.250 1.00 0.00 O ATOM 2018 CB LYS A 134 -11.992 -6.388 -5.517 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.589 -7.159 -4.313 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.872 -8.423 -4.613 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.479 -8.123 -5.014 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.751 -9.297 -5.540 1.00 0.00 N ATOM 0 H LYS A 134 -10.485 -5.011 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.798 -4.361 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -12.808 -6.899 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -11.160 -6.336 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -10.951 -6.532 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.479 -7.389 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.877 -9.072 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.383 -8.961 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.488 -7.341 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -8.939 -7.726 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.813 -9.352 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.287 -10.162 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.641 -9.204 -6.570 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.070 -4.099 -3.424 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.294 -4.335 -2.568 1.00 0.00 C ATOM 2038 C LEU A 135 -16.525 -4.141 -3.462 1.00 0.00 C ATOM 2039 O LEU A 135 -16.377 -3.606 -4.548 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.455 -3.388 -1.335 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.305 -3.146 -0.368 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.315 -4.273 -0.314 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -13.661 -1.806 -0.603 1.00 0.00 C ATOM 0 H LEU A 135 -13.620 -3.187 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.185 -5.340 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.757 -2.414 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.289 -3.771 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 135 -14.743 -3.120 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.525 -4.029 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.819 -5.185 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.881 -4.424 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -12.844 -1.666 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.272 -1.763 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -14.401 -1.017 -0.464 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.735 -4.573 -3.066 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.937 -4.318 -3.871 1.00 0.00 C ATOM 2057 C PRO A 136 -19.215 -2.813 -4.019 1.00 0.00 C ATOM 2058 O PRO A 136 -18.750 -1.984 -3.203 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.049 -4.992 -3.074 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.344 -6.022 -2.270 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.053 -5.393 -1.874 1.00 0.00 C ATOM 0 HA PRO A 136 -18.841 -4.697 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.572 -4.278 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.795 -5.440 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.928 -6.306 -1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -19.178 -6.929 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.154 -4.785 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.282 -6.136 -1.672 1.00 0.00 H new ATOM 2069 N VAL A 137 -19.988 -2.477 -5.029 1.00 0.00 N ATOM 2070 CA VAL A 137 -20.299 -1.104 -5.350 1.00 0.00 C ATOM 2071 C VAL A 137 -21.329 -0.561 -4.348 1.00 0.00 C ATOM 2072 O VAL A 137 -21.977 -1.343 -3.623 1.00 0.00 O ATOM 2073 CB VAL A 137 -20.831 -0.974 -6.825 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -22.224 -1.575 -6.991 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -20.747 0.470 -7.343 1.00 0.00 C ATOM 0 H VAL A 137 -20.421 -3.156 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 137 -19.387 -0.512 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 137 -20.166 -1.567 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -22.548 -1.461 -8.025 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -22.196 -2.634 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.923 -1.060 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -21.125 0.513 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.347 1.120 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -19.709 0.803 -7.326 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.454 0.749 -4.288 1.00 0.00 N ATOM 2086 CA LYS A 138 -22.386 1.407 -3.402 1.00 0.00 C ATOM 2087 C LYS A 138 -23.821 1.102 -3.764 1.00 0.00 C ATOM 2088 O LYS A 138 -24.580 0.602 -2.936 1.00 0.00 O ATOM 2089 CB LYS A 138 -22.131 2.916 -3.366 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.980 3.341 -2.521 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.182 2.905 -1.087 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.102 3.444 -0.226 1.00 0.00 C ATOM 2093 NZ LYS A 138 -20.170 2.926 1.156 1.00 0.00 N ATOM 0 H LYS A 138 -20.905 1.391 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 138 -22.219 1.010 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -21.963 3.265 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -23.031 3.413 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -20.057 2.911 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -20.870 4.425 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -22.150 3.253 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.193 1.817 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.135 3.189 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -20.166 4.532 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -19.395 3.332 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -21.081 3.191 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -20.082 1.890 1.143 1.00 0.00 H new ATOM 2107 N GLY A 139 -24.189 1.365 -4.981 1.00 0.00 N ATOM 2108 CA GLY A 139 -25.535 1.112 -5.378 1.00 0.00 C ATOM 2109 C GLY A 139 -25.740 1.381 -6.839 1.00 0.00 C ATOM 2110 O GLY A 139 -26.391 2.358 -7.203 1.00 0.00 O ATOM 0 H GLY A 139 -23.583 1.750 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -25.791 0.075 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -26.211 1.737 -4.794 1.00 0.00 H new ATOM 2114 N ASP A 140 -25.167 0.546 -7.667 1.00 0.00 N ATOM 2115 CA ASP A 140 -25.279 0.659 -9.108 1.00 0.00 C ATOM 2116 C ASP A 140 -24.862 -0.652 -9.706 1.00 0.00 C ATOM 2117 O ASP A 140 -23.656 -0.911 -9.792 1.00 0.00 O ATOM 2118 CB ASP A 140 -24.388 1.766 -9.668 1.00 0.00 C ATOM 2119 CG ASP A 140 -24.622 2.011 -11.155 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -24.076 1.280 -12.007 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -25.352 2.969 -11.502 1.00 0.00 O ATOM 2122 OXT ASP A 140 -25.724 -1.454 -10.072 1.00 0.00 O ATOM 0 H ASP A 140 -24.600 -0.245 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 140 -26.310 0.908 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -24.572 2.689 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -23.343 1.502 -9.507 1.00 0.00 H new TER 2127 ASP A 140