USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 56 SER OG : rot 180:sc= 0.0487 USER MOD Set 1.2: A 57 SER OG : rot 64:sc= 0.0501 USER MOD Set 2.1: A 31 SER OG : rot 93:sc= 0.369 USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.165 K(o=0.53,f=-2.6) USER MOD Single : A 0 GLY N :NH3+ -116:sc= 0.0532 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -172:sc= 0 (180deg=-0.0447) USER MOD Single : A 26 GLN : amide:sc= 1.24 K(o=1.2,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.565) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -15:sc= -0.586 USER MOD Single : A 42 SER OG : rot -45:sc= 0.195 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.64 K(o=1.6,f=-4!) USER MOD Single : A 53 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.092) USER MOD Single : A 58 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.02 K(o=1,f=-0.27) USER MOD Single : A 67 ASN : amide:sc= 0.182 X(o=0.18,f=-0.26) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0.691 (180deg=0.599) USER MOD Single : A 71 ASN : amide:sc= 0.702 K(o=0.7,f=-3.5!) USER MOD Single : A 73 THR OG1 : rot 63:sc= 1.75 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.156 USER MOD Single : A 83 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.066) USER MOD Single : A 84 ASN : amide:sc= -0.0968 K(o=-0.097,f=-0.86) USER MOD Single : A 86 GLN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 89 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.011) USER MOD Single : A 93 GLN : amide:sc= 1.06 K(o=1.1,f=-9.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 95 SER OG : rot 180:sc=-0.000476 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 16.702 -23.797 -17.282 1.00 0.00 N ATOM 2 CA GLY A 0 17.476 -22.557 -17.519 1.00 0.00 C ATOM 3 C GLY A 0 16.790 -21.336 -16.923 1.00 0.00 C ATOM 4 O GLY A 0 15.587 -21.355 -16.653 1.00 0.00 O ATOM 0 H1 GLY A 0 17.253 -24.440 -16.679 1.00 0.00 H new ATOM 0 H2 GLY A 0 15.806 -23.562 -16.809 1.00 0.00 H new ATOM 0 H3 GLY A 0 16.503 -24.261 -18.191 1.00 0.00 H new ATOM 0 HA2 GLY A 0 18.471 -22.662 -17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 0 17.609 -22.411 -18.591 1.00 0.00 H new ATOM 10 N MET A 1 17.547 -20.255 -16.710 1.00 0.00 N ATOM 11 CA MET A 1 17.039 -18.982 -16.169 1.00 0.00 C ATOM 12 C MET A 1 16.061 -18.283 -17.148 1.00 0.00 C ATOM 13 O MET A 1 16.320 -18.294 -18.358 1.00 0.00 O ATOM 14 CB MET A 1 18.236 -18.078 -15.822 1.00 0.00 C ATOM 15 CG MET A 1 17.829 -16.767 -15.139 1.00 0.00 C ATOM 16 SD MET A 1 19.228 -15.726 -14.643 1.00 0.00 S ATOM 17 CE MET A 1 18.314 -14.324 -13.943 1.00 0.00 C ATOM 0 H MET A 1 18.547 -20.236 -16.911 1.00 0.00 H new ATOM 0 HA MET A 1 16.465 -19.186 -15.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.917 -18.624 -15.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.786 -17.848 -16.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.190 -16.200 -15.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.232 -16.999 -14.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.018 -13.574 -13.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.678 -13.884 -14.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.696 -14.670 -13.114 1.00 0.00 H new ATOM 27 N PRO A 2 14.965 -17.649 -16.672 1.00 0.00 N ATOM 28 CA PRO A 2 14.042 -16.882 -17.520 1.00 0.00 C ATOM 29 C PRO A 2 14.707 -15.715 -18.286 1.00 0.00 C ATOM 30 O PRO A 2 15.715 -15.168 -17.817 1.00 0.00 O ATOM 31 CB PRO A 2 12.947 -16.365 -16.578 1.00 0.00 C ATOM 32 CG PRO A 2 12.948 -17.384 -15.443 1.00 0.00 C ATOM 33 CD PRO A 2 14.428 -17.736 -15.320 1.00 0.00 C ATOM 0 HA PRO A 2 13.652 -17.527 -18.307 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.169 -15.361 -16.217 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.978 -16.318 -17.075 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.552 -16.963 -14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.341 -18.258 -15.681 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.941 -17.046 -14.649 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.560 -18.737 -14.909 1.00 0.00 H new ATOM 41 N PRO A 3 14.152 -15.291 -19.440 1.00 0.00 N ATOM 42 CA PRO A 3 14.653 -14.147 -20.208 1.00 0.00 C ATOM 43 C PRO A 3 14.486 -12.802 -19.461 1.00 0.00 C ATOM 44 O PRO A 3 13.637 -12.692 -18.566 1.00 0.00 O ATOM 45 CB PRO A 3 13.862 -14.168 -21.523 1.00 0.00 C ATOM 46 CG PRO A 3 12.537 -14.818 -21.128 1.00 0.00 C ATOM 47 CD PRO A 3 12.967 -15.846 -20.083 1.00 0.00 C ATOM 0 HA PRO A 3 15.727 -14.231 -20.375 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.714 -13.163 -21.919 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.377 -14.742 -22.293 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.836 -14.091 -20.717 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.046 -15.288 -21.980 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.173 -16.019 -19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.189 -16.806 -20.548 1.00 0.00 H new ATOM 55 N PRO A 4 15.270 -11.762 -19.818 1.00 0.00 N ATOM 56 CA PRO A 4 15.184 -10.434 -19.205 1.00 0.00 C ATOM 57 C PRO A 4 13.846 -9.723 -19.490 1.00 0.00 C ATOM 58 O PRO A 4 13.160 -10.004 -20.477 1.00 0.00 O ATOM 59 CB PRO A 4 16.379 -9.649 -19.760 1.00 0.00 C ATOM 60 CG PRO A 4 16.624 -10.300 -21.121 1.00 0.00 C ATOM 61 CD PRO A 4 16.293 -11.767 -20.856 1.00 0.00 C ATOM 0 HA PRO A 4 15.218 -10.509 -18.118 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.153 -8.587 -19.857 1.00 0.00 H new ATOM 0 HB3 PRO A 4 17.251 -9.732 -19.111 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.985 -9.874 -21.894 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.654 -10.171 -21.452 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.930 -12.255 -21.760 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.177 -12.315 -20.531 1.00 0.00 H new ATOM 69 N ALA A 5 13.494 -8.773 -18.618 1.00 0.00 N ATOM 70 CA ALA A 5 12.245 -8.004 -18.642 1.00 0.00 C ATOM 71 C ALA A 5 12.431 -6.596 -18.031 1.00 0.00 C ATOM 72 O ALA A 5 13.492 -6.277 -17.489 1.00 0.00 O ATOM 73 CB ALA A 5 11.177 -8.815 -17.887 1.00 0.00 C ATOM 0 H ALA A 5 14.099 -8.507 -17.841 1.00 0.00 H new ATOM 0 HA ALA A 5 11.928 -7.844 -19.672 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.235 -8.266 -17.889 1.00 0.00 H new ATOM 0 HB2 ALA A 5 11.037 -9.778 -18.378 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.502 -8.976 -16.859 1.00 0.00 H new ATOM 79 N ASP A 6 11.390 -5.758 -18.087 1.00 0.00 N ATOM 80 CA ASP A 6 11.351 -4.400 -17.505 1.00 0.00 C ATOM 81 C ASP A 6 11.177 -4.422 -15.965 1.00 0.00 C ATOM 82 O ASP A 6 10.235 -3.854 -15.405 1.00 0.00 O ATOM 83 CB ASP A 6 10.272 -3.553 -18.209 1.00 0.00 C ATOM 84 CG ASP A 6 10.454 -3.387 -19.730 1.00 0.00 C ATOM 85 OD1 ASP A 6 9.438 -3.074 -20.400 1.00 0.00 O ATOM 86 OD2 ASP A 6 11.583 -3.524 -20.260 1.00 0.00 O ATOM 0 H ASP A 6 10.519 -6.010 -18.554 1.00 0.00 H new ATOM 0 HA ASP A 6 12.318 -3.928 -17.681 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.299 -4.007 -18.024 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.254 -2.564 -17.752 1.00 0.00 H new ATOM 91 N ILE A 7 12.080 -5.128 -15.279 1.00 0.00 N ATOM 92 CA ILE A 7 12.044 -5.423 -13.839 1.00 0.00 C ATOM 93 C ILE A 7 13.425 -5.145 -13.226 1.00 0.00 C ATOM 94 O ILE A 7 14.450 -5.520 -13.802 1.00 0.00 O ATOM 95 CB ILE A 7 11.591 -6.885 -13.585 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.265 -7.216 -14.313 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.473 -7.156 -12.072 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.733 -8.638 -14.097 1.00 0.00 C ATOM 0 H ILE A 7 12.899 -5.531 -15.734 1.00 0.00 H new ATOM 0 HA ILE A 7 11.313 -4.774 -13.357 1.00 0.00 H new ATOM 0 HB ILE A 7 12.355 -7.544 -13.999 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.504 -6.508 -13.985 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.408 -7.058 -15.382 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.154 -8.186 -11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.441 -6.997 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.740 -6.477 -11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.802 -8.766 -14.649 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.468 -9.360 -14.453 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.550 -8.801 -13.035 1.00 0.00 H new ATOM 110 N VAL A 8 13.455 -4.508 -12.052 1.00 0.00 N ATOM 111 CA VAL A 8 14.682 -4.119 -11.332 1.00 0.00 C ATOM 112 C VAL A 8 14.617 -4.510 -9.853 1.00 0.00 C ATOM 113 O VAL A 8 13.631 -4.231 -9.170 1.00 0.00 O ATOM 114 CB VAL A 8 14.979 -2.612 -11.494 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.451 -2.292 -12.916 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.804 -1.682 -11.157 1.00 0.00 C ATOM 0 H VAL A 8 12.604 -4.239 -11.558 1.00 0.00 H new ATOM 0 HA VAL A 8 15.507 -4.671 -11.783 1.00 0.00 H new ATOM 0 HB VAL A 8 15.764 -2.417 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.653 -1.224 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.361 -2.851 -13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.675 -2.572 -13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.108 -0.645 -11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.962 -1.907 -11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.507 -1.833 -10.119 1.00 0.00 H new ATOM 126 N LYS A 9 15.674 -5.146 -9.337 1.00 0.00 N ATOM 127 CA LYS A 9 15.832 -5.439 -7.903 1.00 0.00 C ATOM 128 C LYS A 9 16.164 -4.163 -7.125 1.00 0.00 C ATOM 129 O LYS A 9 16.918 -3.320 -7.613 1.00 0.00 O ATOM 130 CB LYS A 9 16.897 -6.535 -7.710 1.00 0.00 C ATOM 131 CG LYS A 9 16.870 -7.133 -6.291 1.00 0.00 C ATOM 132 CD LYS A 9 17.854 -8.299 -6.109 1.00 0.00 C ATOM 133 CE LYS A 9 19.319 -7.852 -6.220 1.00 0.00 C ATOM 134 NZ LYS A 9 20.255 -8.987 -6.005 1.00 0.00 N ATOM 0 H LYS A 9 16.453 -5.476 -9.906 1.00 0.00 H new ATOM 0 HA LYS A 9 14.891 -5.816 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.735 -7.329 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.884 -6.118 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.105 -6.351 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.861 -7.479 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.691 -8.760 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.652 -9.062 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.494 -7.417 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.518 -7.071 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.235 -8.649 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.105 -9.386 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.081 -9.721 -6.721 1.00 0.00 H new ATOM 148 N VAL A 10 15.643 -4.040 -5.909 1.00 0.00 N ATOM 149 CA VAL A 10 15.853 -2.912 -4.989 1.00 0.00 C ATOM 150 C VAL A 10 16.027 -3.403 -3.551 1.00 0.00 C ATOM 151 O VAL A 10 15.469 -4.434 -3.170 1.00 0.00 O ATOM 152 CB VAL A 10 14.707 -1.879 -5.075 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.640 -1.233 -6.463 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.325 -2.460 -4.735 1.00 0.00 C ATOM 0 H VAL A 10 15.033 -4.755 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 10 16.771 -2.412 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 10 14.948 -1.130 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.823 -0.512 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.581 -0.724 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.468 -2.003 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.571 -1.677 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.088 -3.266 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.335 -2.850 -3.717 1.00 0.00 H new ATOM 164 N ALA A 11 16.785 -2.656 -2.745 1.00 0.00 N ATOM 165 CA ALA A 11 16.961 -2.897 -1.311 1.00 0.00 C ATOM 166 C ALA A 11 16.307 -1.762 -0.510 1.00 0.00 C ATOM 167 O ALA A 11 16.784 -0.628 -0.538 1.00 0.00 O ATOM 168 CB ALA A 11 18.458 -3.039 -1.010 1.00 0.00 C ATOM 0 H ALA A 11 17.307 -1.846 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 11 16.470 -3.823 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.599 -3.219 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.865 -3.877 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.975 -2.123 -1.295 1.00 0.00 H new ATOM 174 N ILE A 12 15.197 -2.052 0.170 1.00 0.00 N ATOM 175 CA ILE A 12 14.376 -1.050 0.861 1.00 0.00 C ATOM 176 C ILE A 12 14.698 -1.051 2.355 1.00 0.00 C ATOM 177 O ILE A 12 14.601 -2.077 3.024 1.00 0.00 O ATOM 178 CB ILE A 12 12.873 -1.283 0.611 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.550 -1.383 -0.899 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.039 -0.151 1.251 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.239 -2.120 -1.136 1.00 0.00 C ATOM 0 H ILE A 12 14.836 -3.002 0.259 1.00 0.00 H new ATOM 0 HA ILE A 12 14.618 -0.068 0.455 1.00 0.00 H new ATOM 0 HB ILE A 12 12.610 -2.234 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.490 -0.383 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.359 -1.902 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.980 -0.330 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.221 -0.128 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.327 0.805 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.040 -2.174 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.310 -3.129 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.427 -1.586 -0.642 1.00 0.00 H new ATOM 193 N GLU A 13 15.064 0.107 2.884 1.00 0.00 N ATOM 194 CA GLU A 13 15.376 0.330 4.299 1.00 0.00 C ATOM 195 C GLU A 13 14.155 0.815 5.106 1.00 0.00 C ATOM 196 O GLU A 13 13.287 1.533 4.597 1.00 0.00 O ATOM 197 CB GLU A 13 16.542 1.328 4.414 1.00 0.00 C ATOM 198 CG GLU A 13 17.903 0.759 3.974 1.00 0.00 C ATOM 199 CD GLU A 13 18.590 -0.117 5.044 1.00 0.00 C ATOM 200 OE1 GLU A 13 17.912 -0.639 5.960 1.00 0.00 O ATOM 201 OE2 GLU A 13 19.832 -0.283 4.968 1.00 0.00 O ATOM 0 H GLU A 13 15.157 0.954 2.323 1.00 0.00 H new ATOM 0 HA GLU A 13 15.668 -0.627 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.315 2.206 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.618 1.664 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.763 0.167 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.565 1.585 3.715 1.00 0.00 H new ATOM 208 N TRP A 14 14.125 0.452 6.391 1.00 0.00 N ATOM 209 CA TRP A 14 13.132 0.881 7.386 1.00 0.00 C ATOM 210 C TRP A 14 13.745 0.842 8.807 1.00 0.00 C ATOM 211 O TRP A 14 14.537 -0.068 9.081 1.00 0.00 O ATOM 212 CB TRP A 14 11.889 -0.017 7.292 1.00 0.00 C ATOM 213 CG TRP A 14 10.800 0.300 8.269 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.522 -0.398 9.392 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.871 1.428 8.263 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.491 0.211 10.079 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.058 1.352 9.435 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.671 2.538 7.416 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.082 2.314 9.737 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.698 3.513 7.712 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.900 3.400 8.865 1.00 0.00 C ATOM 0 H TRP A 14 14.823 -0.178 6.787 1.00 0.00 H new ATOM 0 HA TRP A 14 12.833 1.909 7.181 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.483 0.056 6.283 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.196 -1.053 7.438 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.030 -1.298 9.705 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.098 -0.139 10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.274 2.642 6.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.479 2.221 10.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.564 4.354 7.048 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.149 4.146 9.079 1.00 0.00 H new ATOM 232 N PRO A 15 13.430 1.784 9.723 1.00 0.00 N ATOM 233 CA PRO A 15 14.051 1.837 11.051 1.00 0.00 C ATOM 234 C PRO A 15 13.821 0.571 11.894 1.00 0.00 C ATOM 235 O PRO A 15 12.721 0.012 11.923 1.00 0.00 O ATOM 236 CB PRO A 15 13.484 3.087 11.736 1.00 0.00 C ATOM 237 CG PRO A 15 13.115 3.984 10.557 1.00 0.00 C ATOM 238 CD PRO A 15 12.608 2.973 9.534 1.00 0.00 C ATOM 0 HA PRO A 15 15.135 1.888 10.948 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.616 2.852 12.352 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.219 3.559 12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.350 4.713 10.823 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.974 4.544 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.553 2.750 9.692 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.704 3.359 8.519 1.00 0.00 H new ATOM 246 N GLY A 16 14.864 0.125 12.601 1.00 0.00 N ATOM 247 CA GLY A 16 14.824 -1.060 13.469 1.00 0.00 C ATOM 248 C GLY A 16 14.756 -2.413 12.738 1.00 0.00 C ATOM 249 O GLY A 16 14.478 -3.430 13.379 1.00 0.00 O ATOM 0 H GLY A 16 15.775 0.583 12.587 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.710 -1.054 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.959 -0.978 14.127 1.00 0.00 H new ATOM 253 N ALA A 17 14.998 -2.445 11.422 1.00 0.00 N ATOM 254 CA ALA A 17 14.930 -3.643 10.579 1.00 0.00 C ATOM 255 C ALA A 17 16.084 -3.725 9.557 1.00 0.00 C ATOM 256 O ALA A 17 16.677 -2.713 9.172 1.00 0.00 O ATOM 257 CB ALA A 17 13.563 -3.673 9.880 1.00 0.00 C ATOM 0 H ALA A 17 15.255 -1.609 10.898 1.00 0.00 H new ATOM 0 HA ALA A 17 15.043 -4.519 11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.497 -4.559 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.772 -3.701 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.449 -2.780 9.265 1.00 0.00 H new ATOM 263 N TYR A 18 16.385 -4.943 9.099 1.00 0.00 N ATOM 264 CA TYR A 18 17.291 -5.205 7.972 1.00 0.00 C ATOM 265 C TYR A 18 16.637 -4.811 6.627 1.00 0.00 C ATOM 266 O TYR A 18 15.402 -4.807 6.531 1.00 0.00 O ATOM 267 CB TYR A 18 17.679 -6.692 7.975 1.00 0.00 C ATOM 268 CG TYR A 18 18.338 -7.167 9.259 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.667 -6.793 9.542 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.627 -7.973 10.171 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.284 -7.221 10.734 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.241 -8.403 11.364 1.00 0.00 C ATOM 273 CZ TYR A 18 19.572 -8.027 11.649 1.00 0.00 C ATOM 274 OH TYR A 18 20.176 -8.438 12.799 1.00 0.00 O ATOM 0 H TYR A 18 15.999 -5.794 9.508 1.00 0.00 H new ATOM 0 HA TYR A 18 18.188 -4.596 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.784 -7.289 7.798 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.357 -6.880 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.214 -6.177 8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.609 -8.262 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.302 -6.932 10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.694 -9.020 12.061 1.00 0.00 H new ATOM 0 HH TYR A 18 19.551 -8.984 13.320 1.00 0.00 H new ATOM 284 N PRO A 19 17.419 -4.503 5.572 1.00 0.00 N ATOM 285 CA PRO A 19 16.872 -4.079 4.285 1.00 0.00 C ATOM 286 C PRO A 19 16.078 -5.199 3.599 1.00 0.00 C ATOM 287 O PRO A 19 16.567 -6.320 3.425 1.00 0.00 O ATOM 288 CB PRO A 19 18.063 -3.614 3.440 1.00 0.00 C ATOM 289 CG PRO A 19 19.257 -4.339 4.063 1.00 0.00 C ATOM 290 CD PRO A 19 18.874 -4.476 5.537 1.00 0.00 C ATOM 0 HA PRO A 19 16.155 -3.269 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 19 17.937 -3.880 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.185 -2.532 3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 19 19.420 -5.312 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.179 -3.770 3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.292 -5.387 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.263 -3.642 6.121 1.00 0.00 H new ATOM 298 N LYS A 20 14.851 -4.883 3.174 1.00 0.00 N ATOM 299 CA LYS A 20 13.974 -5.758 2.389 1.00 0.00 C ATOM 300 C LYS A 20 14.397 -5.734 0.919 1.00 0.00 C ATOM 301 O LYS A 20 14.162 -4.751 0.214 1.00 0.00 O ATOM 302 CB LYS A 20 12.512 -5.322 2.608 1.00 0.00 C ATOM 303 CG LYS A 20 11.504 -6.099 1.749 1.00 0.00 C ATOM 304 CD LYS A 20 10.060 -5.790 2.175 1.00 0.00 C ATOM 305 CE LYS A 20 9.010 -6.392 1.228 1.00 0.00 C ATOM 306 NZ LYS A 20 9.048 -7.879 1.182 1.00 0.00 N ATOM 0 H LYS A 20 14.425 -3.978 3.374 1.00 0.00 H new ATOM 0 HA LYS A 20 14.060 -6.794 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.257 -5.452 3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.422 -4.259 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.640 -5.840 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.692 -7.169 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.895 -6.173 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.924 -4.709 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.018 -6.070 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.168 -5.999 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.318 -8.225 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.984 -8.192 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.869 -8.260 2.133 1.00 0.00 H new ATOM 320 N LEU A 21 15.028 -6.813 0.458 1.00 0.00 N ATOM 321 CA LEU A 21 15.294 -7.044 -0.964 1.00 0.00 C ATOM 322 C LEU A 21 13.996 -7.474 -1.664 1.00 0.00 C ATOM 323 O LEU A 21 13.345 -8.430 -1.233 1.00 0.00 O ATOM 324 CB LEU A 21 16.393 -8.112 -1.131 1.00 0.00 C ATOM 325 CG LEU A 21 17.810 -7.592 -0.824 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.767 -8.764 -0.607 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.355 -6.749 -1.981 1.00 0.00 C ATOM 0 H LEU A 21 15.372 -7.558 1.064 1.00 0.00 H new ATOM 0 HA LEU A 21 15.649 -6.122 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.173 -8.953 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.368 -8.491 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 21 17.742 -6.979 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.765 -8.383 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.419 -9.367 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.800 -9.378 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.356 -6.397 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.397 -7.356 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.700 -5.894 -2.148 1.00 0.00 H new ATOM 339 N MET A 22 13.626 -6.787 -2.746 1.00 0.00 N ATOM 340 CA MET A 22 12.480 -7.140 -3.598 1.00 0.00 C ATOM 341 C MET A 22 12.675 -6.641 -5.037 1.00 0.00 C ATOM 342 O MET A 22 13.671 -5.989 -5.341 1.00 0.00 O ATOM 343 CB MET A 22 11.170 -6.627 -2.968 1.00 0.00 C ATOM 344 CG MET A 22 10.901 -5.131 -3.145 1.00 0.00 C ATOM 345 SD MET A 22 9.298 -4.636 -2.459 1.00 0.00 S ATOM 346 CE MET A 22 8.164 -5.259 -3.728 1.00 0.00 C ATOM 0 H MET A 22 14.121 -5.954 -3.064 1.00 0.00 H new ATOM 0 HA MET A 22 12.412 -8.226 -3.659 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.337 -7.183 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.186 -6.853 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.693 -4.561 -2.659 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.933 -4.881 -4.205 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.154 -4.907 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.479 -4.897 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.176 -6.349 -3.723 1.00 0.00 H new ATOM 356 N GLU A 23 11.731 -6.931 -5.934 1.00 0.00 N ATOM 357 CA GLU A 23 11.771 -6.499 -7.338 1.00 0.00 C ATOM 358 C GLU A 23 10.602 -5.566 -7.687 1.00 0.00 C ATOM 359 O GLU A 23 9.436 -5.877 -7.434 1.00 0.00 O ATOM 360 CB GLU A 23 11.807 -7.720 -8.267 1.00 0.00 C ATOM 361 CG GLU A 23 13.186 -8.400 -8.261 1.00 0.00 C ATOM 362 CD GLU A 23 13.221 -9.697 -9.094 1.00 0.00 C ATOM 363 OE1 GLU A 23 12.258 -10.502 -9.045 1.00 0.00 O ATOM 364 OE2 GLU A 23 14.238 -9.939 -9.790 1.00 0.00 O ATOM 0 H GLU A 23 10.903 -7.481 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 23 12.685 -5.923 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.047 -8.436 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.558 -7.412 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.930 -7.705 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.469 -8.627 -7.233 1.00 0.00 H new ATOM 371 N ILE A 24 10.929 -4.429 -8.304 1.00 0.00 N ATOM 372 CA ILE A 24 9.980 -3.487 -8.905 1.00 0.00 C ATOM 373 C ILE A 24 9.805 -3.851 -10.382 1.00 0.00 C ATOM 374 O ILE A 24 10.714 -3.668 -11.195 1.00 0.00 O ATOM 375 CB ILE A 24 10.455 -2.026 -8.694 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.341 -1.683 -7.190 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.665 -1.017 -9.556 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.799 -0.270 -6.813 1.00 0.00 C ATOM 0 H ILE A 24 11.898 -4.127 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 24 9.007 -3.559 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 24 11.493 -1.948 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.303 -1.807 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.930 -2.403 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.037 -0.010 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.792 -1.262 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.607 -1.066 -9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.681 -0.124 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.847 -0.143 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.195 0.463 -7.347 1.00 0.00 H new ATOM 390 N ASP A 25 8.633 -4.379 -10.727 1.00 0.00 N ATOM 391 CA ASP A 25 8.195 -4.558 -12.113 1.00 0.00 C ATOM 392 C ASP A 25 7.584 -3.240 -12.597 1.00 0.00 C ATOM 393 O ASP A 25 6.595 -2.770 -12.028 1.00 0.00 O ATOM 394 CB ASP A 25 7.188 -5.718 -12.181 1.00 0.00 C ATOM 395 CG ASP A 25 6.607 -6.001 -13.579 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.855 -5.223 -14.529 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.876 -7.010 -13.715 1.00 0.00 O ATOM 0 H ASP A 25 7.949 -4.700 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 25 9.032 -4.812 -12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.675 -6.623 -11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.365 -5.504 -11.500 1.00 0.00 H new ATOM 402 N GLN A 26 8.149 -2.636 -13.644 1.00 0.00 N ATOM 403 CA GLN A 26 7.691 -1.340 -14.153 1.00 0.00 C ATOM 404 C GLN A 26 6.273 -1.378 -14.768 1.00 0.00 C ATOM 405 O GLN A 26 5.682 -0.321 -14.997 1.00 0.00 O ATOM 406 CB GLN A 26 8.741 -0.740 -15.107 1.00 0.00 C ATOM 407 CG GLN A 26 10.142 -0.534 -14.486 1.00 0.00 C ATOM 408 CD GLN A 26 10.249 0.575 -13.430 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.289 1.009 -12.805 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.437 1.084 -13.186 1.00 0.00 N ATOM 0 H GLN A 26 8.935 -3.029 -14.162 1.00 0.00 H new ATOM 0 HA GLN A 26 7.592 -0.675 -13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.837 -1.392 -15.975 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.375 0.221 -15.469 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.459 -1.473 -14.033 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.846 -0.314 -15.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.253 0.740 -13.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.542 1.822 -12.490 1.00 0.00 H new ATOM 419 N LYS A 27 5.694 -2.571 -14.995 1.00 0.00 N ATOM 420 CA LYS A 27 4.286 -2.767 -15.397 1.00 0.00 C ATOM 421 C LYS A 27 3.305 -2.846 -14.212 1.00 0.00 C ATOM 422 O LYS A 27 2.120 -2.562 -14.402 1.00 0.00 O ATOM 423 CB LYS A 27 4.160 -4.034 -16.268 1.00 0.00 C ATOM 424 CG LYS A 27 5.063 -4.058 -17.514 1.00 0.00 C ATOM 425 CD LYS A 27 4.687 -2.993 -18.559 1.00 0.00 C ATOM 426 CE LYS A 27 5.668 -3.021 -19.737 1.00 0.00 C ATOM 427 NZ LYS A 27 6.963 -2.384 -19.383 1.00 0.00 N ATOM 0 H LYS A 27 6.204 -3.449 -14.902 1.00 0.00 H new ATOM 0 HA LYS A 27 4.005 -1.882 -15.968 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.391 -4.904 -15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.123 -4.136 -16.587 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.098 -3.906 -17.207 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.008 -5.044 -17.975 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.674 -3.171 -18.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.693 -2.005 -18.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.841 -4.053 -20.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.228 -2.504 -20.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.738 -2.883 -19.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.954 -1.388 -19.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.104 -2.434 -18.354 1.00 0.00 H new ATOM 441 N LYS A 28 3.759 -3.212 -13.002 1.00 0.00 N ATOM 442 CA LYS A 28 2.922 -3.244 -11.781 1.00 0.00 C ATOM 443 C LYS A 28 2.729 -1.837 -11.198 1.00 0.00 C ATOM 444 O LYS A 28 3.694 -1.070 -11.179 1.00 0.00 O ATOM 445 CB LYS A 28 3.531 -4.168 -10.711 1.00 0.00 C ATOM 446 CG LYS A 28 3.236 -5.649 -10.985 1.00 0.00 C ATOM 447 CD LYS A 28 3.915 -6.589 -9.975 1.00 0.00 C ATOM 448 CE LYS A 28 3.432 -6.398 -8.532 1.00 0.00 C ATOM 449 NZ LYS A 28 4.079 -7.378 -7.625 1.00 0.00 N ATOM 0 H LYS A 28 4.724 -3.497 -12.838 1.00 0.00 H new ATOM 0 HA LYS A 28 1.948 -3.638 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.610 -4.015 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.136 -3.896 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.158 -5.811 -10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.571 -5.901 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.735 -7.621 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.993 -6.430 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.657 -5.385 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.349 -6.515 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.830 -7.156 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.750 -8.337 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.111 -7.329 -7.741 1.00 0.00 H new ATOM 463 N PRO A 29 1.539 -1.482 -10.680 1.00 0.00 N ATOM 464 CA PRO A 29 1.289 -0.179 -10.060 1.00 0.00 C ATOM 465 C PRO A 29 2.047 -0.028 -8.740 1.00 0.00 C ATOM 466 O PRO A 29 2.154 -0.978 -7.958 1.00 0.00 O ATOM 467 CB PRO A 29 -0.226 -0.117 -9.838 1.00 0.00 C ATOM 468 CG PRO A 29 -0.643 -1.581 -9.718 1.00 0.00 C ATOM 469 CD PRO A 29 0.362 -2.333 -10.585 1.00 0.00 C ATOM 0 HA PRO A 29 1.639 0.636 -10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.475 0.444 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.731 0.375 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.608 -1.921 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.664 -1.734 -10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.614 -3.296 -10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.052 -2.535 -11.573 1.00 0.00 H new ATOM 477 N LEU A 30 2.522 1.184 -8.450 1.00 0.00 N ATOM 478 CA LEU A 30 3.238 1.469 -7.204 1.00 0.00 C ATOM 479 C LEU A 30 2.376 1.236 -5.958 1.00 0.00 C ATOM 480 O LEU A 30 2.917 0.804 -4.949 1.00 0.00 O ATOM 481 CB LEU A 30 3.782 2.904 -7.228 1.00 0.00 C ATOM 482 CG LEU A 30 5.016 3.050 -8.134 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.209 4.521 -8.463 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.292 2.529 -7.466 1.00 0.00 C ATOM 0 H LEU A 30 2.423 1.991 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 30 4.069 0.767 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.000 3.580 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.042 3.208 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 30 4.841 2.458 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.082 4.639 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.325 4.898 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.359 5.083 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.135 2.654 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.478 3.089 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.172 1.472 -7.227 1.00 0.00 H new ATOM 496 N SER A 31 1.054 1.429 -6.017 1.00 0.00 N ATOM 497 CA SER A 31 0.154 1.108 -4.894 1.00 0.00 C ATOM 498 C SER A 31 0.229 -0.376 -4.503 1.00 0.00 C ATOM 499 O SER A 31 0.429 -0.694 -3.327 1.00 0.00 O ATOM 500 CB SER A 31 -1.283 1.510 -5.249 1.00 0.00 C ATOM 501 OG SER A 31 -2.186 1.189 -4.202 1.00 0.00 O ATOM 0 H SER A 31 0.577 1.808 -6.835 1.00 0.00 H new ATOM 0 HA SER A 31 0.481 1.680 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.323 2.580 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.589 1.002 -6.163 1.00 0.00 H new ATOM 0 HG SER A 31 -2.290 1.963 -3.611 1.00 0.00 H new ATOM 507 N ALA A 32 0.176 -1.294 -5.480 1.00 0.00 N ATOM 508 CA ALA A 32 0.322 -2.731 -5.223 1.00 0.00 C ATOM 509 C ALA A 32 1.729 -3.094 -4.710 1.00 0.00 C ATOM 510 O ALA A 32 1.865 -3.899 -3.787 1.00 0.00 O ATOM 511 CB ALA A 32 -0.014 -3.506 -6.502 1.00 0.00 C ATOM 0 H ALA A 32 0.032 -1.062 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.373 -3.010 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.092 -4.575 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.040 -3.289 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.666 -3.205 -7.299 1.00 0.00 H new ATOM 517 N ILE A 33 2.774 -2.466 -5.263 1.00 0.00 N ATOM 518 CA ILE A 33 4.164 -2.658 -4.820 1.00 0.00 C ATOM 519 C ILE A 33 4.340 -2.172 -3.372 1.00 0.00 C ATOM 520 O ILE A 33 4.851 -2.913 -2.543 1.00 0.00 O ATOM 521 CB ILE A 33 5.141 -1.961 -5.796 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.086 -2.647 -7.184 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.584 -1.963 -5.255 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.794 -1.868 -8.298 1.00 0.00 C ATOM 0 H ILE A 33 2.680 -1.806 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 33 4.400 -3.722 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 33 4.828 -0.922 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.536 -3.637 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.043 -2.792 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.241 -1.465 -5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.616 -1.435 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.917 -2.991 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.709 -2.416 -9.236 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.331 -0.888 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.847 -1.745 -8.044 1.00 0.00 H new ATOM 536 N ILE A 34 3.874 -0.967 -3.028 1.00 0.00 N ATOM 537 CA ILE A 34 3.965 -0.386 -1.675 1.00 0.00 C ATOM 538 C ILE A 34 3.181 -1.232 -0.659 1.00 0.00 C ATOM 539 O ILE A 34 3.667 -1.448 0.454 1.00 0.00 O ATOM 540 CB ILE A 34 3.506 1.095 -1.699 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.524 1.962 -2.482 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.341 1.674 -0.281 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.942 3.290 -2.983 1.00 0.00 C ATOM 0 H ILE A 34 3.411 -0.350 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 34 5.005 -0.399 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 34 2.535 1.118 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.381 2.169 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.894 1.392 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.018 2.713 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.594 1.096 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.294 1.623 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.711 3.844 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.103 3.091 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.598 3.880 -2.134 1.00 0.00 H new ATOM 555 N LYS A 35 2.026 -1.792 -1.048 1.00 0.00 N ATOM 556 CA LYS A 35 1.286 -2.777 -0.240 1.00 0.00 C ATOM 557 C LYS A 35 2.125 -4.031 0.051 1.00 0.00 C ATOM 558 O LYS A 35 2.130 -4.524 1.177 1.00 0.00 O ATOM 559 CB LYS A 35 -0.046 -3.112 -0.935 1.00 0.00 C ATOM 560 CG LYS A 35 -1.017 -3.825 0.016 1.00 0.00 C ATOM 561 CD LYS A 35 -2.357 -4.105 -0.677 1.00 0.00 C ATOM 562 CE LYS A 35 -3.326 -4.768 0.309 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.634 -5.072 -0.327 1.00 0.00 N ATOM 0 H LYS A 35 1.575 -1.574 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 35 1.066 -2.338 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.505 -2.195 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.145 -3.744 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.576 -4.762 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.182 -3.211 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.785 -3.175 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.202 -4.753 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.884 -5.688 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.481 -4.111 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.263 -5.519 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.067 -4.190 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.488 -5.719 -1.128 1.00 0.00 H new ATOM 577 N GLU A 36 2.897 -4.509 -0.924 1.00 0.00 N ATOM 578 CA GLU A 36 3.847 -5.611 -0.770 1.00 0.00 C ATOM 579 C GLU A 36 5.119 -5.231 0.024 1.00 0.00 C ATOM 580 O GLU A 36 5.713 -6.107 0.657 1.00 0.00 O ATOM 581 CB GLU A 36 4.181 -6.142 -2.172 1.00 0.00 C ATOM 582 CG GLU A 36 3.042 -7.013 -2.729 1.00 0.00 C ATOM 583 CD GLU A 36 3.273 -7.457 -4.186 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.006 -6.786 -4.949 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.698 -8.493 -4.603 1.00 0.00 O ATOM 0 H GLU A 36 2.879 -4.129 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 36 3.381 -6.391 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.364 -5.305 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.101 -6.725 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.929 -7.896 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.106 -6.457 -2.670 1.00 0.00 H new ATOM 592 N VAL A 37 5.517 -3.949 0.067 1.00 0.00 N ATOM 593 CA VAL A 37 6.582 -3.468 0.971 1.00 0.00 C ATOM 594 C VAL A 37 6.111 -3.509 2.428 1.00 0.00 C ATOM 595 O VAL A 37 6.707 -4.203 3.251 1.00 0.00 O ATOM 596 CB VAL A 37 7.094 -2.042 0.657 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.291 -1.717 1.561 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.574 -1.843 -0.778 1.00 0.00 C ATOM 0 H VAL A 37 5.114 -3.218 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 37 7.417 -4.149 0.808 1.00 0.00 H new ATOM 0 HB VAL A 37 6.236 -1.391 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.652 -0.712 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.983 -1.770 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.089 -2.437 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.915 -0.816 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.397 -2.527 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.754 -2.044 -1.467 1.00 0.00 H new ATOM 608 N CYS A 38 5.052 -2.757 2.752 1.00 0.00 N ATOM 609 CA CYS A 38 4.606 -2.526 4.131 1.00 0.00 C ATOM 610 C CYS A 38 4.138 -3.817 4.826 1.00 0.00 C ATOM 611 O CYS A 38 4.426 -4.004 6.008 1.00 0.00 O ATOM 612 CB CYS A 38 3.536 -1.422 4.135 1.00 0.00 C ATOM 613 SG CYS A 38 2.065 -1.899 3.203 1.00 0.00 S ATOM 0 H CYS A 38 4.474 -2.286 2.056 1.00 0.00 H new ATOM 0 HA CYS A 38 5.456 -2.187 4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.255 -1.194 5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.955 -0.510 3.709 1.00 0.00 H new ATOM 0 HG CYS A 38 2.335 -2.935 2.466 1.00 0.00 H new ATOM 619 N ASP A 39 3.522 -4.756 4.096 1.00 0.00 N ATOM 620 CA ASP A 39 3.157 -6.084 4.609 1.00 0.00 C ATOM 621 C ASP A 39 4.379 -6.904 5.078 1.00 0.00 C ATOM 622 O ASP A 39 4.277 -7.682 6.028 1.00 0.00 O ATOM 623 CB ASP A 39 2.392 -6.840 3.512 1.00 0.00 C ATOM 624 CG ASP A 39 1.846 -8.199 3.985 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.192 -8.260 5.053 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.032 -9.207 3.261 1.00 0.00 O ATOM 0 H ASP A 39 3.260 -4.614 3.121 1.00 0.00 H new ATOM 0 HA ASP A 39 2.529 -5.946 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.563 -6.223 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.052 -6.997 2.659 1.00 0.00 H new ATOM 631 N GLY A 40 5.558 -6.680 4.481 1.00 0.00 N ATOM 632 CA GLY A 40 6.826 -7.298 4.890 1.00 0.00 C ATOM 633 C GLY A 40 7.290 -6.907 6.302 1.00 0.00 C ATOM 634 O GLY A 40 8.008 -7.676 6.946 1.00 0.00 O ATOM 0 H GLY A 40 5.658 -6.051 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.722 -8.382 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.600 -7.020 4.175 1.00 0.00 H new ATOM 638 N TRP A 41 6.833 -5.756 6.807 1.00 0.00 N ATOM 639 CA TRP A 41 7.034 -5.276 8.182 1.00 0.00 C ATOM 640 C TRP A 41 5.722 -5.171 8.990 1.00 0.00 C ATOM 641 O TRP A 41 5.705 -4.596 10.080 1.00 0.00 O ATOM 642 CB TRP A 41 7.819 -3.956 8.124 1.00 0.00 C ATOM 643 CG TRP A 41 9.213 -4.061 7.578 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.184 -4.879 8.048 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.817 -3.335 6.462 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.334 -4.720 7.300 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.169 -3.771 6.316 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.362 -2.348 5.561 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.024 -3.256 5.332 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.215 -1.822 4.572 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.538 -2.275 4.455 1.00 0.00 C ATOM 0 H TRP A 41 6.288 -5.103 6.244 1.00 0.00 H new ATOM 0 HA TRP A 41 7.617 -6.013 8.734 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.260 -3.247 7.514 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.871 -3.539 9.130 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.075 -5.555 8.883 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.197 -5.240 7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.345 -1.991 5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.041 -3.609 5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.848 -1.063 3.897 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.182 -1.868 3.690 1.00 0.00 H new ATOM 662 N SER A 42 4.617 -5.730 8.473 1.00 0.00 N ATOM 663 CA SER A 42 3.262 -5.675 9.054 1.00 0.00 C ATOM 664 C SER A 42 2.740 -4.242 9.317 1.00 0.00 C ATOM 665 O SER A 42 1.954 -4.002 10.238 1.00 0.00 O ATOM 666 CB SER A 42 3.172 -6.610 10.273 1.00 0.00 C ATOM 667 OG SER A 42 1.827 -6.862 10.653 1.00 0.00 O ATOM 0 H SER A 42 4.642 -6.257 7.600 1.00 0.00 H new ATOM 0 HA SER A 42 2.569 -6.048 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.666 -7.554 10.043 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.708 -6.165 11.111 1.00 0.00 H new ATOM 0 HG SER A 42 1.324 -6.021 10.655 1.00 0.00 H new ATOM 673 N LEU A 43 3.189 -3.267 8.519 1.00 0.00 N ATOM 674 CA LEU A 43 2.793 -1.857 8.601 1.00 0.00 C ATOM 675 C LEU A 43 1.417 -1.638 7.941 1.00 0.00 C ATOM 676 O LEU A 43 1.171 -2.096 6.823 1.00 0.00 O ATOM 677 CB LEU A 43 3.896 -0.999 7.952 1.00 0.00 C ATOM 678 CG LEU A 43 5.217 -0.957 8.743 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.323 -0.393 7.854 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.117 -0.096 10.002 1.00 0.00 C ATOM 0 H LEU A 43 3.861 -3.444 7.773 1.00 0.00 H new ATOM 0 HA LEU A 43 2.686 -1.555 9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.097 -1.383 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.525 0.019 7.833 1.00 0.00 H new ATOM 0 HG LEU A 43 5.441 -1.979 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.259 -0.363 8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.444 -1.029 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.057 0.615 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.075 -0.100 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.859 0.926 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.346 -0.499 10.658 1.00 0.00 H new ATOM 692 N ALA A 44 0.515 -0.946 8.642 1.00 0.00 N ATOM 693 CA ALA A 44 -0.860 -0.688 8.207 1.00 0.00 C ATOM 694 C ALA A 44 -0.984 0.486 7.209 1.00 0.00 C ATOM 695 O ALA A 44 -0.090 1.327 7.100 1.00 0.00 O ATOM 696 CB ALA A 44 -1.716 -0.450 9.460 1.00 0.00 C ATOM 0 H ALA A 44 0.727 -0.539 9.553 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.215 -1.559 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.747 -0.255 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.682 -1.334 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.327 0.408 10.009 1.00 0.00 H new ATOM 702 N ASN A 45 -2.140 0.565 6.534 1.00 0.00 N ATOM 703 CA ASN A 45 -2.577 1.680 5.676 1.00 0.00 C ATOM 704 C ASN A 45 -1.552 2.066 4.588 1.00 0.00 C ATOM 705 O ASN A 45 -0.964 3.149 4.623 1.00 0.00 O ATOM 706 CB ASN A 45 -3.013 2.874 6.554 1.00 0.00 C ATOM 707 CG ASN A 45 -4.089 2.520 7.567 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.130 1.967 7.238 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.874 2.808 8.831 1.00 0.00 N ATOM 0 H ASN A 45 -2.831 -0.184 6.573 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.442 1.341 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.143 3.264 7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.380 3.673 5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.574 2.571 9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.007 3.269 9.109 1.00 0.00 H new ATOM 716 N HIS A 46 -1.344 1.194 3.591 1.00 0.00 N ATOM 717 CA HIS A 46 -0.335 1.387 2.544 1.00 0.00 C ATOM 718 C HIS A 46 -0.593 2.636 1.680 1.00 0.00 C ATOM 719 O HIS A 46 0.339 3.182 1.095 1.00 0.00 O ATOM 720 CB HIS A 46 -0.274 0.110 1.695 1.00 0.00 C ATOM 721 CG HIS A 46 -1.327 0.029 0.624 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.636 -0.442 0.755 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.150 0.501 -0.636 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.204 -0.260 -0.454 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.330 0.302 -1.308 1.00 0.00 N ATOM 0 H HIS A 46 -1.876 0.330 3.489 1.00 0.00 H new ATOM 0 HA HIS A 46 0.630 1.568 3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.709 0.045 1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.373 -0.754 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.251 0.948 -1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.220 -0.528 -0.702 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.512 0.539 -2.283 1.00 0.00 H new ATOM 733 N GLU A 47 -1.837 3.129 1.659 1.00 0.00 N ATOM 734 CA GLU A 47 -2.246 4.401 1.047 1.00 0.00 C ATOM 735 C GLU A 47 -1.443 5.608 1.567 1.00 0.00 C ATOM 736 O GLU A 47 -1.227 6.573 0.832 1.00 0.00 O ATOM 737 CB GLU A 47 -3.732 4.662 1.363 1.00 0.00 C ATOM 738 CG GLU A 47 -4.723 3.579 0.903 1.00 0.00 C ATOM 739 CD GLU A 47 -4.821 3.400 -0.629 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.401 4.296 -1.400 1.00 0.00 O ATOM 741 OE2 GLU A 47 -5.372 2.363 -1.071 1.00 0.00 O ATOM 0 H GLU A 47 -2.619 2.633 2.085 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.063 4.303 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.837 4.787 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.019 5.607 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.432 2.627 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.712 3.823 1.290 1.00 0.00 H new ATOM 748 N TYR A 48 -0.994 5.564 2.829 1.00 0.00 N ATOM 749 CA TYR A 48 -0.202 6.631 3.451 1.00 0.00 C ATOM 750 C TYR A 48 1.264 6.619 3.000 1.00 0.00 C ATOM 751 O TYR A 48 1.960 7.622 3.160 1.00 0.00 O ATOM 752 CB TYR A 48 -0.215 6.482 4.981 1.00 0.00 C ATOM 753 CG TYR A 48 -1.541 6.488 5.728 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.502 6.256 7.115 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.781 6.731 5.098 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.686 6.248 7.873 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.973 6.693 5.846 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.931 6.455 7.238 1.00 0.00 C ATOM 759 OH TYR A 48 -5.088 6.431 7.956 1.00 0.00 O ATOM 0 H TYR A 48 -1.173 4.777 3.453 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.661 7.569 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.290 5.546 5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.394 7.287 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.554 6.082 7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.815 6.946 4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.644 6.084 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.922 6.846 5.354 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.847 6.593 7.358 1.00 0.00 H new ATOM 769 N PHE A 49 1.757 5.487 2.495 1.00 0.00 N ATOM 770 CA PHE A 49 3.173 5.243 2.224 1.00 0.00 C ATOM 771 C PHE A 49 3.592 5.540 0.778 1.00 0.00 C ATOM 772 O PHE A 49 2.790 5.561 -0.157 1.00 0.00 O ATOM 773 CB PHE A 49 3.545 3.817 2.655 1.00 0.00 C ATOM 774 CG PHE A 49 3.738 3.688 4.155 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.640 3.439 5.001 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.019 3.866 4.711 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.819 3.388 6.394 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.195 3.819 6.104 1.00 0.00 C ATOM 779 CZ PHE A 49 4.097 3.578 6.948 1.00 0.00 C ATOM 0 H PHE A 49 1.164 4.692 2.257 1.00 0.00 H new ATOM 0 HA PHE A 49 3.741 5.956 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.763 3.129 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.462 3.517 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.658 3.287 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.868 4.039 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.973 3.203 7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.177 3.969 6.528 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.235 3.539 8.018 1.00 0.00 H new ATOM 789 N ALA A 50 4.896 5.751 0.627 1.00 0.00 N ATOM 790 CA ALA A 50 5.634 5.946 -0.608 1.00 0.00 C ATOM 791 C ALA A 50 7.054 5.374 -0.456 1.00 0.00 C ATOM 792 O ALA A 50 7.596 5.273 0.649 1.00 0.00 O ATOM 793 CB ALA A 50 5.667 7.449 -0.930 1.00 0.00 C ATOM 0 H ALA A 50 5.513 5.793 1.438 1.00 0.00 H new ATOM 0 HA ALA A 50 5.149 5.422 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.219 7.611 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.648 7.819 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.158 7.985 -0.117 1.00 0.00 H new ATOM 799 N LEU A 51 7.660 4.986 -1.576 1.00 0.00 N ATOM 800 CA LEU A 51 9.085 4.677 -1.640 1.00 0.00 C ATOM 801 C LEU A 51 9.866 5.975 -1.898 1.00 0.00 C ATOM 802 O LEU A 51 9.340 6.923 -2.485 1.00 0.00 O ATOM 803 CB LEU A 51 9.324 3.610 -2.721 1.00 0.00 C ATOM 804 CG LEU A 51 8.986 2.181 -2.253 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.966 1.234 -3.453 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.013 1.654 -1.248 1.00 0.00 C ATOM 0 H LEU A 51 7.175 4.877 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 51 9.442 4.264 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.722 3.850 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.368 3.645 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 51 8.009 2.222 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.727 0.225 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.212 1.567 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.945 1.234 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.739 0.644 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.000 1.638 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.033 2.304 -0.373 1.00 0.00 H new ATOM 818 N GLN A 52 11.127 6.020 -1.478 1.00 0.00 N ATOM 819 CA GLN A 52 12.019 7.168 -1.661 1.00 0.00 C ATOM 820 C GLN A 52 13.457 6.699 -1.900 1.00 0.00 C ATOM 821 O GLN A 52 13.883 5.696 -1.330 1.00 0.00 O ATOM 822 CB GLN A 52 11.893 8.086 -0.430 1.00 0.00 C ATOM 823 CG GLN A 52 12.643 9.419 -0.572 1.00 0.00 C ATOM 824 CD GLN A 52 12.516 10.314 0.656 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.399 9.878 1.794 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.620 11.609 0.491 1.00 0.00 N ATOM 0 H GLN A 52 11.570 5.242 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 52 11.733 7.737 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.838 8.291 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.271 7.558 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.698 9.217 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.262 9.952 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.719 11.997 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.603 12.229 1.301 1.00 0.00 H new ATOM 835 N HIS A 53 14.218 7.421 -2.724 1.00 0.00 N ATOM 836 CA HIS A 53 15.646 7.140 -2.940 1.00 0.00 C ATOM 837 C HIS A 53 16.464 7.332 -1.656 1.00 0.00 C ATOM 838 O HIS A 53 16.350 8.362 -0.989 1.00 0.00 O ATOM 839 CB HIS A 53 16.204 8.018 -4.070 1.00 0.00 C ATOM 840 CG HIS A 53 15.917 7.488 -5.453 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.651 6.487 -6.096 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.920 7.906 -6.283 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.083 6.334 -7.306 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.045 7.176 -7.446 1.00 0.00 N ATOM 0 H HIS A 53 13.868 8.215 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 53 15.733 6.094 -3.232 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.783 9.019 -3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.283 8.113 -3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.177 8.661 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.414 5.634 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.451 7.261 -8.271 1.00 0.00 H new ATOM 852 N ALA A 54 17.318 6.360 -1.325 1.00 0.00 N ATOM 853 CA ALA A 54 18.219 6.423 -0.170 1.00 0.00 C ATOM 854 C ALA A 54 19.698 6.612 -0.564 1.00 0.00 C ATOM 855 O ALA A 54 20.462 7.216 0.191 1.00 0.00 O ATOM 856 CB ALA A 54 18.010 5.152 0.655 1.00 0.00 C ATOM 0 H ALA A 54 17.405 5.495 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 54 17.975 7.305 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.668 5.170 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 54 16.973 5.100 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.240 4.279 0.043 1.00 0.00 H new ATOM 862 N ASP A 55 20.104 6.131 -1.744 1.00 0.00 N ATOM 863 CA ASP A 55 21.490 6.226 -2.231 1.00 0.00 C ATOM 864 C ASP A 55 21.919 7.669 -2.583 1.00 0.00 C ATOM 865 O ASP A 55 23.064 8.055 -2.338 1.00 0.00 O ATOM 866 CB ASP A 55 21.636 5.311 -3.458 1.00 0.00 C ATOM 867 CG ASP A 55 23.086 5.218 -3.968 1.00 0.00 C ATOM 868 OD1 ASP A 55 23.295 5.312 -5.202 1.00 0.00 O ATOM 869 OD2 ASP A 55 24.015 5.014 -3.151 1.00 0.00 O ATOM 0 H ASP A 55 19.476 5.660 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 55 22.151 5.908 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.281 4.312 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.997 5.682 -4.260 1.00 0.00 H new ATOM 874 N SER A 56 21.008 8.474 -3.146 1.00 0.00 N ATOM 875 CA SER A 56 21.262 9.861 -3.574 1.00 0.00 C ATOM 876 C SER A 56 19.970 10.675 -3.742 1.00 0.00 C ATOM 877 O SER A 56 18.919 10.119 -4.064 1.00 0.00 O ATOM 878 CB SER A 56 22.042 9.854 -4.899 1.00 0.00 C ATOM 879 OG SER A 56 22.333 11.173 -5.334 1.00 0.00 O ATOM 0 H SER A 56 20.049 8.174 -3.322 1.00 0.00 H new ATOM 0 HA SER A 56 21.846 10.341 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.971 9.297 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.461 9.337 -5.663 1.00 0.00 H new ATOM 0 HG SER A 56 22.831 11.137 -6.178 1.00 0.00 H new ATOM 885 N SER A 57 20.058 11.996 -3.545 1.00 0.00 N ATOM 886 CA SER A 57 19.057 13.049 -3.844 1.00 0.00 C ATOM 887 C SER A 57 17.672 12.978 -3.167 1.00 0.00 C ATOM 888 O SER A 57 16.983 13.998 -3.110 1.00 0.00 O ATOM 889 CB SER A 57 18.899 13.204 -5.363 1.00 0.00 C ATOM 890 OG SER A 57 20.148 13.494 -5.978 1.00 0.00 O ATOM 0 H SER A 57 20.901 12.399 -3.137 1.00 0.00 H new ATOM 0 HA SER A 57 19.495 13.930 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.486 12.288 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.189 14.002 -5.579 1.00 0.00 H new ATOM 0 HG SER A 57 20.759 12.739 -5.849 1.00 0.00 H new ATOM 896 N ASN A 58 17.262 11.832 -2.615 1.00 0.00 N ATOM 897 CA ASN A 58 16.036 11.645 -1.822 1.00 0.00 C ATOM 898 C ASN A 58 14.725 12.038 -2.537 1.00 0.00 C ATOM 899 O ASN A 58 13.774 12.494 -1.902 1.00 0.00 O ATOM 900 CB ASN A 58 16.221 12.240 -0.409 1.00 0.00 C ATOM 901 CG ASN A 58 17.478 11.773 0.311 1.00 0.00 C ATOM 902 OD1 ASN A 58 18.237 12.564 0.854 1.00 0.00 O ATOM 903 ND2 ASN A 58 17.765 10.487 0.335 1.00 0.00 N ATOM 0 H ASN A 58 17.797 10.969 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 58 15.891 10.572 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.244 13.327 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.353 11.982 0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.611 10.162 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.141 9.817 -0.114 1.00 0.00 H new ATOM 910 N PHE A 59 14.639 11.821 -3.853 1.00 0.00 N ATOM 911 CA PHE A 59 13.372 11.942 -4.585 1.00 0.00 C ATOM 912 C PHE A 59 12.385 10.842 -4.152 1.00 0.00 C ATOM 913 O PHE A 59 12.766 9.674 -4.021 1.00 0.00 O ATOM 914 CB PHE A 59 13.608 11.874 -6.102 1.00 0.00 C ATOM 915 CG PHE A 59 14.646 12.835 -6.656 1.00 0.00 C ATOM 916 CD1 PHE A 59 14.510 14.223 -6.459 1.00 0.00 C ATOM 917 CD2 PHE A 59 15.736 12.341 -7.399 1.00 0.00 C ATOM 918 CE1 PHE A 59 15.460 15.111 -6.998 1.00 0.00 C ATOM 919 CE2 PHE A 59 16.680 13.229 -7.945 1.00 0.00 C ATOM 920 CZ PHE A 59 16.543 14.614 -7.744 1.00 0.00 C ATOM 0 H PHE A 59 15.434 11.560 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 59 12.938 12.913 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.908 10.858 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.660 12.063 -6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.674 14.607 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.847 11.277 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.357 16.174 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.511 12.847 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.269 15.295 -8.162 1.00 0.00 H new ATOM 930 N TYR A 60 11.114 11.200 -3.950 1.00 0.00 N ATOM 931 CA TYR A 60 10.030 10.230 -3.752 1.00 0.00 C ATOM 932 C TYR A 60 9.708 9.508 -5.071 1.00 0.00 C ATOM 933 O TYR A 60 9.772 10.104 -6.150 1.00 0.00 O ATOM 934 CB TYR A 60 8.779 10.920 -3.194 1.00 0.00 C ATOM 935 CG TYR A 60 8.926 11.417 -1.767 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.619 10.556 -0.694 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.355 12.734 -1.511 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.730 11.014 0.633 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.481 13.190 -0.183 1.00 0.00 C ATOM 940 CZ TYR A 60 9.169 12.332 0.892 1.00 0.00 C ATOM 941 OH TYR A 60 9.276 12.786 2.172 1.00 0.00 O ATOM 0 H TYR A 60 10.806 12.172 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 60 10.361 9.489 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.526 11.764 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.942 10.223 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.298 9.544 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.588 13.395 -2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.479 10.358 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.817 14.198 0.011 1.00 0.00 H new ATOM 0 HH TYR A 60 9.593 13.713 2.165 1.00 0.00 H new ATOM 951 N ILE A 61 9.346 8.229 -4.997 1.00 0.00 N ATOM 952 CA ILE A 61 8.973 7.417 -6.160 1.00 0.00 C ATOM 953 C ILE A 61 7.499 7.640 -6.521 1.00 0.00 C ATOM 954 O ILE A 61 6.618 7.648 -5.658 1.00 0.00 O ATOM 955 CB ILE A 61 9.313 5.931 -5.918 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.798 5.713 -5.543 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.946 5.067 -7.137 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.822 6.362 -6.486 1.00 0.00 C ATOM 0 H ILE A 61 9.302 7.717 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 61 9.560 7.735 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 61 8.709 5.617 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.961 6.100 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.992 4.641 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.198 4.026 -6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.877 5.150 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.503 5.412 -8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.830 6.148 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.697 5.959 -7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.666 7.441 -6.506 1.00 0.00 H new ATOM 970 N THR A 62 7.245 7.811 -7.817 1.00 0.00 N ATOM 971 CA THR A 62 5.936 8.094 -8.430 1.00 0.00 C ATOM 972 C THR A 62 5.863 7.408 -9.793 1.00 0.00 C ATOM 973 O THR A 62 6.886 6.985 -10.335 1.00 0.00 O ATOM 974 CB THR A 62 5.704 9.607 -8.622 1.00 0.00 C ATOM 975 OG1 THR A 62 6.547 10.097 -9.643 1.00 0.00 O ATOM 976 CG2 THR A 62 5.950 10.453 -7.373 1.00 0.00 C ATOM 0 H THR A 62 7.988 7.754 -8.514 1.00 0.00 H new ATOM 0 HA THR A 62 5.165 7.715 -7.759 1.00 0.00 H new ATOM 0 HB THR A 62 4.648 9.700 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.393 11.058 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.763 11.502 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.279 10.130 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.984 10.331 -7.049 1.00 0.00 H new ATOM 984 N GLU A 63 4.678 7.336 -10.404 1.00 0.00 N ATOM 985 CA GLU A 63 4.520 6.789 -11.763 1.00 0.00 C ATOM 986 C GLU A 63 5.291 7.594 -12.837 1.00 0.00 C ATOM 987 O GLU A 63 5.558 7.074 -13.924 1.00 0.00 O ATOM 988 CB GLU A 63 3.023 6.662 -12.106 1.00 0.00 C ATOM 989 CG GLU A 63 2.228 5.707 -11.187 1.00 0.00 C ATOM 990 CD GLU A 63 2.661 4.226 -11.248 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.248 3.435 -10.366 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.408 3.829 -12.173 1.00 0.00 O ATOM 0 H GLU A 63 3.806 7.651 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 63 4.969 5.796 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.568 7.652 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.928 6.316 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.323 6.055 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.172 5.772 -11.449 1.00 0.00 H new ATOM 999 N LYS A 64 5.709 8.834 -12.525 1.00 0.00 N ATOM 1000 CA LYS A 64 6.610 9.669 -13.342 1.00 0.00 C ATOM 1001 C LYS A 64 8.103 9.442 -13.038 1.00 0.00 C ATOM 1002 O LYS A 64 8.920 9.508 -13.957 1.00 0.00 O ATOM 1003 CB LYS A 64 6.208 11.142 -13.142 1.00 0.00 C ATOM 1004 CG LYS A 64 6.928 12.098 -14.106 1.00 0.00 C ATOM 1005 CD LYS A 64 6.422 13.536 -13.937 1.00 0.00 C ATOM 1006 CE LYS A 64 7.154 14.470 -14.908 1.00 0.00 C ATOM 1007 NZ LYS A 64 6.684 15.874 -14.778 1.00 0.00 N ATOM 0 H LYS A 64 5.418 9.300 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 64 6.494 9.381 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.131 11.241 -13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.428 11.437 -12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.002 12.063 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.769 11.771 -15.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.348 13.576 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.582 13.868 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.226 14.426 -14.717 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.998 14.127 -15.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.201 16.477 -15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.666 15.920 -14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.856 16.209 -13.809 1.00 0.00 H new ATOM 1021 N ASN A 65 8.468 9.166 -11.781 1.00 0.00 N ATOM 1022 CA ASN A 65 9.865 9.068 -11.319 1.00 0.00 C ATOM 1023 C ASN A 65 10.449 7.643 -11.357 1.00 0.00 C ATOM 1024 O ASN A 65 11.666 7.477 -11.450 1.00 0.00 O ATOM 1025 CB ASN A 65 9.964 9.637 -9.888 1.00 0.00 C ATOM 1026 CG ASN A 65 9.700 11.131 -9.768 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.580 11.873 -10.734 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.629 11.626 -8.554 1.00 0.00 N ATOM 0 H ASN A 65 7.789 9.000 -11.038 1.00 0.00 H new ATOM 0 HA ASN A 65 10.464 9.650 -12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.255 9.106 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.960 9.427 -9.498 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.474 12.625 -8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.728 11.011 -7.746 1.00 0.00 H new ATOM 1035 N ARG A 66 9.607 6.603 -11.278 1.00 0.00 N ATOM 1036 CA ARG A 66 10.010 5.186 -11.124 1.00 0.00 C ATOM 1037 C ARG A 66 10.944 4.635 -12.208 1.00 0.00 C ATOM 1038 O ARG A 66 11.705 3.707 -11.942 1.00 0.00 O ATOM 1039 CB ARG A 66 8.744 4.322 -11.015 1.00 0.00 C ATOM 1040 CG ARG A 66 7.855 4.393 -12.274 1.00 0.00 C ATOM 1041 CD ARG A 66 6.575 3.572 -12.127 1.00 0.00 C ATOM 1042 NE ARG A 66 6.861 2.153 -11.881 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.971 1.235 -11.583 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.696 1.459 -11.591 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.349 0.037 -11.259 1.00 0.00 N ATOM 0 H ARG A 66 8.595 6.721 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 66 10.609 5.143 -10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.032 3.286 -10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.165 4.644 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.596 5.433 -12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.418 4.033 -13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.980 3.970 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.975 3.670 -13.032 1.00 0.00 H new ATOM 0 HE ARG A 66 7.834 1.855 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.342 2.384 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.045 0.711 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.342 -0.195 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.653 -0.672 -11.028 1.00 0.00 H new ATOM 1059 N ASN A 67 10.924 5.211 -13.408 1.00 0.00 N ATOM 1060 CA ASN A 67 11.826 4.857 -14.513 1.00 0.00 C ATOM 1061 C ASN A 67 13.303 5.239 -14.251 1.00 0.00 C ATOM 1062 O ASN A 67 14.193 4.729 -14.931 1.00 0.00 O ATOM 1063 CB ASN A 67 11.293 5.478 -15.819 1.00 0.00 C ATOM 1064 CG ASN A 67 11.021 6.967 -15.696 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.922 7.788 -15.615 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.768 7.352 -15.617 1.00 0.00 N ATOM 0 H ASN A 67 10.268 5.954 -13.649 1.00 0.00 H new ATOM 0 HA ASN A 67 11.833 3.771 -14.603 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.016 5.310 -16.617 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.374 4.968 -16.109 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.545 8.339 -15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.018 6.664 -15.685 1.00 0.00 H new ATOM 1073 N GLU A 68 13.585 6.094 -13.260 1.00 0.00 N ATOM 1074 CA GLU A 68 14.952 6.427 -12.828 1.00 0.00 C ATOM 1075 C GLU A 68 15.588 5.349 -11.925 1.00 0.00 C ATOM 1076 O GLU A 68 16.812 5.343 -11.755 1.00 0.00 O ATOM 1077 CB GLU A 68 14.974 7.791 -12.115 1.00 0.00 C ATOM 1078 CG GLU A 68 14.482 8.939 -13.016 1.00 0.00 C ATOM 1079 CD GLU A 68 14.685 10.329 -12.380 1.00 0.00 C ATOM 1080 OE1 GLU A 68 15.774 10.606 -11.820 1.00 0.00 O ATOM 1081 OE2 GLU A 68 13.764 11.177 -12.472 1.00 0.00 O ATOM 0 H GLU A 68 12.863 6.581 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 68 15.555 6.473 -13.735 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.349 7.741 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.989 8.006 -11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.011 8.900 -13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.424 8.795 -13.234 1.00 0.00 H new ATOM 1088 N ILE A 69 14.788 4.432 -11.360 1.00 0.00 N ATOM 1089 CA ILE A 69 15.256 3.293 -10.555 1.00 0.00 C ATOM 1090 C ILE A 69 16.033 2.306 -11.439 1.00 0.00 C ATOM 1091 O ILE A 69 15.627 2.009 -12.568 1.00 0.00 O ATOM 1092 CB ILE A 69 14.072 2.584 -9.849 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.303 3.562 -8.928 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.557 1.362 -9.045 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.040 2.957 -8.305 1.00 0.00 C ATOM 0 H ILE A 69 13.773 4.463 -11.452 1.00 0.00 H new ATOM 0 HA ILE A 69 15.924 3.671 -9.781 1.00 0.00 H new ATOM 0 HB ILE A 69 13.390 2.237 -10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.967 3.895 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.027 4.446 -9.502 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.706 0.884 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.038 0.651 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.271 1.685 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.554 3.700 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.355 2.650 -9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.311 2.090 -7.703 1.00 0.00 H new ATOM 1107 N LYS A 70 17.131 1.766 -10.900 1.00 0.00 N ATOM 1108 CA LYS A 70 18.027 0.806 -11.569 1.00 0.00 C ATOM 1109 C LYS A 70 18.238 -0.453 -10.726 1.00 0.00 C ATOM 1110 O LYS A 70 17.993 -0.448 -9.517 1.00 0.00 O ATOM 1111 CB LYS A 70 19.362 1.502 -11.911 1.00 0.00 C ATOM 1112 CG LYS A 70 19.166 2.753 -12.785 1.00 0.00 C ATOM 1113 CD LYS A 70 20.472 3.524 -13.011 1.00 0.00 C ATOM 1114 CE LYS A 70 20.207 4.874 -13.694 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.502 5.835 -12.801 1.00 0.00 N ATOM 0 H LYS A 70 17.434 1.991 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 70 17.560 0.475 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.869 1.783 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.013 0.798 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.751 2.457 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.437 3.411 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.971 3.688 -12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.148 2.929 -13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.154 5.308 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.611 4.713 -14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.482 6.774 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.528 5.508 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.003 5.896 -11.892 1.00 0.00 H new ATOM 1129 N ASN A 71 18.701 -1.536 -11.345 1.00 0.00 N ATOM 1130 CA ASN A 71 18.938 -2.802 -10.650 1.00 0.00 C ATOM 1131 C ASN A 71 20.006 -2.640 -9.543 1.00 0.00 C ATOM 1132 O ASN A 71 21.147 -2.264 -9.818 1.00 0.00 O ATOM 1133 CB ASN A 71 19.315 -3.869 -11.692 1.00 0.00 C ATOM 1134 CG ASN A 71 19.237 -5.268 -11.111 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.183 -5.715 -10.684 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.331 -5.992 -11.058 1.00 0.00 N ATOM 0 H ASN A 71 18.923 -1.563 -12.340 1.00 0.00 H new ATOM 0 HA ASN A 71 18.031 -3.126 -10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.647 -3.793 -12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.325 -3.682 -12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.303 -6.931 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.209 -5.616 -11.415 1.00 0.00 H new ATOM 1143 N GLY A 72 19.622 -2.912 -8.292 1.00 0.00 N ATOM 1144 CA GLY A 72 20.440 -2.710 -7.090 1.00 0.00 C ATOM 1145 C GLY A 72 20.264 -1.352 -6.385 1.00 0.00 C ATOM 1146 O GLY A 72 21.053 -1.035 -5.494 1.00 0.00 O ATOM 0 H GLY A 72 18.700 -3.293 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.208 -3.502 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.489 -2.824 -7.363 1.00 0.00 H new ATOM 1150 N THR A 73 19.258 -0.541 -6.749 1.00 0.00 N ATOM 1151 CA THR A 73 18.991 0.763 -6.097 1.00 0.00 C ATOM 1152 C THR A 73 18.611 0.592 -4.621 1.00 0.00 C ATOM 1153 O THR A 73 17.739 -0.217 -4.286 1.00 0.00 O ATOM 1154 CB THR A 73 17.883 1.554 -6.818 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.280 1.840 -8.137 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.560 2.908 -6.187 1.00 0.00 C ATOM 0 H THR A 73 18.605 -0.764 -7.500 1.00 0.00 H new ATOM 0 HA THR A 73 19.921 1.328 -6.161 1.00 0.00 H new ATOM 0 HB THR A 73 17.004 0.913 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.396 1.003 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.770 3.396 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.227 2.760 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.452 3.534 -6.193 1.00 0.00 H new ATOM 1164 N ILE A 74 19.231 1.382 -3.735 1.00 0.00 N ATOM 1165 CA ILE A 74 18.861 1.457 -2.315 1.00 0.00 C ATOM 1166 C ILE A 74 17.739 2.492 -2.134 1.00 0.00 C ATOM 1167 O ILE A 74 17.878 3.657 -2.526 1.00 0.00 O ATOM 1168 CB ILE A 74 20.074 1.758 -1.404 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.300 0.877 -1.751 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.676 1.545 0.071 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.573 1.268 -0.993 1.00 0.00 C ATOM 0 H ILE A 74 20.009 1.992 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 74 18.494 0.479 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 74 20.363 2.796 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.062 -0.164 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.491 0.941 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.531 1.757 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.855 2.215 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.360 0.512 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.389 0.608 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.836 2.299 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.401 1.176 0.079 1.00 0.00 H new ATOM 1183 N LEU A 75 16.635 2.068 -1.523 1.00 0.00 N ATOM 1184 CA LEU A 75 15.434 2.862 -1.251 1.00 0.00 C ATOM 1185 C LEU A 75 15.115 2.889 0.255 1.00 0.00 C ATOM 1186 O LEU A 75 15.703 2.154 1.047 1.00 0.00 O ATOM 1187 CB LEU A 75 14.241 2.276 -2.042 1.00 0.00 C ATOM 1188 CG LEU A 75 14.374 2.232 -3.577 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.109 1.615 -4.174 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.540 3.621 -4.191 1.00 0.00 C ATOM 0 H LEU A 75 16.547 1.110 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 75 15.614 3.888 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.066 1.260 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.353 2.857 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 75 15.263 1.642 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.198 1.582 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.981 0.603 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.245 2.220 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.629 3.532 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.671 4.233 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.438 4.091 -3.790 1.00 0.00 H new ATOM 1202 N ARG A 76 14.137 3.707 0.647 1.00 0.00 N ATOM 1203 CA ARG A 76 13.505 3.743 1.975 1.00 0.00 C ATOM 1204 C ARG A 76 11.986 3.738 1.846 1.00 0.00 C ATOM 1205 O ARG A 76 11.440 4.372 0.941 1.00 0.00 O ATOM 1206 CB ARG A 76 13.929 5.004 2.749 1.00 0.00 C ATOM 1207 CG ARG A 76 15.220 4.830 3.561 1.00 0.00 C ATOM 1208 CD ARG A 76 15.576 6.068 4.399 1.00 0.00 C ATOM 1209 NE ARG A 76 15.841 7.270 3.575 1.00 0.00 N ATOM 1210 CZ ARG A 76 14.979 8.214 3.233 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.731 8.196 3.600 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.344 9.216 2.490 1.00 0.00 N ATOM 0 H ARG A 76 13.740 4.402 0.015 1.00 0.00 H new ATOM 0 HA ARG A 76 13.831 2.856 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.063 5.824 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.123 5.293 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.113 3.970 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.043 4.610 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.759 6.280 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.455 5.849 5.005 1.00 0.00 H new ATOM 0 HE ARG A 76 16.795 7.383 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.380 7.431 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.104 8.947 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.307 9.283 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.667 9.935 2.235 1.00 0.00 H new ATOM 1226 N LEU A 77 11.311 3.059 2.770 1.00 0.00 N ATOM 1227 CA LEU A 77 9.865 3.184 2.962 1.00 0.00 C ATOM 1228 C LEU A 77 9.598 4.412 3.849 1.00 0.00 C ATOM 1229 O LEU A 77 10.304 4.636 4.835 1.00 0.00 O ATOM 1230 CB LEU A 77 9.315 1.880 3.563 1.00 0.00 C ATOM 1231 CG LEU A 77 7.820 1.899 3.909 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.967 1.936 2.637 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.442 0.649 4.690 1.00 0.00 C ATOM 0 H LEU A 77 11.753 2.401 3.412 1.00 0.00 H new ATOM 0 HA LEU A 77 9.348 3.337 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.498 1.069 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.878 1.650 4.468 1.00 0.00 H new ATOM 0 HG LEU A 77 7.634 2.791 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.911 1.949 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.206 2.832 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.176 1.053 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.379 0.677 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.656 -0.234 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.020 0.608 5.613 1.00 0.00 H new ATOM 1245 N THR A 78 8.601 5.224 3.502 1.00 0.00 N ATOM 1246 CA THR A 78 8.302 6.491 4.189 1.00 0.00 C ATOM 1247 C THR A 78 6.843 6.906 3.968 1.00 0.00 C ATOM 1248 O THR A 78 6.242 6.534 2.961 1.00 0.00 O ATOM 1249 CB THR A 78 9.299 7.574 3.726 1.00 0.00 C ATOM 1250 OG1 THR A 78 9.009 8.806 4.345 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.341 7.793 2.210 1.00 0.00 C ATOM 0 H THR A 78 7.968 5.023 2.728 1.00 0.00 H new ATOM 0 HA THR A 78 8.423 6.359 5.264 1.00 0.00 H new ATOM 0 HB THR A 78 10.278 7.199 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.650 9.483 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.068 8.571 1.975 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.630 6.865 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.355 8.099 1.859 1.00 0.00 H new ATOM 1259 N THR A 79 6.228 7.646 4.894 1.00 0.00 N ATOM 1260 CA THR A 79 4.898 8.238 4.653 1.00 0.00 C ATOM 1261 C THR A 79 4.991 9.404 3.658 1.00 0.00 C ATOM 1262 O THR A 79 5.899 10.236 3.720 1.00 0.00 O ATOM 1263 CB THR A 79 4.178 8.655 5.946 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.017 9.414 6.797 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.666 7.442 6.727 1.00 0.00 C ATOM 0 H THR A 79 6.621 7.852 5.812 1.00 0.00 H new ATOM 0 HA THR A 79 4.284 7.455 4.209 1.00 0.00 H new ATOM 0 HB THR A 79 3.333 9.268 5.632 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.524 9.662 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.163 7.779 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.964 6.882 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.506 6.801 6.994 1.00 0.00 H new ATOM 1273 N SER A 80 4.050 9.455 2.715 1.00 0.00 N ATOM 1274 CA SER A 80 4.027 10.389 1.583 1.00 0.00 C ATOM 1275 C SER A 80 3.906 11.864 2.016 1.00 0.00 C ATOM 1276 O SER A 80 3.175 12.159 2.970 1.00 0.00 O ATOM 1277 CB SER A 80 2.859 10.009 0.663 1.00 0.00 C ATOM 1278 OG SER A 80 2.684 10.957 -0.375 1.00 0.00 O ATOM 0 H SER A 80 3.250 8.823 2.717 1.00 0.00 H new ATOM 0 HA SER A 80 4.980 10.305 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.040 9.025 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.943 9.936 1.249 1.00 0.00 H new ATOM 0 HG SER A 80 1.934 10.685 -0.944 1.00 0.00 H new ATOM 1284 N PRO A 81 4.532 12.823 1.301 1.00 0.00 N ATOM 1285 CA PRO A 81 4.332 14.258 1.533 1.00 0.00 C ATOM 1286 C PRO A 81 2.887 14.731 1.261 1.00 0.00 C ATOM 1287 O PRO A 81 2.526 15.843 1.651 1.00 0.00 O ATOM 1288 CB PRO A 81 5.344 14.958 0.618 1.00 0.00 C ATOM 1289 CG PRO A 81 5.526 13.971 -0.533 1.00 0.00 C ATOM 1290 CD PRO A 81 5.434 12.623 0.173 1.00 0.00 C ATOM 0 HA PRO A 81 4.489 14.501 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.970 15.920 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.285 15.151 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.752 14.085 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.485 14.103 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.053 11.855 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.416 12.292 0.512 1.00 0.00 H new ATOM 1298 N ALA A 82 2.042 13.902 0.631 1.00 0.00 N ATOM 1299 CA ALA A 82 0.611 14.159 0.446 1.00 0.00 C ATOM 1300 C ALA A 82 -0.233 14.036 1.740 1.00 0.00 C ATOM 1301 O ALA A 82 -1.397 14.449 1.749 1.00 0.00 O ATOM 1302 CB ALA A 82 0.097 13.203 -0.638 1.00 0.00 C ATOM 0 H ALA A 82 2.344 13.015 0.228 1.00 0.00 H new ATOM 0 HA ALA A 82 0.496 15.200 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.968 13.372 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.636 13.384 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.257 12.173 -0.320 1.00 0.00 H new ATOM 1308 N GLN A 83 0.318 13.476 2.828 1.00 0.00 N ATOM 1309 CA GLN A 83 -0.368 13.358 4.126 1.00 0.00 C ATOM 1310 C GLN A 83 -0.673 14.732 4.764 1.00 0.00 C ATOM 1311 O GLN A 83 0.051 15.711 4.562 1.00 0.00 O ATOM 1312 CB GLN A 83 0.452 12.469 5.081 1.00 0.00 C ATOM 1313 CG GLN A 83 0.549 10.999 4.632 1.00 0.00 C ATOM 1314 CD GLN A 83 -0.789 10.266 4.689 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -1.455 10.051 3.685 1.00 0.00 O ATOM 1316 NE2 GLN A 83 -1.248 9.872 5.858 1.00 0.00 N ATOM 0 H GLN A 83 1.261 13.088 2.832 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.333 12.885 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.458 12.879 5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.003 12.507 6.073 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.934 10.961 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.269 10.479 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.704 10.044 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.147 9.395 5.918 1.00 0.00 H new ATOM 1325 N ASN A 84 -1.763 14.803 5.537 1.00 0.00 N ATOM 1326 CA ASN A 84 -2.298 16.043 6.119 1.00 0.00 C ATOM 1327 C ASN A 84 -1.403 16.654 7.227 1.00 0.00 C ATOM 1328 O ASN A 84 -0.626 15.950 7.879 1.00 0.00 O ATOM 1329 CB ASN A 84 -3.726 15.746 6.623 1.00 0.00 C ATOM 1330 CG ASN A 84 -4.504 16.998 7.001 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -4.400 18.040 6.370 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -5.292 16.949 8.051 1.00 0.00 N ATOM 0 H ASN A 84 -2.313 13.979 5.782 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.317 16.811 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.272 15.207 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.668 15.087 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.814 17.778 8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.382 16.082 8.581 1.00 0.00 H new ATOM 1339 N ALA A 85 -1.553 17.962 7.467 1.00 0.00 N ATOM 1340 CA ALA A 85 -0.859 18.735 8.505 1.00 0.00 C ATOM 1341 C ALA A 85 -1.752 19.857 9.084 1.00 0.00 C ATOM 1342 O ALA A 85 -2.716 20.293 8.445 1.00 0.00 O ATOM 1343 CB ALA A 85 0.444 19.294 7.916 1.00 0.00 C ATOM 0 H ALA A 85 -2.191 18.537 6.917 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.624 18.077 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.969 19.871 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.076 18.470 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.213 19.939 7.068 1.00 0.00 H new ATOM 1349 N GLN A 86 -1.442 20.325 10.298 1.00 0.00 N ATOM 1350 CA GLN A 86 -2.227 21.346 11.013 1.00 0.00 C ATOM 1351 C GLN A 86 -2.126 22.758 10.399 1.00 0.00 C ATOM 1352 O GLN A 86 -1.175 23.089 9.686 1.00 0.00 O ATOM 1353 CB GLN A 86 -1.837 21.363 12.505 1.00 0.00 C ATOM 1354 CG GLN A 86 -0.407 21.858 12.800 1.00 0.00 C ATOM 1355 CD GLN A 86 -0.260 22.343 14.241 1.00 0.00 C ATOM 1356 OE1 GLN A 86 0.225 21.640 15.119 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -0.679 23.555 14.547 1.00 0.00 N ATOM 0 H GLN A 86 -0.628 20.003 10.822 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.274 21.060 10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.543 21.997 13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.946 20.355 12.905 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.302 21.052 12.614 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -0.155 22.669 12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -1.085 24.151 13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.597 23.896 15.505 1.00 0.00 H new ATOM 1366 N GLN A 87 -3.098 23.614 10.733 1.00 0.00 N ATOM 1367 CA GLN A 87 -3.069 25.058 10.451 1.00 0.00 C ATOM 1368 C GLN A 87 -2.133 25.806 11.425 1.00 0.00 C ATOM 1369 O GLN A 87 -1.822 25.313 12.515 1.00 0.00 O ATOM 1370 CB GLN A 87 -4.495 25.634 10.520 1.00 0.00 C ATOM 1371 CG GLN A 87 -5.434 25.025 9.462 1.00 0.00 C ATOM 1372 CD GLN A 87 -6.827 25.661 9.435 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -7.188 26.525 10.226 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -7.678 25.253 8.516 1.00 0.00 N ATOM 0 H GLN A 87 -3.946 23.318 11.217 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.675 25.200 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.908 25.454 11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.453 26.715 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.976 25.132 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.536 23.956 9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.400 24.535 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.614 25.655 8.474 1.00 0.00 H new ATOM 1383 N LEU A 88 -1.696 27.011 11.045 1.00 0.00 N ATOM 1384 CA LEU A 88 -0.905 27.910 11.895 1.00 0.00 C ATOM 1385 C LEU A 88 -1.766 28.612 12.963 1.00 0.00 C ATOM 1386 O LEU A 88 -2.931 28.940 12.727 1.00 0.00 O ATOM 1387 CB LEU A 88 -0.169 28.940 11.022 1.00 0.00 C ATOM 1388 CG LEU A 88 0.816 28.343 9.998 1.00 0.00 C ATOM 1389 CD1 LEU A 88 1.502 29.485 9.256 1.00 0.00 C ATOM 1390 CD2 LEU A 88 1.905 27.481 10.643 1.00 0.00 C ATOM 0 H LEU A 88 -1.885 27.397 10.120 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.174 27.304 12.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.909 29.535 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.377 29.622 11.674 1.00 0.00 H new ATOM 0 HG LEU A 88 0.235 27.705 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.202 29.077 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.753 30.087 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.042 30.109 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.566 27.090 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.482 28.087 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.443 26.651 11.178 1.00 0.00 H new ATOM 1402 N HIS A 89 -1.169 28.888 14.128 1.00 0.00 N ATOM 1403 CA HIS A 89 -1.808 29.575 15.270 1.00 0.00 C ATOM 1404 C HIS A 89 -1.737 31.119 15.228 1.00 0.00 C ATOM 1405 O HIS A 89 -2.068 31.785 16.210 1.00 0.00 O ATOM 1406 CB HIS A 89 -1.245 28.999 16.585 1.00 0.00 C ATOM 1407 CG HIS A 89 0.227 29.230 16.883 1.00 0.00 C ATOM 1408 ND1 HIS A 89 0.881 28.734 18.015 1.00 0.00 N ATOM 1409 CD2 HIS A 89 1.135 29.932 16.137 1.00 0.00 C ATOM 1410 CE1 HIS A 89 2.158 29.144 17.927 1.00 0.00 C ATOM 1411 NE2 HIS A 89 2.337 29.865 16.808 1.00 0.00 N ATOM 0 H HIS A 89 -0.199 28.634 14.314 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.877 29.372 15.203 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.824 29.416 17.409 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.422 27.924 16.583 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.946 30.440 15.203 1.00 0.00 H new ATOM 0 HE1 HIS A 89 2.929 28.925 18.651 1.00 0.00 H new ATOM 0 HE2 HIS A 89 3.213 30.291 16.506 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.270 31.699 14.118 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.058 33.148 13.955 1.00 0.00 C ATOM 1421 C GLU A 90 -2.363 33.976 13.908 1.00 0.00 C ATOM 1422 O GLU A 90 -3.445 33.463 13.595 1.00 0.00 O ATOM 1423 CB GLU A 90 -0.174 33.409 12.720 1.00 0.00 C ATOM 1424 CG GLU A 90 -0.823 33.024 11.377 1.00 0.00 C ATOM 1425 CD GLU A 90 0.043 33.397 10.154 1.00 0.00 C ATOM 1426 OE1 GLU A 90 1.286 33.536 10.273 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -0.526 33.549 9.044 1.00 0.00 O ATOM 0 H GLU A 90 -1.022 31.164 13.286 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.543 33.494 14.851 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.087 34.467 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.757 32.854 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.012 31.951 11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.791 33.519 11.293 1.00 0.00 H new ATOM 1434 N ARG A 91 -2.247 35.282 14.192 1.00 0.00 N ATOM 1435 CA ARG A 91 -3.333 36.274 14.207 1.00 0.00 C ATOM 1436 C ARG A 91 -2.848 37.628 13.672 1.00 0.00 C ATOM 1437 O ARG A 91 -1.728 38.043 13.976 1.00 0.00 O ATOM 1438 CB ARG A 91 -3.851 36.401 15.654 1.00 0.00 C ATOM 1439 CG ARG A 91 -5.160 37.194 15.732 1.00 0.00 C ATOM 1440 CD ARG A 91 -5.686 37.327 17.167 1.00 0.00 C ATOM 1441 NE ARG A 91 -4.856 38.245 17.973 1.00 0.00 N ATOM 1442 CZ ARG A 91 -5.040 38.587 19.234 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -6.016 38.114 19.957 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -4.221 39.431 19.787 1.00 0.00 N ATOM 0 H ARG A 91 -1.346 35.696 14.430 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.142 35.947 13.554 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.005 35.406 16.072 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.094 36.890 16.267 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.004 38.188 15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.914 36.704 15.117 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.713 37.690 17.145 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.705 36.345 17.639 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.052 38.660 17.503 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.676 37.451 19.551 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.119 38.407 20.929 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.448 39.820 19.247 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.351 39.704 20.761 1.00 0.00 H new ATOM 1458 N ILE A 92 -3.694 38.339 12.923 1.00 0.00 N ATOM 1459 CA ILE A 92 -3.447 39.736 12.524 1.00 0.00 C ATOM 1460 C ILE A 92 -3.622 40.634 13.760 1.00 0.00 C ATOM 1461 O ILE A 92 -4.732 40.783 14.276 1.00 0.00 O ATOM 1462 CB ILE A 92 -4.367 40.158 11.351 1.00 0.00 C ATOM 1463 CG1 ILE A 92 -4.087 39.283 10.104 1.00 0.00 C ATOM 1464 CG2 ILE A 92 -4.176 41.652 11.015 1.00 0.00 C ATOM 1465 CD1 ILE A 92 -5.060 39.510 8.939 1.00 0.00 C ATOM 0 H ILE A 92 -4.575 37.964 12.572 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.427 39.843 12.154 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.402 40.007 11.657 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.072 39.480 9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.127 38.233 10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.832 41.926 10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.422 42.256 11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.139 41.831 10.730 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.791 38.858 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.076 39.284 9.264 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.005 40.550 8.616 1.00 0.00 H new ATOM 1477 N GLN A 93 -2.522 41.210 14.255 1.00 0.00 N ATOM 1478 CA GLN A 93 -2.514 42.042 15.471 1.00 0.00 C ATOM 1479 C GLN A 93 -2.913 43.509 15.208 1.00 0.00 C ATOM 1480 O GLN A 93 -3.357 44.207 16.124 1.00 0.00 O ATOM 1481 CB GLN A 93 -1.124 41.979 16.138 1.00 0.00 C ATOM 1482 CG GLN A 93 -0.503 40.577 16.314 1.00 0.00 C ATOM 1483 CD GLN A 93 -1.293 39.591 17.178 1.00 0.00 C ATOM 1484 OE1 GLN A 93 -2.397 39.830 17.651 1.00 0.00 O ATOM 1485 NE2 GLN A 93 -0.747 38.421 17.435 1.00 0.00 N ATOM 0 H GLN A 93 -1.603 41.114 13.823 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.270 41.632 16.140 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.436 42.584 15.548 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.197 42.445 17.121 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.369 40.136 15.327 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.490 40.694 16.749 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.172 38.192 17.055 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.243 37.743 18.014 1.00 0.00 H new ATOM 1494 N SER A 94 -2.749 43.985 13.967 1.00 0.00 N ATOM 1495 CA SER A 94 -3.110 45.340 13.518 1.00 0.00 C ATOM 1496 C SER A 94 -4.611 45.478 13.178 1.00 0.00 C ATOM 1497 O SER A 94 -5.390 44.527 13.307 1.00 0.00 O ATOM 1498 CB SER A 94 -2.219 45.714 12.322 1.00 0.00 C ATOM 1499 OG SER A 94 -2.258 47.110 12.058 1.00 0.00 O ATOM 0 H SER A 94 -2.347 43.419 13.220 1.00 0.00 H new ATOM 0 HA SER A 94 -2.936 46.036 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.192 45.410 12.523 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.546 45.167 11.438 1.00 0.00 H new ATOM 0 HG SER A 94 -1.680 47.315 11.293 1.00 0.00 H new ATOM 1505 N SER A 95 -5.029 46.666 12.731 1.00 0.00 N ATOM 1506 CA SER A 95 -6.371 46.941 12.194 1.00 0.00 C ATOM 1507 C SER A 95 -6.671 46.134 10.914 1.00 0.00 C ATOM 1508 O SER A 95 -5.760 45.698 10.204 1.00 0.00 O ATOM 1509 CB SER A 95 -6.514 48.448 11.941 1.00 0.00 C ATOM 1510 OG SER A 95 -7.795 48.766 11.418 1.00 0.00 O ATOM 0 H SER A 95 -4.427 47.489 12.732 1.00 0.00 H new ATOM 0 HA SER A 95 -7.105 46.621 12.934 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.354 48.992 12.872 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.743 48.776 11.244 1.00 0.00 H new ATOM 0 HG SER A 95 -7.857 49.733 11.269 1.00 0.00 H new ATOM 1516 N SER A 96 -7.959 45.948 10.601 1.00 0.00 N ATOM 1517 CA SER A 96 -8.432 45.250 9.390 1.00 0.00 C ATOM 1518 C SER A 96 -8.217 46.041 8.085 1.00 0.00 C ATOM 1519 O SER A 96 -8.327 45.469 6.998 1.00 0.00 O ATOM 1520 CB SER A 96 -9.923 44.904 9.524 1.00 0.00 C ATOM 1521 OG SER A 96 -10.155 44.032 10.624 1.00 0.00 O ATOM 0 H SER A 96 -8.720 46.284 11.191 1.00 0.00 H new ATOM 0 HA SER A 96 -7.826 44.347 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.500 45.819 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.274 44.434 8.605 1.00 0.00 H new ATOM 0 HG SER A 96 -11.112 43.831 10.686 1.00 0.00 H new ATOM 1527 N MET A 97 -7.917 47.345 8.167 1.00 0.00 N ATOM 1528 CA MET A 97 -7.609 48.198 7.006 1.00 0.00 C ATOM 1529 C MET A 97 -6.272 47.829 6.326 1.00 0.00 C ATOM 1530 O MET A 97 -5.388 47.220 6.934 1.00 0.00 O ATOM 1531 CB MET A 97 -7.637 49.679 7.422 1.00 0.00 C ATOM 1532 CG MET A 97 -6.443 50.099 8.291 1.00 0.00 C ATOM 1533 SD MET A 97 -6.539 51.779 8.976 1.00 0.00 S ATOM 1534 CE MET A 97 -6.358 52.767 7.464 1.00 0.00 C ATOM 0 H MET A 97 -7.880 47.846 9.055 1.00 0.00 H new ATOM 0 HA MET A 97 -8.382 48.023 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.658 50.299 6.526 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.560 49.876 7.968 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.348 49.392 9.115 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.534 50.018 7.695 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.325 53.825 7.723 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.435 52.488 6.956 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.206 52.581 6.804 1.00 0.00 H new ATOM 1544 N ASP A 98 -6.106 48.242 5.066 1.00 0.00 N ATOM 1545 CA ASP A 98 -4.880 48.062 4.270 1.00 0.00 C ATOM 1546 C ASP A 98 -4.631 49.249 3.309 1.00 0.00 C ATOM 1547 O ASP A 98 -5.388 50.225 3.281 1.00 0.00 O ATOM 1548 CB ASP A 98 -4.916 46.696 3.548 1.00 0.00 C ATOM 1549 CG ASP A 98 -6.039 46.497 2.511 1.00 0.00 C ATOM 1550 OD1 ASP A 98 -6.254 45.334 2.096 1.00 0.00 O ATOM 1551 OD2 ASP A 98 -6.680 47.482 2.076 1.00 0.00 O ATOM 0 H ASP A 98 -6.842 48.726 4.552 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.024 48.055 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.959 46.549 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.005 45.914 4.302 1.00 0.00 H new ATOM 1556 N ALA A 99 -3.531 49.197 2.550 1.00 0.00 N ATOM 1557 CA ALA A 99 -3.052 50.289 1.691 1.00 0.00 C ATOM 1558 C ALA A 99 -3.847 50.500 0.377 1.00 0.00 C ATOM 1559 O ALA A 99 -3.534 51.423 -0.385 1.00 0.00 O ATOM 1560 CB ALA A 99 -1.564 50.032 1.411 1.00 0.00 C ATOM 0 H ALA A 99 -2.932 48.372 2.514 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.209 51.224 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.171 50.825 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.014 50.017 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.449 49.072 0.908 1.00 0.00 H new ATOM 1566 N LYS A 100 -4.850 49.660 0.074 1.00 0.00 N ATOM 1567 CA LYS A 100 -5.649 49.726 -1.165 1.00 0.00 C ATOM 1568 C LYS A 100 -6.529 50.987 -1.221 1.00 0.00 C ATOM 1569 O LYS A 100 -7.053 51.439 -0.198 1.00 0.00 O ATOM 1570 CB LYS A 100 -6.470 48.430 -1.306 1.00 0.00 C ATOM 1571 CG LYS A 100 -7.092 48.263 -2.701 1.00 0.00 C ATOM 1572 CD LYS A 100 -7.794 46.905 -2.835 1.00 0.00 C ATOM 1573 CE LYS A 100 -8.400 46.762 -4.236 1.00 0.00 C ATOM 1574 NZ LYS A 100 -9.071 45.448 -4.411 1.00 0.00 N ATOM 0 H LYS A 100 -5.135 48.901 0.693 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.974 49.806 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.828 47.575 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.263 48.425 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.808 49.065 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.316 48.351 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.082 46.099 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.576 46.815 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.119 47.564 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.616 46.873 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.469 45.386 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.379 44.684 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.835 45.353 -3.712 1.00 0.00 H new ATOM 1588 N LEU A 101 -6.697 51.551 -2.421 1.00 0.00 N ATOM 1589 CA LEU A 101 -7.525 52.739 -2.671 1.00 0.00 C ATOM 1590 C LEU A 101 -9.030 52.460 -2.483 1.00 0.00 C ATOM 1591 O LEU A 101 -9.501 51.335 -2.660 1.00 0.00 O ATOM 1592 CB LEU A 101 -7.248 53.285 -4.088 1.00 0.00 C ATOM 1593 CG LEU A 101 -5.785 53.688 -4.368 1.00 0.00 C ATOM 1594 CD1 LEU A 101 -5.655 54.171 -5.812 1.00 0.00 C ATOM 1595 CD2 LEU A 101 -5.297 54.808 -3.446 1.00 0.00 C ATOM 0 H LEU A 101 -6.253 51.188 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.250 53.490 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.544 52.528 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.885 54.154 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.173 52.804 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.621 54.455 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.947 53.370 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.304 55.033 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.262 55.052 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.920 55.691 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.361 54.479 -2.409 1.00 0.00 H new ATOM 1607 N GLU A 102 -9.799 53.507 -2.173 1.00 0.00 N ATOM 1608 CA GLU A 102 -11.260 53.473 -1.969 1.00 0.00 C ATOM 1609 C GLU A 102 -12.061 53.418 -3.294 1.00 0.00 C ATOM 1610 O GLU A 102 -13.001 54.189 -3.515 1.00 0.00 O ATOM 1611 CB GLU A 102 -11.687 54.660 -1.076 1.00 0.00 C ATOM 1612 CG GLU A 102 -11.038 54.685 0.319 1.00 0.00 C ATOM 1613 CD GLU A 102 -11.341 53.441 1.184 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -10.510 53.103 2.062 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -12.418 52.813 1.031 1.00 0.00 O ATOM 0 H GLU A 102 -9.410 54.442 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.503 52.542 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.444 55.589 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.770 54.635 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.958 54.778 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.379 55.574 0.850 1.00 0.00 H new ATOM 1622 N ALA A 103 -11.671 52.524 -4.208 1.00 0.00 N ATOM 1623 CA ALA A 103 -12.343 52.296 -5.489 1.00 0.00 C ATOM 1624 C ALA A 103 -13.757 51.694 -5.317 1.00 0.00 C ATOM 1625 O ALA A 103 -14.008 50.915 -4.391 1.00 0.00 O ATOM 1626 CB ALA A 103 -11.447 51.401 -6.355 1.00 0.00 C ATOM 0 H ALA A 103 -10.858 51.924 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.494 53.255 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.932 51.220 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.490 51.895 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.282 50.451 -5.847 1.00 0.00 H new ATOM 1632 N LEU A 104 -14.672 52.034 -6.234 1.00 0.00 N ATOM 1633 CA LEU A 104 -16.085 51.620 -6.238 1.00 0.00 C ATOM 1634 C LEU A 104 -16.560 51.232 -7.652 1.00 0.00 C ATOM 1635 O LEU A 104 -16.024 51.717 -8.655 1.00 0.00 O ATOM 1636 CB LEU A 104 -16.967 52.753 -5.668 1.00 0.00 C ATOM 1637 CG LEU A 104 -16.738 53.106 -4.184 1.00 0.00 C ATOM 1638 CD1 LEU A 104 -17.540 54.359 -3.825 1.00 0.00 C ATOM 1639 CD2 LEU A 104 -17.184 51.981 -3.246 1.00 0.00 C ATOM 0 H LEU A 104 -14.440 52.631 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.178 50.737 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.801 53.650 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.012 52.473 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.668 53.267 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -17.377 54.607 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -17.214 55.191 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -18.601 54.173 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -17.003 52.276 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -18.248 51.789 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -16.619 51.076 -3.469 1.00 0.00 H new ATOM 1651 N LYS A 105 -17.589 50.376 -7.725 1.00 0.00 N ATOM 1652 CA LYS A 105 -18.224 49.890 -8.966 1.00 0.00 C ATOM 1653 C LYS A 105 -19.695 49.524 -8.722 1.00 0.00 C ATOM 1654 O LYS A 105 -20.033 48.981 -7.670 1.00 0.00 O ATOM 1655 CB LYS A 105 -17.416 48.690 -9.500 1.00 0.00 C ATOM 1656 CG LYS A 105 -17.892 48.199 -10.881 1.00 0.00 C ATOM 1657 CD LYS A 105 -17.066 47.020 -11.418 1.00 0.00 C ATOM 1658 CE LYS A 105 -15.616 47.417 -11.736 1.00 0.00 C ATOM 1659 NZ LYS A 105 -14.855 46.283 -12.325 1.00 0.00 N ATOM 0 H LYS A 105 -18.022 49.985 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 105 -18.219 50.680 -9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.364 48.969 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.485 47.869 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -18.938 47.901 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -17.841 49.024 -11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.067 46.215 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -17.539 46.629 -12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.612 48.258 -12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.122 47.753 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.881 46.586 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.838 45.490 -11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.313 45.979 -13.208 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.561 49.793 -9.699 1.00 0.00 N ATOM 1674 CA ASP A 106 -21.964 49.354 -9.694 1.00 0.00 C ATOM 1675 C ASP A 106 -22.091 47.921 -10.246 1.00 0.00 C ATOM 1676 O ASP A 106 -21.952 47.689 -11.450 1.00 0.00 O ATOM 1677 CB ASP A 106 -22.838 50.341 -10.493 1.00 0.00 C ATOM 1678 CG ASP A 106 -22.886 51.771 -9.920 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -23.233 52.703 -10.685 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -22.621 51.979 -8.710 1.00 0.00 O ATOM 0 H ASP A 106 -20.308 50.329 -10.529 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.321 49.344 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.466 50.387 -11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.854 49.949 -10.540 1.00 0.00 H new ATOM 1685 N LEU A 107 -22.349 46.949 -9.362 1.00 0.00 N ATOM 1686 CA LEU A 107 -22.484 45.522 -9.709 1.00 0.00 C ATOM 1687 C LEU A 107 -23.893 45.140 -10.222 1.00 0.00 C ATOM 1688 O LEU A 107 -24.075 44.032 -10.735 1.00 0.00 O ATOM 1689 CB LEU A 107 -22.080 44.662 -8.490 1.00 0.00 C ATOM 1690 CG LEU A 107 -20.570 44.366 -8.385 1.00 0.00 C ATOM 1691 CD1 LEU A 107 -19.703 45.608 -8.177 1.00 0.00 C ATOM 1692 CD2 LEU A 107 -20.316 43.417 -7.212 1.00 0.00 C ATOM 0 H LEU A 107 -22.473 47.132 -8.366 1.00 0.00 H new ATOM 0 HA LEU A 107 -21.812 45.324 -10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -22.401 45.170 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -22.620 43.716 -8.534 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.288 43.926 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.655 45.314 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.838 46.291 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.997 46.106 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -19.249 43.208 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -20.660 43.881 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -20.858 42.485 -7.374 1.00 0.00 H new ATOM 1704 N ALA A 108 -24.888 46.026 -10.096 1.00 0.00 N ATOM 1705 CA ALA A 108 -26.265 45.782 -10.536 1.00 0.00 C ATOM 1706 C ALA A 108 -26.378 45.611 -12.069 1.00 0.00 C ATOM 1707 O ALA A 108 -25.787 46.373 -12.840 1.00 0.00 O ATOM 1708 CB ALA A 108 -27.158 46.923 -10.030 1.00 0.00 C ATOM 0 H ALA A 108 -24.756 46.947 -9.679 1.00 0.00 H new ATOM 0 HA ALA A 108 -26.601 44.837 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -28.185 46.751 -10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -27.120 46.959 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -26.804 47.870 -10.437 1.00 0.00 H new ATOM 1714 N SER A 109 -27.159 44.619 -12.510 1.00 0.00 N ATOM 1715 CA SER A 109 -27.371 44.288 -13.931 1.00 0.00 C ATOM 1716 C SER A 109 -28.410 45.178 -14.634 1.00 0.00 C ATOM 1717 O SER A 109 -28.360 45.331 -15.858 1.00 0.00 O ATOM 1718 CB SER A 109 -27.792 42.817 -14.041 1.00 0.00 C ATOM 1719 OG SER A 109 -28.987 42.576 -13.307 1.00 0.00 O ATOM 0 H SER A 109 -27.675 44.007 -11.877 1.00 0.00 H new ATOM 0 HA SER A 109 -26.425 44.471 -14.441 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.944 42.555 -15.088 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.994 42.177 -13.665 1.00 0.00 H new ATOM 0 HG SER A 109 -29.239 41.633 -13.392 1.00 0.00 H new ATOM 1725 N LEU A 110 -29.350 45.771 -13.885 1.00 0.00 N ATOM 1726 CA LEU A 110 -30.421 46.626 -14.414 1.00 0.00 C ATOM 1727 C LEU A 110 -29.915 48.001 -14.894 1.00 0.00 C ATOM 1728 O LEU A 110 -28.917 48.527 -14.391 1.00 0.00 O ATOM 1729 CB LEU A 110 -31.560 46.729 -13.376 1.00 0.00 C ATOM 1730 CG LEU A 110 -31.245 47.565 -12.113 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -31.720 49.015 -12.245 1.00 0.00 C ATOM 1732 CD2 LEU A 110 -31.949 46.967 -10.894 1.00 0.00 C ATOM 0 H LEU A 110 -29.387 45.667 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 110 -30.820 46.156 -15.313 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -32.434 47.159 -13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -31.833 45.721 -13.063 1.00 0.00 H new ATOM 0 HG LEU A 110 -30.161 47.548 -11.996 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -31.477 49.562 -11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -31.223 49.485 -13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -32.799 49.032 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -31.719 47.564 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -33.026 46.965 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -31.604 45.945 -10.740 1.00 0.00 H new ATOM 1744 N SER A 111 -30.643 48.599 -15.841 1.00 0.00 N ATOM 1745 CA SER A 111 -30.329 49.904 -16.460 1.00 0.00 C ATOM 1746 C SER A 111 -31.553 50.823 -16.654 1.00 0.00 C ATOM 1747 O SER A 111 -31.427 51.916 -17.215 1.00 0.00 O ATOM 1748 CB SER A 111 -29.609 49.665 -17.794 1.00 0.00 C ATOM 1749 OG SER A 111 -30.451 48.968 -18.705 1.00 0.00 O ATOM 0 H SER A 111 -31.495 48.181 -16.214 1.00 0.00 H new ATOM 0 HA SER A 111 -29.682 50.438 -15.765 1.00 0.00 H new ATOM 0 HB2 SER A 111 -29.309 50.619 -18.227 1.00 0.00 H new ATOM 0 HB3 SER A 111 -28.698 49.092 -17.623 1.00 0.00 H new ATOM 0 HG SER A 111 -29.974 48.827 -19.549 1.00 0.00 H new ATOM 1755 N ARG A 112 -32.740 50.401 -16.189 1.00 0.00 N ATOM 1756 CA ARG A 112 -34.009 51.150 -16.284 1.00 0.00 C ATOM 1757 C ARG A 112 -34.066 52.397 -15.385 1.00 0.00 C ATOM 1758 O ARG A 112 -33.305 52.526 -14.422 1.00 0.00 O ATOM 1759 CB ARG A 112 -35.203 50.215 -16.008 1.00 0.00 C ATOM 1760 CG ARG A 112 -35.203 49.588 -14.597 1.00 0.00 C ATOM 1761 CD ARG A 112 -36.608 49.149 -14.167 1.00 0.00 C ATOM 1762 NE ARG A 112 -37.457 50.321 -13.881 1.00 0.00 N ATOM 1763 CZ ARG A 112 -38.754 50.356 -13.658 1.00 0.00 C ATOM 1764 NH1 ARG A 112 -39.505 49.290 -13.651 1.00 0.00 N ATOM 1765 NH2 ARG A 112 -39.303 51.511 -13.435 1.00 0.00 N ATOM 0 H ARG A 112 -32.849 49.501 -15.721 1.00 0.00 H new ATOM 0 HA ARG A 112 -34.068 51.524 -17.306 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -36.128 50.775 -16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -35.203 49.415 -16.749 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -34.533 48.728 -14.582 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -34.812 50.309 -13.879 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -37.063 48.548 -14.954 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -36.542 48.517 -13.281 1.00 0.00 H new ATOM 0 HE ARG A 112 -36.977 51.221 -13.852 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -39.092 48.374 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -40.506 49.372 -13.473 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -38.732 52.356 -13.436 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -40.306 51.574 -13.259 1.00 0.00 H new ATOM 1779 N ASP A 113 -35.016 53.288 -15.682 1.00 0.00 N ATOM 1780 CA ASP A 113 -35.401 54.439 -14.840 1.00 0.00 C ATOM 1781 C ASP A 113 -36.150 54.019 -13.558 1.00 0.00 C ATOM 1782 O ASP A 113 -37.029 53.129 -13.635 1.00 0.00 O ATOM 1783 CB ASP A 113 -36.249 55.437 -15.659 1.00 0.00 C ATOM 1784 CG ASP A 113 -35.558 56.085 -16.882 1.00 0.00 C ATOM 1785 OD1 ASP A 113 -36.286 56.570 -17.786 1.00 0.00 O ATOM 1786 OD2 ASP A 113 -34.305 56.156 -16.945 1.00 0.00 O ATOM 1787 OXT ASP A 113 -35.857 54.589 -12.482 1.00 0.00 O ATOM 0 H ASP A 113 -35.560 53.232 -16.543 1.00 0.00 H new ATOM 0 HA ASP A 113 -34.478 54.922 -14.519 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -37.144 54.920 -16.006 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -36.579 56.233 -14.992 1.00 0.00 H new TER 1792 ASP A 113