USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 1502 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: B 91 ASN : amide:sc= -0.0602 K(o=0.91,f=-5.4!) USER MOD Set 1.2: B 92 LYS NZ :NH3+ -176:sc= 0.97 (180deg=0.688) USER MOD Set 2.1: B 47 MET CE :methyl -156:sc= -1.65 (180deg=-2.31) USER MOD Set 2.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 58 SER OG : rot 180:sc= 0.349 USER MOD Set 3.2: B 61 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0.558) USER MOD Set 4.1: B 25 SER OG : rot 120:sc= 0.363 USER MOD Set 4.2: B 28 THR OG1 : rot 144:sc= 1.22 USER MOD Set 5.1: A 80 CYS SG : rot -169:sc= -0.0173 USER MOD Set 5.2: A 84 ASN : amide:sc= 0.124 K(o=0.11,f=-1.2) USER MOD Set 6.1: A 77 THR OG1 : rot 70:sc= 2.03 USER MOD Set 6.2: B 73 SER OG : rot 178:sc= 1.02 USER MOD Set 7.1: A 73 SER OG : rot -84:sc= 0.988 USER MOD Set 7.2: B 77 THR OG1 : rot 93:sc= 0.39 USER MOD Set 8.1: A 43 CYS SG : rot -172:sc= 0.391 USER MOD Set 8.2: B 1 MET CE :methyl -130:sc= 0 (180deg=-2.29) USER MOD Set 9.1: A 17 HIS : no HE2:sc= 0.641 K(o=1.7,f=-3.5!) USER MOD Set 9.2: A 20 SER OG : rot 139:sc= 1.03 USER MOD Set10.1: A 15 THR OG1 : rot -73:sc= 0.886 USER MOD Set10.2: A 72 TYR OH : rot 165:sc= 0.00682 USER MOD Set11.1: A 12 MET CE :methyl -169:sc=-0.00247 (180deg=-0.267) USER MOD Set11.2: B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 2.22 (180deg=1.33) USER MOD Single : A 3 THR OG1 : rot -139:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= 1.28 (180deg=0.711) USER MOD Single : A 10 THR OG1 : rot 23:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 14 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 135:sc= 1.22 USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 1.18 (180deg=1.05) USER MOD Single : A 28 THR OG1 : rot 153:sc= 1.26 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 2.45 (180deg=2.4) USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 0.426 (180deg=-1.48!) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.333 (180deg=0.275) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 0.708 (180deg=-0.27!) USER MOD Single : A 47 MET CE :methyl -178:sc= -1.31 (180deg=-1.35) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0.296 (180deg=-1.91!) USER MOD Single : A 50 SER OG : rot 41:sc= 1.16 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -151:sc=-0.00686 (180deg=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 1.21 (180deg=0.986) USER MOD Single : A 58 SER OG : rot 72:sc= 0.256 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0.282 (180deg=0.215) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 26:sc= 0.933 USER MOD Single : A 65 GLN : amide:sc= 1.09 K(o=1.1,f=-0.09) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0522) USER MOD Single : A 78 MET CE :methyl -172:sc= 0 (180deg=-0.0697) USER MOD Single : A 81 MET CE :methyl -154:sc= -0.789 (180deg=-1.69!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.257) USER MOD Single : B 1 MET N :NH3+ -167:sc= 1.36 (180deg=0.949) USER MOD Single : B 3 THR OG1 : rot 120:sc= 0.0151 USER MOD Single : B 7 LYS NZ :NH3+ 173:sc= 0.774 (180deg=0.606) USER MOD Single : B 10 THR OG1 : rot 78:sc= 1.32 USER MOD Single : B 11 THR OG1 : rot 81:sc= 1.17 USER MOD Single : B 14 THR OG1 : rot 99:sc= 1.22 USER MOD Single : B 15 THR OG1 : rot 170:sc= 0.404 USER MOD Single : B 17 HIS : no HD1:sc= -0.546 K(o=-0.55,f=-1.1) USER MOD Single : B 18 LYS NZ :NH3+ 178:sc= 0.59 (180deg=0.508) USER MOD Single : B 19 TYR OH : rot 30:sc= -0.0326 USER MOD Single : B 20 SER OG : rot 140:sc= 2.19 USER MOD Single : B 26 LYS NZ :NH3+ -156:sc= 0.739 (180deg=-0.561!) USER MOD Single : B 30 SER OG : rot 125:sc= 1.22 USER MOD Single : B 32 LYS NZ :NH3+ -115:sc= 2.4 (180deg=-0.808) USER MOD Single : B 35 LYS NZ :NH3+ 163:sc= 0.967 (180deg=0.691) USER MOD Single : B 39 LYS NZ :NH3+ 163:sc= 2.26 (180deg=1.49) USER MOD Single : B 40 LYS NZ :NH3+ -133:sc= 1.16 (180deg=-0.549) USER MOD Single : B 43 CYS SG : rot -74:sc= 0.0503 USER MOD Single : B 48 LYS NZ :NH3+ 143:sc= 1.44 (180deg=0.937) USER MOD Single : B 50 SER OG : rot -92:sc= 1.24 USER MOD Single : B 51 SER OG : rot -140:sc= 0.708 USER MOD Single : B 56 MET CE :methyl -174:sc= -0.0429 (180deg=-0.167) USER MOD Single : B 57 LYS NZ :NH3+ 174:sc= 2.02 (180deg=1.79) USER MOD Single : B 62 ASN : amide:sc= 0.0847 X(o=0.085,f=-0.034) USER MOD Single : B 63 SER OG : rot 78:sc= 1.23 USER MOD Single : B 65 GLN : amide:sc= 2.13 K(o=2.1,f=-5.8!) USER MOD Single : B 70 LYS NZ :NH3+ 155:sc= 0.287 (180deg=-0.00728!) USER MOD Single : B 72 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 MET CE :methyl -170:sc= 0 (180deg=-0.0911) USER MOD Single : B 80 CYS SG : rot -99:sc= 0.222 USER MOD Single : B 81 MET CE :methyl 161:sc= -0.089 (180deg=-0.402) USER MOD Single : B 84 ASN : amide:sc= 0.125 K(o=0.13,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.653 1.646 25.708 1.00 7.92 N ATOM 2 CA MET A 1 6.198 2.430 24.541 1.00 6.80 C ATOM 3 C MET A 1 7.256 3.464 24.246 1.00 4.82 C ATOM 4 O MET A 1 7.739 4.098 25.172 1.00 5.32 O ATOM 5 CB MET A 1 4.842 3.129 24.691 1.00 8.38 C ATOM 6 CG MET A 1 3.660 2.152 24.722 1.00 9.88 C ATOM 7 SD MET A 1 3.635 1.008 26.130 1.00 11.20 S ATOM 8 CE MET A 1 1.852 0.900 26.439 1.00 13.12 C ATOM 0 H1 MET A 1 5.838 1.170 26.146 1.00 7.92 H new ATOM 0 H2 MET A 1 7.345 0.934 25.399 1.00 7.92 H new ATOM 0 H3 MET A 1 7.096 2.281 26.402 1.00 7.92 H new ATOM 0 HA MET A 1 6.052 1.715 23.731 1.00 6.80 H new ATOM 0 HB2 MET A 1 4.843 3.717 25.609 1.00 8.38 H new ATOM 0 HB3 MET A 1 4.707 3.827 23.865 1.00 8.38 H new ATOM 0 HG2 MET A 1 2.734 2.728 24.726 1.00 9.88 H new ATOM 0 HG3 MET A 1 3.668 1.569 23.801 1.00 9.88 H new ATOM 0 HE1 MET A 1 1.668 0.231 27.279 1.00 13.12 H new ATOM 0 HE2 MET A 1 1.462 1.891 26.672 1.00 13.12 H new ATOM 0 HE3 MET A 1 1.352 0.513 25.551 1.00 13.12 H new ATOM 17 N GLU A 2 7.627 3.572 22.973 1.00 3.23 N ATOM 18 CA GLU A 2 8.944 4.058 22.568 1.00 1.79 C ATOM 19 C GLU A 2 8.798 5.435 21.923 1.00 1.51 C ATOM 20 O GLU A 2 9.293 6.433 22.439 1.00 2.41 O ATOM 21 CB GLU A 2 9.587 3.025 21.610 1.00 2.19 C ATOM 22 CG GLU A 2 9.796 1.614 22.208 1.00 3.41 C ATOM 23 CD GLU A 2 8.487 0.950 22.654 1.00 4.13 C ATOM 24 OE1 GLU A 2 7.494 1.026 21.895 1.00 4.50 O ATOM 25 OE2 GLU A 2 8.340 0.610 23.846 1.00 5.19 O ATOM 0 H GLU A 2 7.021 3.324 22.191 1.00 3.23 H new ATOM 0 HA GLU A 2 9.601 4.169 23.431 1.00 1.79 H new ATOM 0 HB2 GLU A 2 8.960 2.937 20.723 1.00 2.19 H new ATOM 0 HB3 GLU A 2 10.552 3.410 21.281 1.00 2.19 H new ATOM 0 HG2 GLU A 2 10.284 0.980 21.467 1.00 3.41 H new ATOM 0 HG3 GLU A 2 10.470 1.684 23.062 1.00 3.41 H new ATOM 32 N THR A 3 8.035 5.477 20.831 1.00 1.21 N ATOM 33 CA THR A 3 7.724 6.650 20.012 1.00 0.92 C ATOM 34 C THR A 3 6.412 6.356 19.284 1.00 0.95 C ATOM 35 O THR A 3 6.127 5.176 19.026 1.00 1.16 O ATOM 36 CB THR A 3 8.849 6.977 19.015 1.00 1.28 C ATOM 37 OG1 THR A 3 9.204 5.819 18.302 1.00 2.27 O ATOM 38 CG2 THR A 3 10.111 7.516 19.692 1.00 1.34 C ATOM 0 H THR A 3 7.587 4.635 20.470 1.00 1.21 H new ATOM 0 HA THR A 3 7.628 7.530 20.648 1.00 0.92 H new ATOM 0 HB THR A 3 8.457 7.751 18.355 1.00 1.28 H new ATOM 0 HG1 THR A 3 10.178 5.781 18.204 1.00 2.27 H new ATOM 0 HG21 THR A 3 10.867 7.728 18.936 1.00 1.34 H new ATOM 0 HG22 THR A 3 9.871 8.432 20.232 1.00 1.34 H new ATOM 0 HG23 THR A 3 10.495 6.773 20.391 1.00 1.34 H new ATOM 46 N PRO A 4 5.574 7.367 18.989 1.00 1.00 N ATOM 47 CA PRO A 4 4.234 7.129 18.463 1.00 1.17 C ATOM 48 C PRO A 4 4.252 6.868 16.958 1.00 1.07 C ATOM 49 O PRO A 4 3.553 5.963 16.503 1.00 1.16 O ATOM 50 CB PRO A 4 3.443 8.393 18.815 1.00 1.47 C ATOM 51 CG PRO A 4 4.504 9.499 18.804 1.00 1.39 C ATOM 52 CD PRO A 4 5.765 8.782 19.291 1.00 1.20 C ATOM 0 HA PRO A 4 3.782 6.236 18.895 1.00 1.17 H new ATOM 0 HB2 PRO A 4 2.654 8.587 18.088 1.00 1.47 H new ATOM 0 HB3 PRO A 4 2.964 8.307 19.790 1.00 1.47 H new ATOM 0 HG2 PRO A 4 4.639 9.917 17.806 1.00 1.39 H new ATOM 0 HG3 PRO A 4 4.231 10.325 19.461 1.00 1.39 H new ATOM 0 HD2 PRO A 4 6.651 9.170 18.789 1.00 1.20 H new ATOM 0 HD3 PRO A 4 5.911 8.935 20.360 1.00 1.20 H new ATOM 60 N LEU A 5 5.070 7.605 16.195 1.00 0.96 N ATOM 61 CA LEU A 5 5.207 7.408 14.750 1.00 0.94 C ATOM 62 C LEU A 5 5.730 6.011 14.419 1.00 0.93 C ATOM 63 O LEU A 5 5.276 5.425 13.437 1.00 1.02 O ATOM 64 CB LEU A 5 6.119 8.502 14.175 1.00 1.00 C ATOM 65 CG LEU A 5 6.268 8.493 12.638 1.00 1.11 C ATOM 66 CD1 LEU A 5 4.923 8.604 11.897 1.00 1.62 C ATOM 67 CD2 LEU A 5 7.167 9.661 12.225 1.00 1.98 C ATOM 0 H LEU A 5 5.655 8.355 16.565 1.00 0.96 H new ATOM 0 HA LEU A 5 4.223 7.487 14.288 1.00 0.94 H new ATOM 0 HB2 LEU A 5 5.731 9.474 14.481 1.00 1.00 H new ATOM 0 HB3 LEU A 5 7.108 8.399 14.621 1.00 1.00 H new ATOM 0 HG LEU A 5 6.705 7.534 12.359 1.00 1.11 H new ATOM 0 HD11 LEU A 5 5.098 8.592 10.821 1.00 1.62 H new ATOM 0 HD12 LEU A 5 4.286 7.763 12.170 1.00 1.62 H new ATOM 0 HD13 LEU A 5 4.431 9.536 12.174 1.00 1.62 H new ATOM 0 HD21 LEU A 5 7.281 9.667 11.141 1.00 1.98 H new ATOM 0 HD22 LEU A 5 6.716 10.599 12.547 1.00 1.98 H new ATOM 0 HD23 LEU A 5 8.146 9.550 12.692 1.00 1.98 H new ATOM 79 N GLU A 6 6.598 5.442 15.263 1.00 0.98 N ATOM 80 CA GLU A 6 7.037 4.055 15.103 1.00 1.14 C ATOM 81 C GLU A 6 5.843 3.098 15.054 1.00 1.20 C ATOM 82 O GLU A 6 5.868 2.103 14.346 1.00 1.36 O ATOM 83 CB GLU A 6 8.038 3.662 16.214 1.00 1.34 C ATOM 84 CG GLU A 6 8.478 2.184 16.181 1.00 1.79 C ATOM 85 CD GLU A 6 8.810 1.662 14.779 1.00 2.84 C ATOM 86 OE1 GLU A 6 9.473 2.400 14.022 1.00 3.53 O ATOM 87 OE2 GLU A 6 8.336 0.550 14.457 1.00 4.03 O ATOM 0 H GLU A 6 7.009 5.922 16.063 1.00 0.98 H new ATOM 0 HA GLU A 6 7.556 3.973 14.148 1.00 1.14 H new ATOM 0 HB2 GLU A 6 8.922 4.294 16.130 1.00 1.34 H new ATOM 0 HB3 GLU A 6 7.587 3.873 17.184 1.00 1.34 H new ATOM 0 HG2 GLU A 6 9.353 2.062 16.819 1.00 1.79 H new ATOM 0 HG3 GLU A 6 7.685 1.570 16.607 1.00 1.79 H new ATOM 94 N LYS A 7 4.727 3.381 15.728 1.00 1.17 N ATOM 95 CA LYS A 7 3.596 2.450 15.707 1.00 1.31 C ATOM 96 C LYS A 7 2.858 2.429 14.356 1.00 1.27 C ATOM 97 O LYS A 7 2.191 1.439 14.033 1.00 1.47 O ATOM 98 CB LYS A 7 2.726 2.620 16.967 1.00 1.43 C ATOM 99 CG LYS A 7 3.503 2.598 18.298 1.00 1.40 C ATOM 100 CD LYS A 7 4.745 1.698 18.260 1.00 1.98 C ATOM 101 CE LYS A 7 5.168 1.258 19.641 1.00 2.95 C ATOM 102 NZ LYS A 7 6.378 0.399 19.559 1.00 3.67 N ATOM 0 H LYS A 7 4.582 4.225 16.282 1.00 1.17 H new ATOM 0 HA LYS A 7 3.975 1.430 15.770 1.00 1.31 H new ATOM 0 HB2 LYS A 7 2.186 3.564 16.894 1.00 1.43 H new ATOM 0 HB3 LYS A 7 1.979 1.826 16.985 1.00 1.43 H new ATOM 0 HG2 LYS A 7 3.806 3.614 18.551 1.00 1.40 H new ATOM 0 HG3 LYS A 7 2.840 2.257 19.093 1.00 1.40 H new ATOM 0 HD2 LYS A 7 4.538 0.820 17.648 1.00 1.98 H new ATOM 0 HD3 LYS A 7 5.566 2.233 17.783 1.00 1.98 H new ATOM 0 HE2 LYS A 7 5.374 2.130 20.261 1.00 2.95 H new ATOM 0 HE3 LYS A 7 4.357 0.711 20.120 1.00 2.95 H new ATOM 0 HZ1 LYS A 7 7.002 0.600 20.366 1.00 3.67 H new ATOM 0 HZ2 LYS A 7 6.095 -0.602 19.581 1.00 3.67 H new ATOM 0 HZ3 LYS A 7 6.885 0.597 18.673 1.00 3.67 H new ATOM 116 N ALA A 8 3.085 3.432 13.506 1.00 1.00 N ATOM 117 CA ALA A 8 2.809 3.339 12.077 1.00 0.83 C ATOM 118 C ALA A 8 3.795 2.423 11.338 1.00 0.75 C ATOM 119 O ALA A 8 3.352 1.564 10.575 1.00 0.70 O ATOM 120 CB ALA A 8 2.828 4.741 11.463 1.00 0.87 C ATOM 0 H ALA A 8 3.467 4.333 13.793 1.00 1.00 H new ATOM 0 HA ALA A 8 1.822 2.891 11.963 1.00 0.83 H new ATOM 0 HB1 ALA A 8 2.622 4.673 10.395 1.00 0.87 H new ATOM 0 HB2 ALA A 8 2.067 5.358 11.941 1.00 0.87 H new ATOM 0 HB3 ALA A 8 3.809 5.192 11.615 1.00 0.87 H new ATOM 126 N LEU A 9 5.104 2.582 11.577 1.00 0.87 N ATOM 127 CA LEU A 9 6.152 1.796 10.918 1.00 0.93 C ATOM 128 C LEU A 9 6.063 0.323 11.329 1.00 0.96 C ATOM 129 O LEU A 9 5.811 -0.484 10.441 1.00 1.05 O ATOM 130 CB LEU A 9 7.547 2.419 11.163 1.00 1.06 C ATOM 131 CG LEU A 9 7.956 3.575 10.217 1.00 1.03 C ATOM 132 CD1 LEU A 9 8.096 3.112 8.756 1.00 1.09 C ATOM 133 CD2 LEU A 9 7.002 4.776 10.289 1.00 1.05 C ATOM 0 H LEU A 9 5.467 3.267 12.240 1.00 0.87 H new ATOM 0 HA LEU A 9 5.994 1.824 9.840 1.00 0.93 H new ATOM 0 HB2 LEU A 9 7.582 2.787 12.188 1.00 1.06 H new ATOM 0 HB3 LEU A 9 8.294 1.629 11.082 1.00 1.06 H new ATOM 0 HG LEU A 9 8.932 3.901 10.575 1.00 1.03 H new ATOM 0 HD11 LEU A 9 8.384 3.958 8.132 1.00 1.09 H new ATOM 0 HD12 LEU A 9 8.860 2.337 8.692 1.00 1.09 H new ATOM 0 HD13 LEU A 9 7.143 2.712 8.408 1.00 1.09 H new ATOM 0 HD21 LEU A 9 7.342 5.552 9.604 1.00 1.05 H new ATOM 0 HD22 LEU A 9 5.997 4.460 10.009 1.00 1.05 H new ATOM 0 HD23 LEU A 9 6.989 5.170 11.305 1.00 1.05 H new ATOM 145 N THR A 10 6.112 -0.016 12.631 1.00 0.94 N ATOM 146 CA THR A 10 5.776 -1.331 13.231 1.00 1.08 C ATOM 147 C THR A 10 4.621 -2.019 12.502 1.00 0.94 C ATOM 148 O THR A 10 4.739 -3.187 12.131 1.00 1.03 O ATOM 149 CB THR A 10 5.410 -1.155 14.720 1.00 1.30 C ATOM 150 OG1 THR A 10 6.525 -0.870 15.529 1.00 1.55 O ATOM 151 CG2 THR A 10 4.777 -2.397 15.362 1.00 1.92 C ATOM 0 H THR A 10 6.404 0.658 13.339 1.00 0.94 H new ATOM 0 HA THR A 10 6.658 -1.964 13.135 1.00 1.08 H new ATOM 0 HB THR A 10 4.701 -0.328 14.687 1.00 1.30 H new ATOM 0 HG1 THR A 10 7.241 -0.491 14.977 1.00 1.55 H new ATOM 0 HG21 THR A 10 4.550 -2.190 16.408 1.00 1.92 H new ATOM 0 HG22 THR A 10 3.858 -2.651 14.834 1.00 1.92 H new ATOM 0 HG23 THR A 10 5.473 -3.233 15.300 1.00 1.92 H new ATOM 159 N THR A 11 3.513 -1.306 12.271 1.00 0.80 N ATOM 160 CA THR A 11 2.320 -1.855 11.609 1.00 0.75 C ATOM 161 C THR A 11 2.553 -2.077 10.116 1.00 0.69 C ATOM 162 O THR A 11 2.263 -3.164 9.612 1.00 0.65 O ATOM 163 CB THR A 11 1.115 -0.952 11.870 1.00 0.79 C ATOM 164 OG1 THR A 11 0.920 -0.874 13.264 1.00 1.06 O ATOM 165 CG2 THR A 11 -0.169 -1.518 11.266 1.00 0.84 C ATOM 0 H THR A 11 3.416 -0.327 12.539 1.00 0.80 H new ATOM 0 HA THR A 11 2.110 -2.836 12.036 1.00 0.75 H new ATOM 0 HB THR A 11 1.319 0.018 11.417 1.00 0.79 H new ATOM 0 HG1 THR A 11 1.457 -0.140 13.629 1.00 1.06 H new ATOM 0 HG21 THR A 11 -0.999 -0.843 11.477 1.00 0.84 H new ATOM 0 HG22 THR A 11 -0.049 -1.621 10.187 1.00 0.84 H new ATOM 0 HG23 THR A 11 -0.377 -2.495 11.702 1.00 0.84 H new ATOM 173 N MET A 12 3.115 -1.092 9.408 1.00 0.73 N ATOM 174 CA MET A 12 3.442 -1.177 7.988 1.00 0.70 C ATOM 175 C MET A 12 4.509 -2.250 7.686 1.00 0.65 C ATOM 176 O MET A 12 4.373 -2.994 6.715 1.00 0.58 O ATOM 177 CB MET A 12 3.850 0.235 7.535 1.00 0.91 C ATOM 178 CG MET A 12 3.908 0.332 6.012 1.00 1.36 C ATOM 179 SD MET A 12 4.447 1.933 5.350 1.00 1.42 S ATOM 180 CE MET A 12 3.072 2.979 5.892 1.00 0.86 C ATOM 0 H MET A 12 3.360 -0.192 9.821 1.00 0.73 H new ATOM 0 HA MET A 12 2.575 -1.509 7.417 1.00 0.70 H new ATOM 0 HB2 MET A 12 3.137 0.964 7.921 1.00 0.91 H new ATOM 0 HB3 MET A 12 4.824 0.487 7.955 1.00 0.91 H new ATOM 0 HG2 MET A 12 4.583 -0.440 5.642 1.00 1.36 H new ATOM 0 HG3 MET A 12 2.918 0.108 5.613 1.00 1.36 H new ATOM 0 HE1 MET A 12 3.141 3.952 5.406 1.00 0.86 H new ATOM 0 HE2 MET A 12 2.127 2.506 5.624 1.00 0.86 H new ATOM 0 HE3 MET A 12 3.118 3.109 6.973 1.00 0.86 H new ATOM 190 N VAL A 13 5.530 -2.394 8.533 1.00 0.77 N ATOM 191 CA VAL A 13 6.564 -3.443 8.410 1.00 0.82 C ATOM 192 C VAL A 13 5.996 -4.829 8.741 1.00 0.76 C ATOM 193 O VAL A 13 6.308 -5.788 8.027 1.00 0.78 O ATOM 194 CB VAL A 13 7.861 -3.158 9.217 1.00 1.00 C ATOM 195 CG1 VAL A 13 8.495 -1.822 8.812 1.00 1.21 C ATOM 196 CG2 VAL A 13 7.729 -3.248 10.741 1.00 1.02 C ATOM 0 H VAL A 13 5.671 -1.781 9.336 1.00 0.77 H new ATOM 0 HA VAL A 13 6.865 -3.430 7.362 1.00 0.82 H new ATOM 0 HB VAL A 13 8.523 -3.979 8.942 1.00 1.00 H new ATOM 0 HG11 VAL A 13 9.400 -1.656 9.397 1.00 1.21 H new ATOM 0 HG12 VAL A 13 8.748 -1.846 7.752 1.00 1.21 H new ATOM 0 HG13 VAL A 13 7.789 -1.013 8.999 1.00 1.21 H new ATOM 0 HG21 VAL A 13 8.692 -3.031 11.203 1.00 1.02 H new ATOM 0 HG22 VAL A 13 6.990 -2.525 11.086 1.00 1.02 H new ATOM 0 HG23 VAL A 13 7.411 -4.252 11.020 1.00 1.02 H new ATOM 206 N THR A 14 5.111 -4.939 9.750 1.00 0.75 N ATOM 207 CA THR A 14 4.401 -6.190 10.075 1.00 0.77 C ATOM 208 C THR A 14 3.595 -6.659 8.875 1.00 0.70 C ATOM 209 O THR A 14 3.781 -7.793 8.440 1.00 0.83 O ATOM 210 CB THR A 14 3.503 -6.041 11.307 1.00 0.90 C ATOM 211 OG1 THR A 14 4.337 -5.848 12.413 1.00 1.07 O ATOM 212 CG2 THR A 14 2.669 -7.291 11.599 1.00 1.37 C ATOM 0 H THR A 14 4.868 -4.161 10.364 1.00 0.75 H new ATOM 0 HA THR A 14 5.151 -6.942 10.318 1.00 0.77 H new ATOM 0 HB THR A 14 2.821 -5.212 11.118 1.00 0.90 H new ATOM 0 HG1 THR A 14 4.632 -4.914 12.441 1.00 1.07 H new ATOM 0 HG21 THR A 14 2.055 -7.120 12.483 1.00 1.37 H new ATOM 0 HG22 THR A 14 2.025 -7.506 10.746 1.00 1.37 H new ATOM 0 HG23 THR A 14 3.332 -8.138 11.776 1.00 1.37 H new ATOM 220 N THR A 15 2.740 -5.782 8.335 1.00 0.63 N ATOM 221 CA THR A 15 1.833 -6.106 7.225 1.00 0.61 C ATOM 222 C THR A 15 2.570 -6.559 5.974 1.00 0.55 C ATOM 223 O THR A 15 2.141 -7.547 5.383 1.00 0.66 O ATOM 224 CB THR A 15 0.852 -4.963 6.926 1.00 0.61 C ATOM 225 OG1 THR A 15 1.452 -3.698 7.041 1.00 1.13 O ATOM 226 CG2 THR A 15 -0.332 -5.015 7.885 1.00 0.88 C ATOM 0 H THR A 15 2.657 -4.818 8.659 1.00 0.63 H new ATOM 0 HA THR A 15 1.242 -6.958 7.560 1.00 0.61 H new ATOM 0 HB THR A 15 0.523 -5.102 5.896 1.00 0.61 H new ATOM 0 HG1 THR A 15 1.593 -3.488 7.988 1.00 1.13 H new ATOM 0 HG21 THR A 15 -1.018 -4.199 7.660 1.00 0.88 H new ATOM 0 HG22 THR A 15 -0.851 -5.967 7.771 1.00 0.88 H new ATOM 0 HG23 THR A 15 0.025 -4.917 8.910 1.00 0.88 H new ATOM 234 N PHE A 16 3.684 -5.929 5.599 1.00 0.50 N ATOM 235 CA PHE A 16 4.479 -6.330 4.429 1.00 0.50 C ATOM 236 C PHE A 16 5.230 -7.649 4.647 1.00 0.52 C ATOM 237 O PHE A 16 5.156 -8.550 3.810 1.00 0.55 O ATOM 238 CB PHE A 16 5.452 -5.181 4.112 1.00 0.53 C ATOM 239 CG PHE A 16 6.312 -5.336 2.870 1.00 0.54 C ATOM 240 CD1 PHE A 16 7.525 -6.051 2.923 1.00 1.65 C ATOM 241 CD2 PHE A 16 5.938 -4.694 1.669 1.00 1.75 C ATOM 242 CE1 PHE A 16 8.353 -6.123 1.787 1.00 1.65 C ATOM 243 CE2 PHE A 16 6.782 -4.740 0.544 1.00 1.75 C ATOM 244 CZ PHE A 16 7.988 -5.460 0.603 1.00 0.60 C ATOM 0 H PHE A 16 4.064 -5.124 6.097 1.00 0.50 H new ATOM 0 HA PHE A 16 3.811 -6.513 3.588 1.00 0.50 H new ATOM 0 HB2 PHE A 16 4.873 -4.263 4.012 1.00 0.53 H new ATOM 0 HB3 PHE A 16 6.113 -5.049 4.969 1.00 0.53 H new ATOM 0 HD1 PHE A 16 7.820 -6.545 3.837 1.00 1.65 H new ATOM 0 HD2 PHE A 16 4.998 -4.164 1.614 1.00 1.75 H new ATOM 0 HE1 PHE A 16 9.272 -6.690 1.825 1.00 1.65 H new ATOM 0 HE2 PHE A 16 6.504 -4.223 -0.363 1.00 1.75 H new ATOM 0 HZ PHE A 16 8.634 -5.504 -0.262 1.00 0.60 H new ATOM 254 N HIS A 17 5.941 -7.798 5.773 1.00 0.61 N ATOM 255 CA HIS A 17 6.704 -9.017 6.042 1.00 0.68 C ATOM 256 C HIS A 17 5.801 -10.255 6.219 1.00 0.77 C ATOM 257 O HIS A 17 6.241 -11.379 6.011 1.00 0.94 O ATOM 258 CB HIS A 17 7.643 -8.772 7.231 1.00 0.89 C ATOM 259 CG HIS A 17 8.795 -9.742 7.363 1.00 1.21 C ATOM 260 ND1 HIS A 17 9.599 -9.867 8.470 1.00 2.53 N ATOM 261 CD2 HIS A 17 9.321 -10.571 6.405 1.00 1.60 C ATOM 262 CE1 HIS A 17 10.575 -10.745 8.189 1.00 2.59 C ATOM 263 NE2 HIS A 17 10.447 -11.210 6.939 1.00 1.88 N ATOM 0 H HIS A 17 6.002 -7.092 6.507 1.00 0.61 H new ATOM 0 HA HIS A 17 7.315 -9.252 5.171 1.00 0.68 H new ATOM 0 HB2 HIS A 17 8.048 -7.763 7.149 1.00 0.89 H new ATOM 0 HB3 HIS A 17 7.055 -8.806 8.148 1.00 0.89 H new ATOM 0 HD1 HIS A 17 9.475 -9.376 9.355 1.00 2.53 H new ATOM 0 HD2 HIS A 17 8.932 -10.708 5.407 1.00 1.60 H new ATOM 0 HE1 HIS A 17 11.356 -11.036 8.876 1.00 2.59 H new ATOM 272 N LYS A 18 4.503 -10.060 6.481 1.00 0.76 N ATOM 273 CA LYS A 18 3.475 -11.103 6.435 1.00 0.87 C ATOM 274 C LYS A 18 3.318 -11.782 5.051 1.00 0.82 C ATOM 275 O LYS A 18 2.735 -12.867 4.984 1.00 1.01 O ATOM 276 CB LYS A 18 2.144 -10.483 6.924 1.00 0.96 C ATOM 277 CG LYS A 18 1.380 -11.304 7.973 1.00 1.35 C ATOM 278 CD LYS A 18 0.855 -12.637 7.437 1.00 2.31 C ATOM 279 CE LYS A 18 -0.099 -13.270 8.455 1.00 2.75 C ATOM 280 NZ LYS A 18 -0.685 -14.525 7.928 1.00 4.29 N ATOM 0 H LYS A 18 4.130 -9.146 6.738 1.00 0.76 H new ATOM 0 HA LYS A 18 3.788 -11.915 7.092 1.00 0.87 H new ATOM 0 HB2 LYS A 18 2.353 -9.498 7.341 1.00 0.96 H new ATOM 0 HB3 LYS A 18 1.495 -10.333 6.062 1.00 0.96 H new ATOM 0 HG2 LYS A 18 2.036 -11.495 8.822 1.00 1.35 H new ATOM 0 HG3 LYS A 18 0.542 -10.715 8.345 1.00 1.35 H new ATOM 0 HD2 LYS A 18 0.338 -12.480 6.490 1.00 2.31 H new ATOM 0 HD3 LYS A 18 1.687 -13.312 7.237 1.00 2.31 H new ATOM 0 HE2 LYS A 18 0.437 -13.476 9.381 1.00 2.75 H new ATOM 0 HE3 LYS A 18 -0.896 -12.567 8.698 1.00 2.75 H new ATOM 0 HZ1 LYS A 18 -1.327 -14.933 8.637 1.00 4.29 H new ATOM 0 HZ2 LYS A 18 -1.216 -14.321 7.057 1.00 4.29 H new ATOM 0 HZ3 LYS A 18 0.076 -15.203 7.719 1.00 4.29 H new ATOM 294 N TYR A 19 3.791 -11.161 3.957 1.00 0.69 N ATOM 295 CA TYR A 19 3.670 -11.672 2.578 1.00 0.77 C ATOM 296 C TYR A 19 5.009 -11.848 1.837 1.00 0.81 C ATOM 297 O TYR A 19 5.134 -12.792 1.059 1.00 1.37 O ATOM 298 CB TYR A 19 2.738 -10.751 1.777 1.00 0.75 C ATOM 299 CG TYR A 19 1.295 -10.822 2.219 1.00 0.81 C ATOM 300 CD1 TYR A 19 0.864 -10.057 3.317 1.00 1.79 C ATOM 301 CD2 TYR A 19 0.390 -11.674 1.552 1.00 1.95 C ATOM 302 CE1 TYR A 19 -0.461 -10.156 3.768 1.00 1.80 C ATOM 303 CE2 TYR A 19 -0.941 -11.775 2.000 1.00 2.06 C ATOM 304 CZ TYR A 19 -1.367 -11.023 3.115 1.00 1.05 C ATOM 305 OH TYR A 19 -2.645 -11.143 3.558 1.00 1.21 O ATOM 0 H TYR A 19 4.280 -10.267 4.007 1.00 0.69 H new ATOM 0 HA TYR A 19 3.254 -12.676 2.660 1.00 0.77 H new ATOM 0 HB2 TYR A 19 3.088 -9.723 1.870 1.00 0.75 H new ATOM 0 HB3 TYR A 19 2.800 -11.014 0.721 1.00 0.75 H new ATOM 0 HD1 TYR A 19 1.554 -9.392 3.814 1.00 1.79 H new ATOM 0 HD2 TYR A 19 0.718 -12.248 0.698 1.00 1.95 H new ATOM 0 HE1 TYR A 19 -0.789 -9.570 4.614 1.00 1.80 H new ATOM 0 HE2 TYR A 19 -1.635 -12.427 1.491 1.00 2.06 H new ATOM 0 HH TYR A 19 -3.129 -11.780 2.992 1.00 1.21 H new ATOM 315 N SER A 20 6.018 -11.015 2.100 1.00 0.61 N ATOM 316 CA SER A 20 7.400 -11.247 1.634 1.00 0.67 C ATOM 317 C SER A 20 8.126 -12.331 2.454 1.00 0.83 C ATOM 318 O SER A 20 8.931 -13.094 1.923 1.00 1.39 O ATOM 319 CB SER A 20 8.171 -9.923 1.692 1.00 0.78 C ATOM 320 OG SER A 20 8.367 -9.492 3.030 1.00 1.52 O ATOM 0 H SER A 20 5.907 -10.158 2.642 1.00 0.61 H new ATOM 0 HA SER A 20 7.356 -11.614 0.609 1.00 0.67 H new ATOM 0 HB2 SER A 20 9.137 -10.042 1.202 1.00 0.78 H new ATOM 0 HB3 SER A 20 7.625 -9.159 1.139 1.00 0.78 H new ATOM 0 HG SER A 20 9.275 -9.138 3.130 1.00 1.52 H new ATOM 326 N GLY A 21 7.773 -12.497 3.738 1.00 0.88 N ATOM 327 CA GLY A 21 8.296 -13.535 4.638 1.00 1.12 C ATOM 328 C GLY A 21 7.723 -14.929 4.358 1.00 1.21 C ATOM 329 O GLY A 21 7.573 -15.728 5.279 1.00 1.69 O ATOM 0 H GLY A 21 7.091 -11.890 4.194 1.00 0.88 H new ATOM 0 HA2 GLY A 21 9.382 -13.571 4.546 1.00 1.12 H new ATOM 0 HA3 GLY A 21 8.072 -13.259 5.668 1.00 1.12 H new ATOM 332 N ARG A 22 7.370 -15.203 3.093 1.00 1.20 N ATOM 333 CA ARG A 22 6.781 -16.462 2.615 1.00 1.42 C ATOM 334 C ARG A 22 7.638 -17.184 1.572 1.00 1.68 C ATOM 335 O ARG A 22 7.672 -18.407 1.578 1.00 2.18 O ATOM 336 CB ARG A 22 5.436 -16.186 1.968 1.00 1.49 C ATOM 337 CG ARG A 22 4.469 -15.503 2.934 1.00 2.04 C ATOM 338 CD ARG A 22 3.023 -15.694 2.494 1.00 2.32 C ATOM 339 NE ARG A 22 2.808 -15.533 1.041 1.00 1.81 N ATOM 340 CZ ARG A 22 2.569 -16.494 0.153 1.00 2.31 C ATOM 341 NH1 ARG A 22 2.719 -17.771 0.440 1.00 3.36 N ATOM 342 NH2 ARG A 22 2.159 -16.192 -1.056 1.00 3.08 N ATOM 0 H ARG A 22 7.493 -14.523 2.343 1.00 1.20 H new ATOM 0 HA ARG A 22 6.697 -17.100 3.495 1.00 1.42 H new ATOM 0 HB2 ARG A 22 5.578 -15.556 1.090 1.00 1.49 H new ATOM 0 HB3 ARG A 22 5.001 -17.123 1.621 1.00 1.49 H new ATOM 0 HG2 ARG A 22 4.604 -15.910 3.936 1.00 2.04 H new ATOM 0 HG3 ARG A 22 4.697 -14.439 2.989 1.00 2.04 H new ATOM 0 HD2 ARG A 22 2.693 -16.689 2.791 1.00 2.32 H new ATOM 0 HD3 ARG A 22 2.395 -14.978 3.025 1.00 2.32 H new ATOM 0 HE ARG A 22 2.847 -14.580 0.679 1.00 1.81 H new ATOM 0 HH11 ARG A 22 3.028 -18.052 1.371 1.00 3.36 H new ATOM 0 HH12 ARG A 22 2.526 -18.479 -0.268 1.00 3.36 H new ATOM 0 HH21 ARG A 22 2.022 -15.216 -1.319 1.00 3.08 H new ATOM 0 HH22 ARG A 22 1.977 -16.933 -1.733 1.00 3.08 H new ATOM 356 N GLU A 23 8.221 -16.408 0.660 1.00 1.61 N ATOM 357 CA GLU A 23 9.078 -16.764 -0.477 1.00 2.09 C ATOM 358 C GLU A 23 9.368 -15.475 -1.256 1.00 2.60 C ATOM 359 O GLU A 23 8.605 -14.509 -1.137 1.00 4.00 O ATOM 360 CB GLU A 23 8.457 -17.835 -1.401 1.00 2.57 C ATOM 361 CG GLU A 23 9.076 -19.238 -1.250 1.00 3.91 C ATOM 362 CD GLU A 23 10.524 -19.332 -1.740 1.00 5.41 C ATOM 363 OE1 GLU A 23 11.067 -18.296 -2.174 1.00 5.96 O ATOM 364 OE2 GLU A 23 11.062 -20.458 -1.685 1.00 6.69 O ATOM 0 H GLU A 23 8.091 -15.397 0.703 1.00 1.61 H new ATOM 0 HA GLU A 23 9.995 -17.213 -0.096 1.00 2.09 H new ATOM 0 HB2 GLU A 23 7.388 -17.898 -1.197 1.00 2.57 H new ATOM 0 HB3 GLU A 23 8.566 -17.512 -2.436 1.00 2.57 H new ATOM 0 HG2 GLU A 23 9.038 -19.530 -0.201 1.00 3.91 H new ATOM 0 HG3 GLU A 23 8.468 -19.954 -1.803 1.00 3.91 H new ATOM 371 N GLY A 24 10.457 -15.454 -2.025 1.00 2.59 N ATOM 372 CA GLY A 24 11.112 -14.219 -2.484 1.00 3.18 C ATOM 373 C GLY A 24 12.218 -13.827 -1.504 1.00 2.26 C ATOM 374 O GLY A 24 13.131 -14.611 -1.254 1.00 2.88 O ATOM 0 H GLY A 24 10.918 -16.302 -2.353 1.00 2.59 H new ATOM 0 HA2 GLY A 24 11.531 -14.366 -3.480 1.00 3.18 H new ATOM 0 HA3 GLY A 24 10.380 -13.415 -2.562 1.00 3.18 H new ATOM 377 N SER A 25 12.155 -12.641 -0.898 1.00 1.73 N ATOM 378 CA SER A 25 12.978 -12.327 0.277 1.00 1.10 C ATOM 379 C SER A 25 12.314 -11.278 1.168 1.00 1.15 C ATOM 380 O SER A 25 11.346 -10.636 0.786 1.00 1.63 O ATOM 381 CB SER A 25 14.411 -11.925 -0.112 1.00 2.13 C ATOM 382 OG SER A 25 15.232 -11.818 1.052 1.00 3.60 O ATOM 0 H SER A 25 11.545 -11.881 -1.199 1.00 1.73 H new ATOM 0 HA SER A 25 13.057 -13.243 0.863 1.00 1.10 H new ATOM 0 HB2 SER A 25 14.831 -12.665 -0.794 1.00 2.13 H new ATOM 0 HB3 SER A 25 14.397 -10.973 -0.643 1.00 2.13 H new ATOM 0 HG SER A 25 16.089 -12.265 0.890 1.00 3.60 H new ATOM 388 N LYS A 26 12.829 -11.061 2.381 1.00 1.10 N ATOM 389 CA LYS A 26 12.165 -10.231 3.401 1.00 1.20 C ATOM 390 C LYS A 26 11.828 -8.815 2.892 1.00 1.14 C ATOM 391 O LYS A 26 10.786 -8.262 3.258 1.00 1.43 O ATOM 392 CB LYS A 26 13.025 -10.188 4.680 1.00 1.67 C ATOM 393 CG LYS A 26 13.279 -11.574 5.308 1.00 1.43 C ATOM 394 CD LYS A 26 14.608 -12.231 4.909 1.00 2.24 C ATOM 395 CE LYS A 26 15.782 -11.616 5.684 1.00 2.81 C ATOM 396 NZ LYS A 26 17.085 -12.131 5.195 1.00 4.03 N ATOM 0 H LYS A 26 13.719 -11.454 2.688 1.00 1.10 H new ATOM 0 HA LYS A 26 11.207 -10.695 3.635 1.00 1.20 H new ATOM 0 HB2 LYS A 26 13.983 -9.724 4.446 1.00 1.67 H new ATOM 0 HB3 LYS A 26 12.534 -9.551 5.415 1.00 1.67 H new ATOM 0 HG2 LYS A 26 13.250 -11.476 6.393 1.00 1.43 H new ATOM 0 HG3 LYS A 26 12.463 -12.239 5.027 1.00 1.43 H new ATOM 0 HD2 LYS A 26 14.561 -13.302 5.104 1.00 2.24 H new ATOM 0 HD3 LYS A 26 14.771 -12.109 3.838 1.00 2.24 H new ATOM 0 HE2 LYS A 26 15.757 -10.531 5.583 1.00 2.81 H new ATOM 0 HE3 LYS A 26 15.676 -11.840 6.745 1.00 2.81 H new ATOM 0 HZ1 LYS A 26 17.829 -11.904 5.885 1.00 4.03 H new ATOM 0 HZ2 LYS A 26 17.027 -13.162 5.074 1.00 4.03 H new ATOM 0 HZ3 LYS A 26 17.313 -11.688 4.282 1.00 4.03 H new ATOM 410 N LEU A 27 12.667 -8.281 1.993 1.00 1.12 N ATOM 411 CA LEU A 27 12.581 -6.930 1.444 1.00 1.19 C ATOM 412 C LEU A 27 11.644 -6.765 0.237 1.00 0.87 C ATOM 413 O LEU A 27 11.257 -5.626 -0.039 1.00 0.89 O ATOM 414 CB LEU A 27 14.005 -6.411 1.131 1.00 1.62 C ATOM 415 CG LEU A 27 14.774 -7.077 -0.036 1.00 3.28 C ATOM 416 CD1 LEU A 27 15.841 -6.106 -0.560 1.00 3.80 C ATOM 417 CD2 LEU A 27 15.475 -8.375 0.389 1.00 4.48 C ATOM 0 H LEU A 27 13.456 -8.805 1.616 1.00 1.12 H new ATOM 0 HA LEU A 27 12.114 -6.320 2.218 1.00 1.19 H new ATOM 0 HB2 LEU A 27 13.934 -5.344 0.920 1.00 1.62 H new ATOM 0 HB3 LEU A 27 14.607 -6.518 2.033 1.00 1.62 H new ATOM 0 HG LEU A 27 14.042 -7.320 -0.806 1.00 3.28 H new ATOM 0 HD11 LEU A 27 16.385 -6.572 -1.382 1.00 3.80 H new ATOM 0 HD12 LEU A 27 15.361 -5.194 -0.913 1.00 3.80 H new ATOM 0 HD13 LEU A 27 16.537 -5.862 0.243 1.00 3.80 H new ATOM 0 HD21 LEU A 27 15.999 -8.802 -0.466 1.00 4.48 H new ATOM 0 HD22 LEU A 27 16.190 -8.159 1.183 1.00 4.48 H new ATOM 0 HD23 LEU A 27 14.734 -9.087 0.752 1.00 4.48 H new ATOM 429 N THR A 28 11.269 -7.852 -0.463 1.00 0.75 N ATOM 430 CA THR A 28 10.534 -7.774 -1.736 1.00 0.68 C ATOM 431 C THR A 28 9.567 -8.934 -1.963 1.00 0.78 C ATOM 432 O THR A 28 9.782 -10.056 -1.515 1.00 1.22 O ATOM 433 CB THR A 28 11.486 -7.667 -2.936 1.00 0.74 C ATOM 434 OG1 THR A 28 12.497 -8.635 -2.881 1.00 1.00 O ATOM 435 CG2 THR A 28 12.146 -6.301 -3.105 1.00 1.08 C ATOM 0 H THR A 28 11.467 -8.806 -0.162 1.00 0.75 H new ATOM 0 HA THR A 28 9.939 -6.864 -1.656 1.00 0.68 H new ATOM 0 HB THR A 28 10.838 -7.830 -3.797 1.00 0.74 H new ATOM 0 HG1 THR A 28 12.801 -8.843 -3.789 1.00 1.00 H new ATOM 0 HG21 THR A 28 12.800 -6.318 -3.977 1.00 1.08 H new ATOM 0 HG22 THR A 28 11.378 -5.540 -3.243 1.00 1.08 H new ATOM 0 HG23 THR A 28 12.732 -6.068 -2.216 1.00 1.08 H new ATOM 443 N LEU A 29 8.477 -8.666 -2.683 1.00 0.61 N ATOM 444 CA LEU A 29 7.489 -9.673 -3.106 1.00 0.67 C ATOM 445 C LEU A 29 6.866 -9.328 -4.459 1.00 0.63 C ATOM 446 O LEU A 29 6.852 -8.164 -4.851 1.00 0.79 O ATOM 447 CB LEU A 29 6.415 -9.889 -2.018 1.00 0.87 C ATOM 448 CG LEU A 29 5.326 -8.800 -1.881 1.00 0.95 C ATOM 449 CD1 LEU A 29 4.351 -9.232 -0.783 1.00 1.26 C ATOM 450 CD2 LEU A 29 5.865 -7.418 -1.496 1.00 1.02 C ATOM 0 H LEU A 29 8.247 -7.724 -2.998 1.00 0.61 H new ATOM 0 HA LEU A 29 8.019 -10.616 -3.237 1.00 0.67 H new ATOM 0 HB2 LEU A 29 5.920 -10.840 -2.215 1.00 0.87 H new ATOM 0 HB3 LEU A 29 6.921 -9.985 -1.057 1.00 0.87 H new ATOM 0 HG LEU A 29 4.859 -8.706 -2.861 1.00 0.95 H new ATOM 0 HD11 LEU A 29 3.573 -8.477 -0.669 1.00 1.26 H new ATOM 0 HD12 LEU A 29 3.895 -10.184 -1.055 1.00 1.26 H new ATOM 0 HD13 LEU A 29 4.889 -9.343 0.158 1.00 1.26 H new ATOM 0 HD21 LEU A 29 5.037 -6.713 -1.421 1.00 1.02 H new ATOM 0 HD22 LEU A 29 6.376 -7.481 -0.535 1.00 1.02 H new ATOM 0 HD23 LEU A 29 6.565 -7.075 -2.258 1.00 1.02 H new ATOM 462 N SER A 30 6.327 -10.313 -5.178 1.00 0.77 N ATOM 463 CA SER A 30 5.751 -10.088 -6.509 1.00 0.76 C ATOM 464 C SER A 30 4.452 -9.267 -6.464 1.00 0.90 C ATOM 465 O SER A 30 3.642 -9.412 -5.541 1.00 1.16 O ATOM 466 CB SER A 30 5.546 -11.405 -7.265 1.00 0.95 C ATOM 467 OG SER A 30 4.840 -12.344 -6.471 1.00 1.60 O ATOM 0 H SER A 30 6.276 -11.281 -4.861 1.00 0.77 H new ATOM 0 HA SER A 30 6.480 -9.493 -7.059 1.00 0.76 H new ATOM 0 HB2 SER A 30 4.996 -11.217 -8.187 1.00 0.95 H new ATOM 0 HB3 SER A 30 6.513 -11.819 -7.550 1.00 0.95 H new ATOM 0 HG SER A 30 4.720 -13.175 -6.976 1.00 1.60 H new ATOM 473 N ARG A 31 4.246 -8.376 -7.447 1.00 0.83 N ATOM 474 CA ARG A 31 3.359 -7.213 -7.280 1.00 0.93 C ATOM 475 C ARG A 31 1.949 -7.546 -6.742 1.00 1.15 C ATOM 476 O ARG A 31 1.406 -6.827 -5.904 1.00 1.54 O ATOM 477 CB ARG A 31 3.208 -6.398 -8.575 1.00 1.13 C ATOM 478 CG ARG A 31 4.405 -6.208 -9.519 1.00 1.31 C ATOM 479 CD ARG A 31 5.560 -5.343 -9.001 1.00 1.85 C ATOM 480 NE ARG A 31 5.418 -3.932 -9.413 1.00 2.03 N ATOM 481 CZ ARG A 31 6.360 -2.987 -9.359 1.00 2.53 C ATOM 482 NH1 ARG A 31 7.616 -3.201 -9.022 1.00 3.21 N ATOM 483 NH2 ARG A 31 6.040 -1.732 -9.580 1.00 3.01 N ATOM 0 H ARG A 31 4.682 -8.439 -8.367 1.00 0.83 H new ATOM 0 HA ARG A 31 3.869 -6.619 -6.521 1.00 0.93 H new ATOM 0 HB2 ARG A 31 2.410 -6.861 -9.156 1.00 1.13 H new ATOM 0 HB3 ARG A 31 2.861 -5.405 -8.292 1.00 1.13 H new ATOM 0 HG2 ARG A 31 4.802 -7.192 -9.767 1.00 1.31 H new ATOM 0 HG3 ARG A 31 4.040 -5.768 -10.447 1.00 1.31 H new ATOM 0 HD2 ARG A 31 5.598 -5.402 -7.913 1.00 1.85 H new ATOM 0 HD3 ARG A 31 6.505 -5.737 -9.375 1.00 1.85 H new ATOM 0 HE ARG A 31 4.507 -3.650 -9.776 1.00 2.03 H new ATOM 0 HH11 ARG A 31 7.926 -4.142 -8.779 1.00 3.21 H new ATOM 0 HH12 ARG A 31 8.278 -2.426 -9.004 1.00 3.21 H new ATOM 0 HH21 ARG A 31 5.074 -1.482 -9.792 1.00 3.01 H new ATOM 0 HH22 ARG A 31 6.757 -1.008 -9.539 1.00 3.01 H new ATOM 497 N LYS A 32 1.341 -8.641 -7.221 1.00 1.10 N ATOM 498 CA LYS A 32 0.005 -9.093 -6.807 1.00 1.29 C ATOM 499 C LYS A 32 -0.105 -9.454 -5.310 1.00 1.17 C ATOM 500 O LYS A 32 -1.185 -9.288 -4.738 1.00 1.36 O ATOM 501 CB LYS A 32 -0.428 -10.242 -7.746 1.00 1.50 C ATOM 502 CG LYS A 32 -1.790 -10.867 -7.403 1.00 2.64 C ATOM 503 CD LYS A 32 -1.644 -12.085 -6.476 1.00 3.93 C ATOM 504 CE LYS A 32 -2.924 -12.304 -5.657 1.00 5.82 C ATOM 505 NZ LYS A 32 -2.757 -13.387 -4.664 1.00 7.69 N ATOM 0 H LYS A 32 1.771 -9.248 -7.919 1.00 1.10 H new ATOM 0 HA LYS A 32 -0.689 -8.259 -6.907 1.00 1.29 H new ATOM 0 HB2 LYS A 32 -0.462 -9.865 -8.768 1.00 1.50 H new ATOM 0 HB3 LYS A 32 0.333 -11.022 -7.719 1.00 1.50 H new ATOM 0 HG2 LYS A 32 -2.422 -10.120 -6.924 1.00 2.64 H new ATOM 0 HG3 LYS A 32 -2.293 -11.168 -8.322 1.00 2.64 H new ATOM 0 HD2 LYS A 32 -1.429 -12.975 -7.068 1.00 3.93 H new ATOM 0 HD3 LYS A 32 -0.798 -11.937 -5.805 1.00 3.93 H new ATOM 0 HE2 LYS A 32 -3.192 -11.379 -5.146 1.00 5.82 H new ATOM 0 HE3 LYS A 32 -3.748 -12.548 -6.327 1.00 5.82 H new ATOM 0 HZ1 LYS A 32 -3.635 -13.496 -4.118 1.00 7.69 H new ATOM 0 HZ2 LYS A 32 -2.542 -14.278 -5.155 1.00 7.69 H new ATOM 0 HZ3 LYS A 32 -1.976 -13.150 -4.020 1.00 7.69 H new ATOM 519 N GLU A 33 0.961 -9.908 -4.647 1.00 0.99 N ATOM 520 CA GLU A 33 0.882 -10.266 -3.224 1.00 1.00 C ATOM 521 C GLU A 33 0.760 -9.032 -2.320 1.00 1.17 C ATOM 522 O GLU A 33 0.071 -9.086 -1.304 1.00 1.41 O ATOM 523 CB GLU A 33 2.069 -11.148 -2.807 1.00 0.97 C ATOM 524 CG GLU A 33 2.033 -12.547 -3.437 1.00 1.58 C ATOM 525 CD GLU A 33 0.796 -13.330 -2.994 1.00 1.79 C ATOM 526 OE1 GLU A 33 0.867 -13.997 -1.939 1.00 2.55 O ATOM 527 OE2 GLU A 33 -0.238 -13.249 -3.695 1.00 2.84 O ATOM 0 H GLU A 33 1.882 -10.037 -5.066 1.00 0.99 H new ATOM 0 HA GLU A 33 -0.032 -10.846 -3.092 1.00 1.00 H new ATOM 0 HB2 GLU A 33 2.998 -10.653 -3.090 1.00 0.97 H new ATOM 0 HB3 GLU A 33 2.077 -11.245 -1.721 1.00 0.97 H new ATOM 0 HG2 GLU A 33 2.039 -12.458 -4.523 1.00 1.58 H new ATOM 0 HG3 GLU A 33 2.932 -13.096 -3.157 1.00 1.58 H new ATOM 534 N LEU A 34 1.300 -7.875 -2.729 1.00 1.13 N ATOM 535 CA LEU A 34 0.997 -6.608 -2.057 1.00 1.32 C ATOM 536 C LEU A 34 -0.464 -6.192 -2.257 1.00 1.35 C ATOM 537 O LEU A 34 -1.120 -5.769 -1.307 1.00 1.45 O ATOM 538 CB LEU A 34 1.943 -5.515 -2.562 1.00 1.46 C ATOM 539 CG LEU A 34 1.934 -4.277 -1.650 1.00 2.01 C ATOM 540 CD1 LEU A 34 2.774 -4.554 -0.395 1.00 2.19 C ATOM 541 CD2 LEU A 34 2.477 -3.043 -2.384 1.00 2.12 C ATOM 0 H LEU A 34 1.944 -7.792 -3.516 1.00 1.13 H new ATOM 0 HA LEU A 34 1.147 -6.749 -0.987 1.00 1.32 H new ATOM 0 HB2 LEU A 34 2.956 -5.913 -2.623 1.00 1.46 H new ATOM 0 HB3 LEU A 34 1.654 -5.223 -3.572 1.00 1.46 H new ATOM 0 HG LEU A 34 0.903 -4.071 -1.361 1.00 2.01 H new ATOM 0 HD11 LEU A 34 2.766 -3.675 0.250 1.00 2.19 H new ATOM 0 HD12 LEU A 34 2.354 -5.403 0.144 1.00 2.19 H new ATOM 0 HD13 LEU A 34 3.800 -4.781 -0.686 1.00 2.19 H new ATOM 0 HD21 LEU A 34 2.458 -2.184 -1.714 1.00 2.12 H new ATOM 0 HD22 LEU A 34 3.502 -3.232 -2.704 1.00 2.12 H new ATOM 0 HD23 LEU A 34 1.857 -2.836 -3.256 1.00 2.12 H new ATOM 553 N LYS A 35 -1.028 -6.347 -3.463 1.00 1.35 N ATOM 554 CA LYS A 35 -2.465 -6.121 -3.660 1.00 1.51 C ATOM 555 C LYS A 35 -3.303 -7.021 -2.734 1.00 1.55 C ATOM 556 O LYS A 35 -4.347 -6.595 -2.240 1.00 1.76 O ATOM 557 CB LYS A 35 -2.855 -6.390 -5.123 1.00 1.63 C ATOM 558 CG LYS A 35 -4.223 -5.758 -5.426 1.00 2.03 C ATOM 559 CD LYS A 35 -4.927 -6.390 -6.626 1.00 1.82 C ATOM 560 CE LYS A 35 -4.323 -5.927 -7.951 1.00 2.21 C ATOM 561 NZ LYS A 35 -5.184 -6.314 -9.084 1.00 3.10 N ATOM 0 H LYS A 35 -0.520 -6.623 -4.303 1.00 1.35 H new ATOM 0 HA LYS A 35 -2.671 -5.079 -3.414 1.00 1.51 H new ATOM 0 HB2 LYS A 35 -2.099 -5.978 -5.791 1.00 1.63 H new ATOM 0 HB3 LYS A 35 -2.892 -7.464 -5.307 1.00 1.63 H new ATOM 0 HG2 LYS A 35 -4.862 -5.852 -4.548 1.00 2.03 H new ATOM 0 HG3 LYS A 35 -4.090 -4.692 -5.611 1.00 2.03 H new ATOM 0 HD2 LYS A 35 -4.859 -7.476 -6.556 1.00 1.82 H new ATOM 0 HD3 LYS A 35 -5.986 -6.134 -6.601 1.00 1.82 H new ATOM 0 HE2 LYS A 35 -4.195 -4.845 -7.939 1.00 2.21 H new ATOM 0 HE3 LYS A 35 -3.332 -6.363 -8.076 1.00 2.21 H new ATOM 0 HZ1 LYS A 35 -5.199 -5.547 -9.786 1.00 3.10 H new ATOM 0 HZ2 LYS A 35 -4.811 -7.179 -9.524 1.00 3.10 H new ATOM 0 HZ3 LYS A 35 -6.150 -6.489 -8.742 1.00 3.10 H new ATOM 575 N GLU A 36 -2.836 -8.249 -2.509 1.00 1.39 N ATOM 576 CA GLU A 36 -3.510 -9.246 -1.702 1.00 1.44 C ATOM 577 C GLU A 36 -3.516 -8.839 -0.227 1.00 1.52 C ATOM 578 O GLU A 36 -4.567 -8.916 0.402 1.00 1.75 O ATOM 579 CB GLU A 36 -2.834 -10.610 -1.919 1.00 1.41 C ATOM 580 CG GLU A 36 -3.670 -11.792 -1.439 1.00 1.64 C ATOM 581 CD GLU A 36 -4.843 -12.077 -2.370 1.00 1.88 C ATOM 582 OE1 GLU A 36 -5.767 -11.243 -2.466 1.00 2.37 O ATOM 583 OE2 GLU A 36 -4.890 -13.188 -2.933 1.00 2.89 O ATOM 0 H GLU A 36 -1.953 -8.579 -2.898 1.00 1.39 H new ATOM 0 HA GLU A 36 -4.553 -9.324 -2.010 1.00 1.44 H new ATOM 0 HB2 GLU A 36 -2.620 -10.735 -2.981 1.00 1.41 H new ATOM 0 HB3 GLU A 36 -1.877 -10.618 -1.398 1.00 1.41 H new ATOM 0 HG2 GLU A 36 -3.039 -12.678 -1.369 1.00 1.64 H new ATOM 0 HG3 GLU A 36 -4.045 -11.588 -0.436 1.00 1.64 H new ATOM 590 N LEU A 37 -2.408 -8.300 0.293 1.00 1.38 N ATOM 591 CA LEU A 37 -2.367 -7.694 1.625 1.00 1.41 C ATOM 592 C LEU A 37 -3.477 -6.648 1.805 1.00 1.52 C ATOM 593 O LEU A 37 -4.282 -6.744 2.736 1.00 1.63 O ATOM 594 CB LEU A 37 -0.954 -7.114 1.849 1.00 1.43 C ATOM 595 CG LEU A 37 -0.818 -6.088 2.995 1.00 1.66 C ATOM 596 CD1 LEU A 37 -1.187 -6.670 4.367 1.00 2.06 C ATOM 597 CD2 LEU A 37 0.616 -5.545 2.989 1.00 1.84 C ATOM 0 H LEU A 37 -1.515 -8.272 -0.199 1.00 1.38 H new ATOM 0 HA LEU A 37 -2.560 -8.450 2.386 1.00 1.41 H new ATOM 0 HB2 LEU A 37 -0.270 -7.940 2.044 1.00 1.43 H new ATOM 0 HB3 LEU A 37 -0.626 -6.641 0.923 1.00 1.43 H new ATOM 0 HG LEU A 37 -1.529 -5.280 2.822 1.00 1.66 H new ATOM 0 HD11 LEU A 37 -1.071 -5.901 5.131 1.00 2.06 H new ATOM 0 HD12 LEU A 37 -2.222 -7.013 4.351 1.00 2.06 H new ATOM 0 HD13 LEU A 37 -0.530 -7.510 4.595 1.00 2.06 H new ATOM 0 HD21 LEU A 37 0.733 -4.818 3.792 1.00 1.84 H new ATOM 0 HD22 LEU A 37 1.317 -6.366 3.138 1.00 1.84 H new ATOM 0 HD23 LEU A 37 0.819 -5.064 2.032 1.00 1.84 H new ATOM 609 N ILE A 38 -3.538 -5.680 0.886 1.00 1.53 N ATOM 610 CA ILE A 38 -4.445 -4.511 0.920 1.00 1.63 C ATOM 611 C ILE A 38 -5.931 -4.907 0.799 1.00 1.66 C ATOM 612 O ILE A 38 -6.807 -4.134 1.176 1.00 1.74 O ATOM 613 CB ILE A 38 -3.979 -3.502 -0.170 1.00 1.61 C ATOM 614 CG1 ILE A 38 -2.566 -2.957 0.172 1.00 1.69 C ATOM 615 CG2 ILE A 38 -4.956 -2.319 -0.364 1.00 1.69 C ATOM 616 CD1 ILE A 38 -1.862 -2.313 -1.027 1.00 1.65 C ATOM 0 H ILE A 38 -2.936 -5.682 0.062 1.00 1.53 H new ATOM 0 HA ILE A 38 -4.383 -4.027 1.894 1.00 1.63 H new ATOM 0 HB ILE A 38 -3.954 -4.055 -1.109 1.00 1.61 H new ATOM 0 HG12 ILE A 38 -2.651 -2.223 0.973 1.00 1.69 H new ATOM 0 HG13 ILE A 38 -1.951 -3.773 0.551 1.00 1.69 H new ATOM 0 HG21 ILE A 38 -4.572 -1.653 -1.137 1.00 1.69 H new ATOM 0 HG22 ILE A 38 -5.933 -2.699 -0.664 1.00 1.69 H new ATOM 0 HG23 ILE A 38 -5.053 -1.770 0.572 1.00 1.69 H new ATOM 0 HD11 ILE A 38 -0.880 -1.952 -0.722 1.00 1.65 H new ATOM 0 HD12 ILE A 38 -1.747 -3.051 -1.821 1.00 1.65 H new ATOM 0 HD13 ILE A 38 -2.458 -1.477 -1.393 1.00 1.65 H new ATOM 628 N LYS A 39 -6.240 -6.102 0.280 1.00 1.71 N ATOM 629 CA LYS A 39 -7.583 -6.678 0.263 1.00 1.82 C ATOM 630 C LYS A 39 -7.867 -7.700 1.380 1.00 1.85 C ATOM 631 O LYS A 39 -9.011 -8.135 1.509 1.00 2.04 O ATOM 632 CB LYS A 39 -7.787 -7.320 -1.119 1.00 1.88 C ATOM 633 CG LYS A 39 -8.246 -6.358 -2.225 1.00 1.93 C ATOM 634 CD LYS A 39 -9.499 -5.521 -1.916 1.00 2.28 C ATOM 635 CE LYS A 39 -10.719 -6.312 -1.410 1.00 3.52 C ATOM 636 NZ LYS A 39 -11.892 -5.419 -1.214 1.00 3.77 N ATOM 0 H LYS A 39 -5.541 -6.708 -0.150 1.00 1.71 H new ATOM 0 HA LYS A 39 -8.290 -5.871 0.454 1.00 1.82 H new ATOM 0 HB2 LYS A 39 -6.850 -7.784 -1.428 1.00 1.88 H new ATOM 0 HB3 LYS A 39 -8.523 -8.119 -1.026 1.00 1.88 H new ATOM 0 HG2 LYS A 39 -7.425 -5.677 -2.450 1.00 1.93 H new ATOM 0 HG3 LYS A 39 -8.435 -6.938 -3.128 1.00 1.93 H new ATOM 0 HD2 LYS A 39 -9.238 -4.772 -1.168 1.00 2.28 H new ATOM 0 HD3 LYS A 39 -9.786 -4.983 -2.819 1.00 2.28 H new ATOM 0 HE2 LYS A 39 -10.970 -7.096 -2.125 1.00 3.52 H new ATOM 0 HE3 LYS A 39 -10.472 -6.805 -0.470 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 -12.746 -5.994 -1.072 1.00 3.77 H new ATOM 0 HZ2 LYS A 39 -11.736 -4.819 -0.379 1.00 3.77 H new ATOM 0 HZ3 LYS A 39 -12.015 -4.818 -2.054 1.00 3.77 H new ATOM 650 N LYS A 40 -6.866 -8.141 2.152 1.00 1.76 N ATOM 651 CA LYS A 40 -7.031 -9.110 3.247 1.00 1.85 C ATOM 652 C LYS A 40 -7.143 -8.486 4.638 1.00 2.05 C ATOM 653 O LYS A 40 -7.844 -9.059 5.469 1.00 2.42 O ATOM 654 CB LYS A 40 -5.857 -10.096 3.214 1.00 1.73 C ATOM 655 CG LYS A 40 -6.175 -11.402 2.491 1.00 2.12 C ATOM 656 CD LYS A 40 -6.828 -11.272 1.109 1.00 1.33 C ATOM 657 CE LYS A 40 -6.832 -12.657 0.465 1.00 1.98 C ATOM 658 NZ LYS A 40 -7.427 -12.631 -0.892 1.00 2.20 N ATOM 0 H LYS A 40 -5.902 -7.830 2.033 1.00 1.76 H new ATOM 0 HA LYS A 40 -7.983 -9.612 3.076 1.00 1.85 H new ATOM 0 HB2 LYS A 40 -5.006 -9.619 2.727 1.00 1.73 H new ATOM 0 HB3 LYS A 40 -5.554 -10.321 4.236 1.00 1.73 H new ATOM 0 HG2 LYS A 40 -5.249 -11.966 2.380 1.00 2.12 H new ATOM 0 HG3 LYS A 40 -6.834 -11.993 3.127 1.00 2.12 H new ATOM 0 HD2 LYS A 40 -7.845 -10.890 1.201 1.00 1.33 H new ATOM 0 HD3 LYS A 40 -6.276 -10.564 0.490 1.00 1.33 H new ATOM 0 HE2 LYS A 40 -5.811 -13.034 0.407 1.00 1.98 H new ATOM 0 HE3 LYS A 40 -7.392 -13.349 1.094 1.00 1.98 H new ATOM 0 HZ1 LYS A 40 -7.146 -13.488 -1.411 1.00 2.20 H new ATOM 0 HZ2 LYS A 40 -8.464 -12.597 -0.816 1.00 2.20 H new ATOM 0 HZ3 LYS A 40 -7.089 -11.790 -1.403 1.00 2.20 H new ATOM 672 N GLU A 41 -6.454 -7.374 4.907 1.00 1.97 N ATOM 673 CA GLU A 41 -6.566 -6.690 6.212 1.00 2.28 C ATOM 674 C GLU A 41 -7.279 -5.331 6.183 1.00 2.39 C ATOM 675 O GLU A 41 -7.694 -4.884 7.247 1.00 2.70 O ATOM 676 CB GLU A 41 -5.216 -6.638 6.956 1.00 2.64 C ATOM 677 CG GLU A 41 -4.127 -5.721 6.394 1.00 2.26 C ATOM 678 CD GLU A 41 -4.388 -4.230 6.608 1.00 3.51 C ATOM 679 OE1 GLU A 41 -4.569 -3.792 7.769 1.00 4.53 O ATOM 680 OE2 GLU A 41 -4.366 -3.520 5.585 1.00 4.46 O ATOM 0 H GLU A 41 -5.816 -6.926 4.249 1.00 1.97 H new ATOM 0 HA GLU A 41 -7.239 -7.321 6.792 1.00 2.28 H new ATOM 0 HB2 GLU A 41 -5.412 -6.334 7.984 1.00 2.64 H new ATOM 0 HB3 GLU A 41 -4.815 -7.651 6.993 1.00 2.64 H new ATOM 0 HG2 GLU A 41 -3.175 -5.981 6.856 1.00 2.26 H new ATOM 0 HG3 GLU A 41 -4.025 -5.910 5.325 1.00 2.26 H new ATOM 687 N LEU A 42 -7.484 -4.691 5.027 1.00 2.25 N ATOM 688 CA LEU A 42 -8.070 -3.359 4.907 1.00 2.07 C ATOM 689 C LEU A 42 -9.412 -3.409 4.175 1.00 1.95 C ATOM 690 O LEU A 42 -9.552 -4.023 3.124 1.00 2.07 O ATOM 691 CB LEU A 42 -7.076 -2.441 4.160 1.00 2.06 C ATOM 692 CG LEU A 42 -6.643 -1.201 4.963 1.00 2.06 C ATOM 693 CD1 LEU A 42 -5.620 -0.400 4.144 1.00 2.02 C ATOM 694 CD2 LEU A 42 -7.834 -0.301 5.342 1.00 2.52 C ATOM 0 H LEU A 42 -7.239 -5.100 4.125 1.00 2.25 H new ATOM 0 HA LEU A 42 -8.259 -2.961 5.904 1.00 2.07 H new ATOM 0 HB2 LEU A 42 -6.190 -3.019 3.898 1.00 2.06 H new ATOM 0 HB3 LEU A 42 -7.531 -2.115 3.225 1.00 2.06 H new ATOM 0 HG LEU A 42 -6.195 -1.547 5.895 1.00 2.06 H new ATOM 0 HD11 LEU A 42 -5.310 0.479 4.709 1.00 2.02 H new ATOM 0 HD12 LEU A 42 -4.750 -1.024 3.938 1.00 2.02 H new ATOM 0 HD13 LEU A 42 -6.072 -0.086 3.203 1.00 2.02 H new ATOM 0 HD21 LEU A 42 -7.475 0.559 5.907 1.00 2.52 H new ATOM 0 HD22 LEU A 42 -8.333 0.043 4.436 1.00 2.52 H new ATOM 0 HD23 LEU A 42 -8.538 -0.867 5.952 1.00 2.52 H new ATOM 706 N CYS A 43 -10.384 -2.647 4.665 1.00 1.97 N ATOM 707 CA CYS A 43 -11.685 -2.390 4.022 1.00 2.02 C ATOM 708 C CYS A 43 -11.621 -1.400 2.827 1.00 1.78 C ATOM 709 O CYS A 43 -12.609 -0.769 2.454 1.00 2.83 O ATOM 710 CB CYS A 43 -12.659 -1.937 5.125 1.00 2.67 C ATOM 711 SG CYS A 43 -11.952 -0.544 6.053 1.00 4.57 S ATOM 0 H CYS A 43 -10.291 -2.167 5.560 1.00 1.97 H new ATOM 0 HA CYS A 43 -12.039 -3.310 3.556 1.00 2.02 H new ATOM 0 HB2 CYS A 43 -13.610 -1.643 4.682 1.00 2.67 H new ATOM 0 HB3 CYS A 43 -12.865 -2.767 5.801 1.00 2.67 H new ATOM 0 HG CYS A 43 -12.702 -0.283 7.083 1.00 4.57 H new ATOM 717 N LEU A 44 -10.429 -1.185 2.263 1.00 1.98 N ATOM 718 CA LEU A 44 -10.134 -0.088 1.357 1.00 2.69 C ATOM 719 C LEU A 44 -10.533 -0.344 -0.100 1.00 3.41 C ATOM 720 O LEU A 44 -10.751 0.607 -0.853 1.00 4.08 O ATOM 721 CB LEU A 44 -8.614 0.166 1.451 1.00 3.35 C ATOM 722 CG LEU A 44 -8.320 1.662 1.348 1.00 2.75 C ATOM 723 CD1 LEU A 44 -8.442 2.371 2.705 1.00 3.18 C ATOM 724 CD2 LEU A 44 -6.949 1.913 0.710 1.00 3.97 C ATOM 0 H LEU A 44 -9.625 -1.790 2.433 1.00 1.98 H new ATOM 0 HA LEU A 44 -10.727 0.775 1.660 1.00 2.69 H new ATOM 0 HB2 LEU A 44 -8.231 -0.223 2.394 1.00 3.35 H new ATOM 0 HB3 LEU A 44 -8.099 -0.369 0.653 1.00 3.35 H new ATOM 0 HG LEU A 44 -9.079 2.093 0.696 1.00 2.75 H new ATOM 0 HD11 LEU A 44 -8.224 3.432 2.582 1.00 3.18 H new ATOM 0 HD12 LEU A 44 -9.455 2.251 3.089 1.00 3.18 H new ATOM 0 HD13 LEU A 44 -7.733 1.934 3.409 1.00 3.18 H new ATOM 0 HD21 LEU A 44 -6.767 2.986 0.650 1.00 3.97 H new ATOM 0 HD22 LEU A 44 -6.174 1.447 1.318 1.00 3.97 H new ATOM 0 HD23 LEU A 44 -6.930 1.485 -0.292 1.00 3.97 H new ATOM 736 N GLY A 45 -10.554 -1.601 -0.543 1.00 3.76 N ATOM 737 CA GLY A 45 -10.652 -2.006 -1.952 1.00 4.72 C ATOM 738 C GLY A 45 -12.089 -2.211 -2.423 1.00 4.37 C ATOM 739 O GLY A 45 -12.382 -3.214 -3.069 1.00 5.13 O ATOM 0 H GLY A 45 -10.501 -2.398 0.091 1.00 3.76 H new ATOM 0 HA2 GLY A 45 -10.178 -1.247 -2.575 1.00 4.72 H new ATOM 0 HA3 GLY A 45 -10.094 -2.931 -2.096 1.00 4.72 H new ATOM 742 N GLU A 46 -12.940 -1.246 -2.081 1.00 3.74 N ATOM 743 CA GLU A 46 -14.362 -1.151 -2.409 1.00 3.96 C ATOM 744 C GLU A 46 -14.859 0.294 -2.213 1.00 3.54 C ATOM 745 O GLU A 46 -15.576 0.813 -3.060 1.00 4.22 O ATOM 746 CB GLU A 46 -15.198 -2.163 -1.599 1.00 4.41 C ATOM 747 CG GLU A 46 -14.809 -2.340 -0.116 1.00 4.42 C ATOM 748 CD GLU A 46 -13.832 -3.502 0.088 1.00 5.10 C ATOM 749 OE1 GLU A 46 -14.220 -4.674 -0.123 1.00 6.06 O ATOM 750 OE2 GLU A 46 -12.631 -3.256 0.333 1.00 5.21 O ATOM 0 H GLU A 46 -12.630 -0.449 -1.525 1.00 3.74 H new ATOM 0 HA GLU A 46 -14.491 -1.411 -3.460 1.00 3.96 H new ATOM 0 HB2 GLU A 46 -16.243 -1.857 -1.644 1.00 4.41 H new ATOM 0 HB3 GLU A 46 -15.128 -3.134 -2.089 1.00 4.41 H new ATOM 0 HG2 GLU A 46 -14.358 -1.419 0.253 1.00 4.42 H new ATOM 0 HG3 GLU A 46 -15.708 -2.514 0.476 1.00 4.42 H new ATOM 757 N MET A 47 -14.405 0.990 -1.156 1.00 2.85 N ATOM 758 CA MET A 47 -14.760 2.395 -0.886 1.00 2.65 C ATOM 759 C MET A 47 -14.374 3.388 -2.001 1.00 2.30 C ATOM 760 O MET A 47 -14.972 4.455 -2.101 1.00 2.43 O ATOM 761 CB MET A 47 -14.089 2.851 0.411 1.00 2.69 C ATOM 762 CG MET A 47 -14.597 2.136 1.664 1.00 3.23 C ATOM 763 SD MET A 47 -14.123 2.968 3.202 1.00 3.22 S ATOM 764 CE MET A 47 -12.368 3.263 2.876 1.00 2.20 C ATOM 0 H MET A 47 -13.776 0.590 -0.459 1.00 2.85 H new ATOM 0 HA MET A 47 -15.848 2.408 -0.818 1.00 2.65 H new ATOM 0 HB2 MET A 47 -13.014 2.692 0.326 1.00 2.69 H new ATOM 0 HB3 MET A 47 -14.244 3.923 0.530 1.00 2.69 H new ATOM 0 HG2 MET A 47 -15.684 2.063 1.618 1.00 3.23 H new ATOM 0 HG3 MET A 47 -14.210 1.117 1.675 1.00 3.23 H new ATOM 0 HE1 MET A 47 -11.912 3.740 3.744 1.00 2.20 H new ATOM 0 HE2 MET A 47 -11.870 2.314 2.680 1.00 2.20 H new ATOM 0 HE3 MET A 47 -12.264 3.914 2.008 1.00 2.20 H new ATOM 774 N LYS A 48 -13.334 3.095 -2.792 1.00 2.52 N ATOM 775 CA LYS A 48 -12.848 3.910 -3.903 1.00 2.31 C ATOM 776 C LYS A 48 -12.833 3.108 -5.220 1.00 2.66 C ATOM 777 O LYS A 48 -12.572 1.905 -5.171 1.00 3.37 O ATOM 778 CB LYS A 48 -11.425 4.376 -3.587 1.00 2.41 C ATOM 779 CG LYS A 48 -11.283 5.032 -2.213 1.00 2.89 C ATOM 780 CD LYS A 48 -10.699 4.076 -1.175 1.00 4.63 C ATOM 781 CE LYS A 48 -9.249 3.701 -1.521 1.00 5.73 C ATOM 782 NZ LYS A 48 -9.119 2.372 -2.171 1.00 7.48 N ATOM 0 H LYS A 48 -12.786 2.244 -2.666 1.00 2.52 H new ATOM 0 HA LYS A 48 -13.517 4.762 -4.027 1.00 2.31 H new ATOM 0 HB2 LYS A 48 -10.752 3.521 -3.643 1.00 2.41 H new ATOM 0 HB3 LYS A 48 -11.106 5.084 -4.352 1.00 2.41 H new ATOM 0 HG2 LYS A 48 -10.643 5.910 -2.296 1.00 2.89 H new ATOM 0 HG3 LYS A 48 -12.259 5.380 -1.876 1.00 2.89 H new ATOM 0 HD2 LYS A 48 -10.732 4.540 -0.189 1.00 4.63 H new ATOM 0 HD3 LYS A 48 -11.309 3.174 -1.123 1.00 4.63 H new ATOM 0 HE2 LYS A 48 -8.833 4.462 -2.182 1.00 5.73 H new ATOM 0 HE3 LYS A 48 -8.652 3.710 -0.609 1.00 5.73 H new ATOM 0 HZ1 LYS A 48 -8.252 1.905 -1.836 1.00 7.48 H new ATOM 0 HZ2 LYS A 48 -9.943 1.785 -1.930 1.00 7.48 H new ATOM 0 HZ3 LYS A 48 -9.071 2.493 -3.203 1.00 7.48 H new ATOM 796 N GLU A 49 -12.965 3.778 -6.367 1.00 2.62 N ATOM 797 CA GLU A 49 -12.909 3.174 -7.705 1.00 3.01 C ATOM 798 C GLU A 49 -12.075 4.034 -8.691 1.00 2.39 C ATOM 799 O GLU A 49 -11.148 4.726 -8.265 1.00 2.70 O ATOM 800 CB GLU A 49 -14.350 2.847 -8.160 1.00 3.93 C ATOM 801 CG GLU A 49 -15.286 4.065 -8.280 1.00 4.28 C ATOM 802 CD GLU A 49 -15.880 4.195 -9.679 1.00 5.44 C ATOM 803 OE1 GLU A 49 -15.054 4.219 -10.624 1.00 5.92 O ATOM 804 OE2 GLU A 49 -17.117 4.303 -9.796 1.00 6.47 O ATOM 0 H GLU A 49 -13.118 4.786 -6.394 1.00 2.62 H new ATOM 0 HA GLU A 49 -12.367 2.229 -7.681 1.00 3.01 H new ATOM 0 HB2 GLU A 49 -14.305 2.345 -9.127 1.00 3.93 H new ATOM 0 HB3 GLU A 49 -14.786 2.140 -7.454 1.00 3.93 H new ATOM 0 HG2 GLU A 49 -16.092 3.976 -7.551 1.00 4.28 H new ATOM 0 HG3 GLU A 49 -14.733 4.972 -8.035 1.00 4.28 H new ATOM 811 N SER A 50 -12.366 3.962 -9.994 1.00 2.54 N ATOM 812 CA SER A 50 -11.681 4.619 -11.121 1.00 2.35 C ATOM 813 C SER A 50 -10.156 4.781 -10.958 1.00 2.36 C ATOM 814 O SER A 50 -9.398 3.835 -11.149 1.00 3.49 O ATOM 815 CB SER A 50 -12.409 5.928 -11.471 1.00 2.28 C ATOM 816 OG SER A 50 -13.630 5.685 -12.147 1.00 3.11 O ATOM 0 H SER A 50 -13.151 3.397 -10.318 1.00 2.54 H new ATOM 0 HA SER A 50 -11.748 3.943 -11.973 1.00 2.35 H new ATOM 0 HB2 SER A 50 -12.604 6.491 -10.558 1.00 2.28 H new ATOM 0 HB3 SER A 50 -11.765 6.547 -12.095 1.00 2.28 H new ATOM 0 HG SER A 50 -14.086 4.922 -11.735 1.00 3.11 H new ATOM 822 N SER A 51 -9.659 5.969 -10.603 1.00 1.98 N ATOM 823 CA SER A 51 -8.219 6.250 -10.550 1.00 2.09 C ATOM 824 C SER A 51 -7.457 5.544 -9.416 1.00 1.74 C ATOM 825 O SER A 51 -6.242 5.710 -9.343 1.00 1.93 O ATOM 826 CB SER A 51 -7.993 7.768 -10.472 1.00 2.78 C ATOM 827 OG SER A 51 -8.605 8.438 -11.564 1.00 3.84 O ATOM 0 H SER A 51 -10.243 6.764 -10.344 1.00 1.98 H new ATOM 0 HA SER A 51 -7.805 5.837 -11.470 1.00 2.09 H new ATOM 0 HB2 SER A 51 -8.398 8.150 -9.535 1.00 2.78 H new ATOM 0 HB3 SER A 51 -6.924 7.979 -10.467 1.00 2.78 H new ATOM 0 HG SER A 51 -8.446 9.402 -11.487 1.00 3.84 H new ATOM 833 N ILE A 52 -8.108 4.750 -8.554 1.00 1.57 N ATOM 834 CA ILE A 52 -7.379 3.782 -7.706 1.00 1.41 C ATOM 835 C ILE A 52 -7.128 2.435 -8.392 1.00 1.08 C ATOM 836 O ILE A 52 -6.215 1.711 -7.992 1.00 1.05 O ATOM 837 CB ILE A 52 -8.092 3.538 -6.359 1.00 1.61 C ATOM 838 CG1 ILE A 52 -9.406 2.728 -6.467 1.00 2.04 C ATOM 839 CG2 ILE A 52 -8.313 4.867 -5.619 1.00 2.10 C ATOM 840 CD1 ILE A 52 -9.253 1.270 -6.007 1.00 1.89 C ATOM 0 H ILE A 52 -9.119 4.754 -8.423 1.00 1.57 H new ATOM 0 HA ILE A 52 -6.411 4.250 -7.525 1.00 1.41 H new ATOM 0 HB ILE A 52 -7.421 2.907 -5.776 1.00 1.61 H new ATOM 0 HG12 ILE A 52 -10.176 3.213 -5.867 1.00 2.04 H new ATOM 0 HG13 ILE A 52 -9.751 2.743 -7.501 1.00 2.04 H new ATOM 0 HG21 ILE A 52 -8.817 4.676 -4.671 1.00 2.10 H new ATOM 0 HG22 ILE A 52 -7.351 5.342 -5.429 1.00 2.10 H new ATOM 0 HG23 ILE A 52 -8.929 5.526 -6.231 1.00 2.10 H new ATOM 0 HD11 ILE A 52 -10.208 0.755 -6.107 1.00 1.89 H new ATOM 0 HD12 ILE A 52 -8.505 0.771 -6.623 1.00 1.89 H new ATOM 0 HD13 ILE A 52 -8.937 1.249 -4.964 1.00 1.89 H new ATOM 852 N ASP A 53 -7.962 2.072 -9.362 1.00 1.05 N ATOM 853 CA ASP A 53 -7.991 0.739 -9.950 1.00 1.01 C ATOM 854 C ASP A 53 -6.863 0.556 -10.960 1.00 1.08 C ATOM 855 O ASP A 53 -6.251 -0.508 -10.966 1.00 1.25 O ATOM 856 CB ASP A 53 -9.367 0.481 -10.580 1.00 1.36 C ATOM 857 CG ASP A 53 -9.446 -0.931 -11.162 1.00 2.15 C ATOM 858 OD1 ASP A 53 -9.306 -1.923 -10.403 1.00 3.22 O ATOM 859 OD2 ASP A 53 -9.616 -1.066 -12.396 1.00 2.94 O ATOM 0 H ASP A 53 -8.648 2.708 -9.768 1.00 1.05 H new ATOM 0 HA ASP A 53 -7.830 0.002 -9.163 1.00 1.01 H new ATOM 0 HB2 ASP A 53 -10.146 0.613 -9.829 1.00 1.36 H new ATOM 0 HB3 ASP A 53 -9.555 1.213 -11.365 1.00 1.36 H new ATOM 864 N ASP A 54 -6.501 1.591 -11.729 1.00 1.25 N ATOM 865 CA ASP A 54 -5.312 1.504 -12.590 1.00 1.50 C ATOM 866 C ASP A 54 -4.002 1.469 -11.785 1.00 1.18 C ATOM 867 O ASP A 54 -2.995 0.957 -12.267 1.00 1.23 O ATOM 868 CB ASP A 54 -5.268 2.588 -13.674 1.00 2.07 C ATOM 869 CG ASP A 54 -4.355 2.171 -14.855 1.00 2.64 C ATOM 870 OD1 ASP A 54 -4.330 0.972 -15.233 1.00 3.74 O ATOM 871 OD2 ASP A 54 -3.632 3.033 -15.398 1.00 2.66 O ATOM 0 H ASP A 54 -7.000 2.479 -11.774 1.00 1.25 H new ATOM 0 HA ASP A 54 -5.404 0.549 -13.107 1.00 1.50 H new ATOM 0 HB2 ASP A 54 -6.276 2.778 -14.041 1.00 2.07 H new ATOM 0 HB3 ASP A 54 -4.905 3.521 -13.243 1.00 2.07 H new ATOM 876 N LEU A 55 -4.025 1.922 -10.524 1.00 1.01 N ATOM 877 CA LEU A 55 -2.921 1.701 -9.582 1.00 0.89 C ATOM 878 C LEU A 55 -2.873 0.209 -9.247 1.00 0.91 C ATOM 879 O LEU A 55 -1.834 -0.423 -9.390 1.00 1.04 O ATOM 880 CB LEU A 55 -3.050 2.542 -8.296 1.00 0.81 C ATOM 881 CG LEU A 55 -3.530 3.988 -8.476 1.00 1.07 C ATOM 882 CD1 LEU A 55 -3.558 4.679 -7.103 1.00 1.19 C ATOM 883 CD2 LEU A 55 -2.705 4.773 -9.507 1.00 1.29 C ATOM 0 H LEU A 55 -4.805 2.449 -10.131 1.00 1.01 H new ATOM 0 HA LEU A 55 -1.994 2.023 -10.056 1.00 0.89 H new ATOM 0 HB2 LEU A 55 -3.740 2.034 -7.622 1.00 0.81 H new ATOM 0 HB3 LEU A 55 -2.079 2.563 -7.802 1.00 0.81 H new ATOM 0 HG LEU A 55 -4.539 3.966 -8.888 1.00 1.07 H new ATOM 0 HD11 LEU A 55 -3.898 5.708 -7.220 1.00 1.19 H new ATOM 0 HD12 LEU A 55 -4.239 4.145 -6.441 1.00 1.19 H new ATOM 0 HD13 LEU A 55 -2.556 4.675 -6.673 1.00 1.19 H new ATOM 0 HD21 LEU A 55 -3.094 5.788 -9.588 1.00 1.29 H new ATOM 0 HD22 LEU A 55 -1.663 4.809 -9.188 1.00 1.29 H new ATOM 0 HD23 LEU A 55 -2.771 4.280 -10.477 1.00 1.29 H new ATOM 895 N MET A 56 -4.003 -0.388 -8.854 1.00 0.90 N ATOM 896 CA MET A 56 -4.081 -1.833 -8.594 1.00 1.08 C ATOM 897 C MET A 56 -3.717 -2.655 -9.844 1.00 1.25 C ATOM 898 O MET A 56 -3.106 -3.722 -9.720 1.00 1.49 O ATOM 899 CB MET A 56 -5.462 -2.210 -8.033 1.00 1.19 C ATOM 900 CG MET A 56 -5.879 -1.355 -6.827 1.00 1.18 C ATOM 901 SD MET A 56 -6.767 -2.258 -5.529 1.00 2.22 S ATOM 902 CE MET A 56 -5.435 -2.464 -4.326 1.00 1.77 C ATOM 0 H MET A 56 -4.882 0.109 -8.708 1.00 0.90 H new ATOM 0 HA MET A 56 -3.340 -2.081 -7.834 1.00 1.08 H new ATOM 0 HB2 MET A 56 -6.208 -2.104 -8.821 1.00 1.19 H new ATOM 0 HB3 MET A 56 -5.454 -3.260 -7.740 1.00 1.19 H new ATOM 0 HG2 MET A 56 -4.987 -0.905 -6.392 1.00 1.18 H new ATOM 0 HG3 MET A 56 -6.509 -0.538 -7.179 1.00 1.18 H new ATOM 0 HE1 MET A 56 -5.603 -3.374 -3.749 1.00 1.77 H new ATOM 0 HE2 MET A 56 -4.481 -2.536 -4.848 1.00 1.77 H new ATOM 0 HE3 MET A 56 -5.416 -1.606 -3.653 1.00 1.77 H new ATOM 912 N LYS A 57 -4.001 -2.144 -11.047 1.00 1.24 N ATOM 913 CA LYS A 57 -3.494 -2.714 -12.295 1.00 1.50 C ATOM 914 C LYS A 57 -2.004 -2.452 -12.470 1.00 1.68 C ATOM 915 O LYS A 57 -1.324 -3.325 -12.968 1.00 2.07 O ATOM 916 CB LYS A 57 -4.268 -2.255 -13.540 1.00 1.66 C ATOM 917 CG LYS A 57 -5.481 -3.137 -13.852 1.00 2.06 C ATOM 918 CD LYS A 57 -6.631 -2.923 -12.870 1.00 3.06 C ATOM 919 CE LYS A 57 -7.700 -3.991 -13.118 1.00 3.85 C ATOM 920 NZ LYS A 57 -8.973 -3.646 -12.450 1.00 4.82 N ATOM 0 H LYS A 57 -4.590 -1.322 -11.180 1.00 1.24 H new ATOM 0 HA LYS A 57 -3.654 -3.788 -12.205 1.00 1.50 H new ATOM 0 HB2 LYS A 57 -4.601 -1.227 -13.395 1.00 1.66 H new ATOM 0 HB3 LYS A 57 -3.596 -2.254 -14.398 1.00 1.66 H new ATOM 0 HG2 LYS A 57 -5.828 -2.926 -14.864 1.00 2.06 H new ATOM 0 HG3 LYS A 57 -5.179 -4.184 -13.830 1.00 2.06 H new ATOM 0 HD2 LYS A 57 -6.267 -2.985 -11.844 1.00 3.06 H new ATOM 0 HD3 LYS A 57 -7.056 -1.927 -12.998 1.00 3.06 H new ATOM 0 HE2 LYS A 57 -7.867 -4.098 -14.190 1.00 3.85 H new ATOM 0 HE3 LYS A 57 -7.345 -4.955 -12.753 1.00 3.85 H new ATOM 0 HZ1 LYS A 57 -9.625 -4.454 -12.507 1.00 4.82 H new ATOM 0 HZ2 LYS A 57 -8.791 -3.418 -11.452 1.00 4.82 H new ATOM 0 HZ3 LYS A 57 -9.400 -2.823 -12.920 1.00 4.82 H new ATOM 934 N SER A 58 -1.431 -1.344 -12.033 1.00 1.51 N ATOM 935 CA SER A 58 0.040 -1.167 -11.951 1.00 1.82 C ATOM 936 C SER A 58 0.763 -2.191 -11.052 1.00 1.94 C ATOM 937 O SER A 58 1.997 -2.217 -11.013 1.00 2.38 O ATOM 938 CB SER A 58 0.414 0.279 -11.595 1.00 1.86 C ATOM 939 OG SER A 58 0.045 1.140 -12.661 1.00 1.70 O ATOM 0 H SER A 58 -1.959 -0.529 -11.720 1.00 1.51 H new ATOM 0 HA SER A 58 0.409 -1.377 -12.955 1.00 1.82 H new ATOM 0 HB2 SER A 58 -0.092 0.581 -10.678 1.00 1.86 H new ATOM 0 HB3 SER A 58 1.485 0.353 -11.408 1.00 1.86 H new ATOM 0 HG SER A 58 -0.931 1.224 -12.691 1.00 1.70 H new ATOM 945 N LEU A 59 0.023 -3.082 -10.379 1.00 1.75 N ATOM 946 CA LEU A 59 0.585 -4.281 -9.786 1.00 1.85 C ATOM 947 C LEU A 59 0.411 -5.438 -10.784 1.00 1.74 C ATOM 948 O LEU A 59 1.383 -6.084 -11.155 1.00 1.76 O ATOM 949 CB LEU A 59 -0.072 -4.509 -8.406 1.00 1.84 C ATOM 950 CG LEU A 59 0.009 -3.286 -7.453 1.00 1.81 C ATOM 951 CD1 LEU A 59 -0.701 -3.586 -6.128 1.00 1.85 C ATOM 952 CD2 LEU A 59 1.459 -2.880 -7.151 1.00 2.09 C ATOM 0 H LEU A 59 -0.982 -2.983 -10.236 1.00 1.75 H new ATOM 0 HA LEU A 59 1.655 -4.196 -9.596 1.00 1.85 H new ATOM 0 HB2 LEU A 59 -1.120 -4.772 -8.554 1.00 1.84 H new ATOM 0 HB3 LEU A 59 0.406 -5.363 -7.925 1.00 1.84 H new ATOM 0 HG LEU A 59 -0.483 -2.460 -7.967 1.00 1.81 H new ATOM 0 HD11 LEU A 59 -0.633 -2.717 -5.474 1.00 1.85 H new ATOM 0 HD12 LEU A 59 -1.749 -3.814 -6.320 1.00 1.85 H new ATOM 0 HD13 LEU A 59 -0.226 -4.441 -5.646 1.00 1.85 H new ATOM 0 HD21 LEU A 59 1.464 -2.020 -6.481 1.00 2.09 H new ATOM 0 HD22 LEU A 59 1.979 -3.713 -6.677 1.00 2.09 H new ATOM 0 HD23 LEU A 59 1.965 -2.618 -8.080 1.00 2.09 H new ATOM 964 N ASP A 60 -0.800 -5.651 -11.290 1.00 1.66 N ATOM 965 CA ASP A 60 -1.144 -6.645 -12.321 1.00 1.58 C ATOM 966 C ASP A 60 -0.276 -6.599 -13.599 1.00 1.61 C ATOM 967 O ASP A 60 0.289 -7.622 -13.985 1.00 1.94 O ATOM 968 CB ASP A 60 -2.602 -6.433 -12.744 1.00 1.46 C ATOM 969 CG ASP A 60 -3.661 -6.692 -11.677 1.00 2.16 C ATOM 970 OD1 ASP A 60 -3.479 -7.552 -10.787 1.00 3.07 O ATOM 971 OD2 ASP A 60 -4.684 -5.966 -11.703 1.00 3.11 O ATOM 0 H ASP A 60 -1.611 -5.114 -10.983 1.00 1.66 H new ATOM 0 HA ASP A 60 -0.964 -7.615 -11.857 1.00 1.58 H new ATOM 0 HB2 ASP A 60 -2.711 -5.406 -13.092 1.00 1.46 H new ATOM 0 HB3 ASP A 60 -2.809 -7.081 -13.595 1.00 1.46 H new ATOM 976 N LYS A 61 -0.172 -5.428 -14.255 1.00 1.52 N ATOM 977 CA LYS A 61 0.389 -5.234 -15.609 1.00 1.60 C ATOM 978 C LYS A 61 1.848 -5.728 -15.759 1.00 1.42 C ATOM 979 O LYS A 61 2.275 -6.020 -16.872 1.00 1.57 O ATOM 980 CB LYS A 61 0.089 -3.848 -16.203 1.00 1.91 C ATOM 981 CG LYS A 61 0.605 -2.587 -15.500 1.00 2.22 C ATOM 982 CD LYS A 61 -0.524 -1.542 -15.424 1.00 3.02 C ATOM 983 CE LYS A 61 -1.109 -1.039 -16.742 1.00 2.80 C ATOM 984 NZ LYS A 61 -2.075 0.091 -16.514 1.00 4.17 N ATOM 0 H LYS A 61 -0.490 -4.552 -13.839 1.00 1.52 H new ATOM 0 HA LYS A 61 -0.164 -5.912 -16.259 1.00 1.60 H new ATOM 0 HB2 LYS A 61 0.484 -3.838 -17.219 1.00 1.91 H new ATOM 0 HB3 LYS A 61 -0.994 -3.756 -16.281 1.00 1.91 H new ATOM 0 HG2 LYS A 61 0.954 -2.834 -14.497 1.00 2.22 H new ATOM 0 HG3 LYS A 61 1.457 -2.178 -16.043 1.00 2.22 H new ATOM 0 HD2 LYS A 61 -1.337 -1.967 -14.836 1.00 3.02 H new ATOM 0 HD3 LYS A 61 -0.148 -0.680 -14.872 1.00 3.02 H new ATOM 0 HE2 LYS A 61 -0.304 -0.706 -17.396 1.00 2.80 H new ATOM 0 HE3 LYS A 61 -1.617 -1.857 -17.253 1.00 2.80 H new ATOM 0 HZ1 LYS A 61 -2.532 0.344 -17.413 1.00 4.17 H new ATOM 0 HZ2 LYS A 61 -2.799 -0.204 -15.829 1.00 4.17 H new ATOM 0 HZ3 LYS A 61 -1.563 0.916 -16.142 1.00 4.17 H new ATOM 998 N ASN A 62 2.557 -5.875 -14.627 1.00 1.35 N ATOM 999 CA ASN A 62 3.850 -6.554 -14.480 1.00 1.50 C ATOM 1000 C ASN A 62 3.945 -7.350 -13.152 1.00 1.62 C ATOM 1001 O ASN A 62 4.918 -7.241 -12.406 1.00 2.76 O ATOM 1002 CB ASN A 62 4.996 -5.533 -14.643 1.00 1.58 C ATOM 1003 CG ASN A 62 5.174 -5.110 -16.095 1.00 1.82 C ATOM 1004 OD1 ASN A 62 4.796 -4.013 -16.490 1.00 2.20 O ATOM 1005 ND2 ASN A 62 5.719 -5.987 -16.920 1.00 2.61 N ATOM 0 H ASN A 62 2.221 -5.500 -13.740 1.00 1.35 H new ATOM 0 HA ASN A 62 3.944 -7.298 -15.271 1.00 1.50 H new ATOM 0 HB2 ASN A 62 4.790 -4.655 -14.031 1.00 1.58 H new ATOM 0 HB3 ASN A 62 5.925 -5.968 -14.274 1.00 1.58 H new ATOM 0 HD21 ASN A 62 5.832 -5.757 -17.907 1.00 2.61 H new ATOM 0 HD22 ASN A 62 6.027 -6.894 -16.569 1.00 2.61 H new ATOM 1012 N SER A 63 2.944 -8.174 -12.814 1.00 1.37 N ATOM 1013 CA SER A 63 2.955 -9.040 -11.608 1.00 1.41 C ATOM 1014 C SER A 63 3.974 -10.196 -11.625 1.00 1.38 C ATOM 1015 O SER A 63 3.968 -11.031 -10.723 1.00 1.96 O ATOM 1016 CB SER A 63 1.541 -9.542 -11.265 1.00 1.97 C ATOM 1017 OG SER A 63 0.869 -8.571 -10.486 1.00 3.01 O ATOM 0 H SER A 63 2.093 -8.265 -13.369 1.00 1.37 H new ATOM 0 HA SER A 63 3.307 -8.385 -10.811 1.00 1.41 H new ATOM 0 HB2 SER A 63 0.982 -9.739 -12.180 1.00 1.97 H new ATOM 0 HB3 SER A 63 1.601 -10.483 -10.719 1.00 1.97 H new ATOM 0 HG SER A 63 1.243 -7.685 -10.674 1.00 3.01 H new ATOM 1023 N ASP A 64 4.883 -10.211 -12.601 1.00 1.16 N ATOM 1024 CA ASP A 64 6.064 -11.068 -12.667 1.00 1.52 C ATOM 1025 C ASP A 64 7.225 -10.455 -11.873 1.00 1.13 C ATOM 1026 O ASP A 64 8.171 -11.135 -11.488 1.00 1.42 O ATOM 1027 CB ASP A 64 6.445 -11.198 -14.155 1.00 2.38 C ATOM 1028 CG ASP A 64 6.823 -9.850 -14.796 1.00 4.54 C ATOM 1029 OD1 ASP A 64 5.938 -8.967 -14.915 1.00 5.11 O ATOM 1030 OD2 ASP A 64 8.016 -9.671 -15.125 1.00 6.15 O ATOM 0 H ASP A 64 4.810 -9.592 -13.409 1.00 1.16 H new ATOM 0 HA ASP A 64 5.853 -12.044 -12.231 1.00 1.52 H new ATOM 0 HB2 ASP A 64 7.283 -11.888 -14.251 1.00 2.38 H new ATOM 0 HB3 ASP A 64 5.609 -11.633 -14.702 1.00 2.38 H new ATOM 1035 N GLN A 65 7.133 -9.145 -11.631 1.00 1.00 N ATOM 1036 CA GLN A 65 8.140 -8.322 -10.999 1.00 0.98 C ATOM 1037 C GLN A 65 7.915 -8.205 -9.494 1.00 0.85 C ATOM 1038 O GLN A 65 6.794 -8.330 -8.992 1.00 0.83 O ATOM 1039 CB GLN A 65 8.068 -6.927 -11.623 1.00 1.15 C ATOM 1040 CG GLN A 65 8.495 -6.860 -13.097 1.00 1.52 C ATOM 1041 CD GLN A 65 9.936 -7.324 -13.302 1.00 2.68 C ATOM 1042 OE1 GLN A 65 10.849 -6.867 -12.632 1.00 4.03 O ATOM 1043 NE2 GLN A 65 10.206 -8.256 -14.186 1.00 3.47 N ATOM 0 H GLN A 65 6.304 -8.611 -11.889 1.00 1.00 H new ATOM 0 HA GLN A 65 9.116 -8.781 -11.154 1.00 0.98 H new ATOM 0 HB2 GLN A 65 7.046 -6.558 -11.538 1.00 1.15 H new ATOM 0 HB3 GLN A 65 8.699 -6.252 -11.045 1.00 1.15 H new ATOM 0 HG2 GLN A 65 7.827 -7.479 -13.696 1.00 1.52 H new ATOM 0 HG3 GLN A 65 8.390 -5.837 -13.458 1.00 1.52 H new ATOM 0 HE21 GLN A 65 9.458 -8.651 -14.756 1.00 3.47 H new ATOM 0 HE22 GLN A 65 11.164 -8.585 -14.303 1.00 3.47 H new ATOM 1052 N GLU A 66 8.989 -7.873 -8.779 1.00 0.97 N ATOM 1053 CA GLU A 66 8.971 -7.641 -7.341 1.00 0.94 C ATOM 1054 C GLU A 66 8.765 -6.155 -6.992 1.00 1.05 C ATOM 1055 O GLU A 66 9.077 -5.265 -7.782 1.00 1.20 O ATOM 1056 CB GLU A 66 10.267 -8.192 -6.723 1.00 0.95 C ATOM 1057 CG GLU A 66 10.260 -9.728 -6.574 1.00 1.05 C ATOM 1058 CD GLU A 66 11.549 -10.293 -5.955 1.00 1.35 C ATOM 1059 OE1 GLU A 66 12.301 -9.502 -5.333 1.00 2.19 O ATOM 1060 OE2 GLU A 66 11.785 -11.510 -6.105 1.00 2.16 O ATOM 0 H GLU A 66 9.913 -7.756 -9.194 1.00 0.97 H new ATOM 0 HA GLU A 66 8.118 -8.170 -6.917 1.00 0.94 H new ATOM 0 HB2 GLU A 66 11.113 -7.897 -7.344 1.00 0.95 H new ATOM 0 HB3 GLU A 66 10.417 -7.738 -5.743 1.00 0.95 H new ATOM 0 HG2 GLU A 66 9.411 -10.021 -5.956 1.00 1.05 H new ATOM 0 HG3 GLU A 66 10.110 -10.179 -7.555 1.00 1.05 H new ATOM 1067 N ILE A 67 8.212 -5.879 -5.807 1.00 1.05 N ATOM 1068 CA ILE A 67 8.123 -4.549 -5.179 1.00 1.13 C ATOM 1069 C ILE A 67 8.760 -4.547 -3.801 1.00 1.05 C ATOM 1070 O ILE A 67 8.616 -5.514 -3.054 1.00 1.04 O ATOM 1071 CB ILE A 67 6.672 -4.030 -4.996 1.00 1.26 C ATOM 1072 CG1 ILE A 67 5.598 -5.132 -4.847 1.00 1.92 C ATOM 1073 CG2 ILE A 67 6.323 -3.055 -6.116 1.00 1.63 C ATOM 1074 CD1 ILE A 67 4.175 -4.612 -5.040 1.00 1.99 C ATOM 0 H ILE A 67 7.794 -6.608 -5.229 1.00 1.05 H new ATOM 0 HA ILE A 67 8.649 -3.893 -5.872 1.00 1.13 H new ATOM 0 HB ILE A 67 6.657 -3.512 -4.037 1.00 1.26 H new ATOM 0 HG12 ILE A 67 5.792 -5.921 -5.574 1.00 1.92 H new ATOM 0 HG13 ILE A 67 5.683 -5.582 -3.858 1.00 1.92 H new ATOM 0 HG21 ILE A 67 5.303 -2.695 -5.981 1.00 1.63 H new ATOM 0 HG22 ILE A 67 7.012 -2.211 -6.091 1.00 1.63 H new ATOM 0 HG23 ILE A 67 6.404 -3.561 -7.078 1.00 1.63 H new ATOM 0 HD11 ILE A 67 3.468 -5.434 -4.923 1.00 1.99 H new ATOM 0 HD12 ILE A 67 3.964 -3.844 -4.296 1.00 1.99 H new ATOM 0 HD13 ILE A 67 4.075 -4.187 -6.039 1.00 1.99 H new ATOM 1086 N ASP A 68 9.376 -3.419 -3.457 1.00 1.07 N ATOM 1087 CA ASP A 68 9.970 -3.135 -2.156 1.00 1.00 C ATOM 1088 C ASP A 68 9.079 -2.243 -1.262 1.00 0.96 C ATOM 1089 O ASP A 68 7.995 -1.788 -1.642 1.00 1.29 O ATOM 1090 CB ASP A 68 11.346 -2.482 -2.391 1.00 1.07 C ATOM 1091 CG ASP A 68 11.245 -0.968 -2.603 1.00 1.25 C ATOM 1092 OD1 ASP A 68 10.440 -0.525 -3.456 1.00 2.62 O ATOM 1093 OD2 ASP A 68 11.875 -0.233 -1.810 1.00 1.73 O ATOM 0 H ASP A 68 9.479 -2.642 -4.110 1.00 1.07 H new ATOM 0 HA ASP A 68 10.076 -4.074 -1.613 1.00 1.00 H new ATOM 0 HB2 ASP A 68 11.992 -2.684 -1.537 1.00 1.07 H new ATOM 0 HB3 ASP A 68 11.817 -2.938 -3.262 1.00 1.07 H new ATOM 1098 N PHE A 69 9.594 -1.921 -0.074 1.00 0.77 N ATOM 1099 CA PHE A 69 8.943 -1.041 0.895 1.00 0.79 C ATOM 1100 C PHE A 69 8.728 0.404 0.388 1.00 0.74 C ATOM 1101 O PHE A 69 7.781 1.067 0.814 1.00 0.75 O ATOM 1102 CB PHE A 69 9.748 -1.080 2.205 1.00 0.86 C ATOM 1103 CG PHE A 69 8.916 -0.830 3.448 1.00 1.29 C ATOM 1104 CD1 PHE A 69 7.947 -1.777 3.833 1.00 2.11 C ATOM 1105 CD2 PHE A 69 9.118 0.317 4.241 1.00 2.77 C ATOM 1106 CE1 PHE A 69 7.174 -1.569 4.988 1.00 2.83 C ATOM 1107 CE2 PHE A 69 8.343 0.529 5.393 1.00 3.39 C ATOM 1108 CZ PHE A 69 7.370 -0.415 5.766 1.00 3.00 C ATOM 0 H PHE A 69 10.496 -2.273 0.247 1.00 0.77 H new ATOM 0 HA PHE A 69 7.933 -1.415 1.064 1.00 0.79 H new ATOM 0 HB2 PHE A 69 10.231 -2.053 2.294 1.00 0.86 H new ATOM 0 HB3 PHE A 69 10.541 -0.334 2.155 1.00 0.86 H new ATOM 0 HD1 PHE A 69 7.798 -2.666 3.238 1.00 2.11 H new ATOM 0 HD2 PHE A 69 9.873 1.037 3.962 1.00 2.77 H new ATOM 0 HE1 PHE A 69 6.429 -2.296 5.278 1.00 2.83 H new ATOM 0 HE2 PHE A 69 8.494 1.415 5.991 1.00 3.39 H new ATOM 0 HZ PHE A 69 6.773 -0.253 6.651 1.00 3.00 H new ATOM 1118 N LYS A 70 9.545 0.909 -0.548 1.00 0.74 N ATOM 1119 CA LYS A 70 9.361 2.207 -1.211 1.00 0.67 C ATOM 1120 C LYS A 70 8.169 2.176 -2.165 1.00 0.61 C ATOM 1121 O LYS A 70 7.288 3.038 -2.051 1.00 0.60 O ATOM 1122 CB LYS A 70 10.630 2.536 -1.989 1.00 0.74 C ATOM 1123 CG LYS A 70 10.615 3.883 -2.690 1.00 1.41 C ATOM 1124 CD LYS A 70 11.732 3.826 -3.737 1.00 1.88 C ATOM 1125 CE LYS A 70 11.879 5.184 -4.390 1.00 3.53 C ATOM 1126 NZ LYS A 70 10.694 5.536 -5.212 1.00 5.52 N ATOM 0 H LYS A 70 10.374 0.412 -0.873 1.00 0.74 H new ATOM 0 HA LYS A 70 9.165 2.968 -0.455 1.00 0.67 H new ATOM 0 HB2 LYS A 70 11.477 2.508 -1.304 1.00 0.74 H new ATOM 0 HB3 LYS A 70 10.796 1.757 -2.733 1.00 0.74 H new ATOM 0 HG2 LYS A 70 9.649 4.068 -3.160 1.00 1.41 H new ATOM 0 HG3 LYS A 70 10.785 4.694 -1.981 1.00 1.41 H new ATOM 0 HD2 LYS A 70 12.671 3.532 -3.268 1.00 1.88 H new ATOM 0 HD3 LYS A 70 11.502 3.071 -4.489 1.00 1.88 H new ATOM 0 HE2 LYS A 70 12.025 5.942 -3.621 1.00 3.53 H new ATOM 0 HE3 LYS A 70 12.770 5.190 -5.017 1.00 3.53 H new ATOM 0 HZ1 LYS A 70 10.883 6.415 -5.735 1.00 5.52 H new ATOM 0 HZ2 LYS A 70 10.498 4.768 -5.885 1.00 5.52 H new ATOM 0 HZ3 LYS A 70 9.870 5.672 -4.593 1.00 5.52 H new ATOM 1140 N GLU A 71 8.144 1.207 -3.077 1.00 0.66 N ATOM 1141 CA GLU A 71 7.032 0.999 -4.002 1.00 0.66 C ATOM 1142 C GLU A 71 5.717 0.793 -3.219 1.00 0.59 C ATOM 1143 O GLU A 71 4.661 1.266 -3.629 1.00 0.68 O ATOM 1144 CB GLU A 71 7.319 -0.200 -4.910 1.00 0.83 C ATOM 1145 CG GLU A 71 8.531 -0.050 -5.850 1.00 1.02 C ATOM 1146 CD GLU A 71 8.127 0.268 -7.292 1.00 1.45 C ATOM 1147 OE1 GLU A 71 7.816 1.450 -7.544 1.00 2.15 O ATOM 1148 OE2 GLU A 71 8.125 -0.662 -8.140 1.00 2.35 O ATOM 0 H GLU A 71 8.903 0.537 -3.196 1.00 0.66 H new ATOM 0 HA GLU A 71 6.921 1.885 -4.628 1.00 0.66 H new ATOM 0 HB2 GLU A 71 7.475 -1.078 -4.283 1.00 0.83 H new ATOM 0 HB3 GLU A 71 6.434 -0.394 -5.516 1.00 0.83 H new ATOM 0 HG2 GLU A 71 9.179 0.742 -5.476 1.00 1.02 H new ATOM 0 HG3 GLU A 71 9.113 -0.972 -5.835 1.00 1.02 H new ATOM 1155 N TYR A 72 5.797 0.186 -2.030 1.00 0.57 N ATOM 1156 CA TYR A 72 4.649 -0.005 -1.128 1.00 0.50 C ATOM 1157 C TYR A 72 4.201 1.304 -0.459 1.00 0.47 C ATOM 1158 O TYR A 72 3.029 1.670 -0.506 1.00 0.44 O ATOM 1159 CB TYR A 72 5.018 -1.066 -0.083 1.00 0.61 C ATOM 1160 CG TYR A 72 4.064 -1.283 1.084 1.00 0.60 C ATOM 1161 CD1 TYR A 72 2.665 -1.249 0.928 1.00 1.78 C ATOM 1162 CD2 TYR A 72 4.602 -1.603 2.345 1.00 1.51 C ATOM 1163 CE1 TYR A 72 1.816 -1.621 1.989 1.00 1.97 C ATOM 1164 CE2 TYR A 72 3.763 -1.942 3.418 1.00 1.42 C ATOM 1165 CZ TYR A 72 2.366 -1.979 3.241 1.00 0.90 C ATOM 1166 OH TYR A 72 1.564 -2.354 4.273 1.00 1.14 O ATOM 0 H TYR A 72 6.669 -0.192 -1.660 1.00 0.57 H new ATOM 0 HA TYR A 72 3.797 -0.344 -1.717 1.00 0.50 H new ATOM 0 HB2 TYR A 72 5.134 -2.018 -0.601 1.00 0.61 H new ATOM 0 HB3 TYR A 72 5.994 -0.805 0.327 1.00 0.61 H new ATOM 0 HD1 TYR A 72 2.239 -0.935 -0.013 1.00 1.78 H new ATOM 0 HD2 TYR A 72 5.672 -1.587 2.488 1.00 1.51 H new ATOM 0 HE1 TYR A 72 0.746 -1.633 1.846 1.00 1.97 H new ATOM 0 HE2 TYR A 72 4.190 -2.175 4.382 1.00 1.42 H new ATOM 0 HH TYR A 72 2.104 -2.786 4.967 1.00 1.14 H new ATOM 1176 N SER A 73 5.126 2.048 0.148 1.00 0.52 N ATOM 1177 CA SER A 73 4.841 3.330 0.809 1.00 0.54 C ATOM 1178 C SER A 73 4.385 4.419 -0.169 1.00 0.50 C ATOM 1179 O SER A 73 3.462 5.163 0.180 1.00 0.54 O ATOM 1180 CB SER A 73 6.051 3.794 1.626 1.00 0.62 C ATOM 1181 OG SER A 73 7.225 3.745 0.846 1.00 1.13 O ATOM 0 H SER A 73 6.108 1.777 0.197 1.00 0.52 H new ATOM 0 HA SER A 73 4.004 3.158 1.485 1.00 0.54 H new ATOM 0 HB2 SER A 73 5.887 4.811 1.983 1.00 0.62 H new ATOM 0 HB3 SER A 73 6.166 3.162 2.506 1.00 0.62 H new ATOM 0 HG SER A 73 7.596 2.838 0.870 1.00 1.13 H new ATOM 1187 N VAL A 74 4.917 4.480 -1.401 1.00 0.50 N ATOM 1188 CA VAL A 74 4.370 5.358 -2.449 1.00 0.57 C ATOM 1189 C VAL A 74 3.019 4.866 -2.959 1.00 0.61 C ATOM 1190 O VAL A 74 2.172 5.715 -3.196 1.00 0.67 O ATOM 1191 CB VAL A 74 5.295 5.625 -3.654 1.00 0.65 C ATOM 1192 CG1 VAL A 74 6.629 6.242 -3.219 1.00 0.67 C ATOM 1193 CG2 VAL A 74 5.525 4.433 -4.586 1.00 0.71 C ATOM 0 H VAL A 74 5.725 3.932 -1.696 1.00 0.50 H new ATOM 0 HA VAL A 74 4.261 6.312 -1.932 1.00 0.57 H new ATOM 0 HB VAL A 74 4.742 6.348 -4.254 1.00 0.65 H new ATOM 0 HG11 VAL A 74 7.253 6.415 -4.096 1.00 0.67 H new ATOM 0 HG12 VAL A 74 6.444 7.189 -2.713 1.00 0.67 H new ATOM 0 HG13 VAL A 74 7.140 5.561 -2.539 1.00 0.67 H new ATOM 0 HG21 VAL A 74 6.189 4.729 -5.398 1.00 0.71 H new ATOM 0 HG22 VAL A 74 5.979 3.616 -4.026 1.00 0.71 H new ATOM 0 HG23 VAL A 74 4.571 4.104 -4.998 1.00 0.71 H new ATOM 1203 N PHE A 75 2.765 3.553 -3.073 1.00 0.61 N ATOM 1204 CA PHE A 75 1.443 3.048 -3.459 1.00 0.64 C ATOM 1205 C PHE A 75 0.390 3.408 -2.418 1.00 0.53 C ATOM 1206 O PHE A 75 -0.637 3.970 -2.778 1.00 0.57 O ATOM 1207 CB PHE A 75 1.473 1.531 -3.656 1.00 0.71 C ATOM 1208 CG PHE A 75 0.238 0.994 -4.343 1.00 0.74 C ATOM 1209 CD1 PHE A 75 0.183 1.069 -5.744 1.00 1.58 C ATOM 1210 CD2 PHE A 75 -0.835 0.413 -3.633 1.00 2.18 C ATOM 1211 CE1 PHE A 75 -0.881 0.493 -6.434 1.00 1.58 C ATOM 1212 CE2 PHE A 75 -1.907 -0.176 -4.337 1.00 2.22 C ATOM 1213 CZ PHE A 75 -1.928 -0.137 -5.746 1.00 0.84 C ATOM 0 H PHE A 75 3.458 2.825 -2.903 1.00 0.61 H new ATOM 0 HA PHE A 75 1.177 3.523 -4.404 1.00 0.64 H new ATOM 0 HB2 PHE A 75 2.352 1.265 -4.243 1.00 0.71 H new ATOM 0 HB3 PHE A 75 1.580 1.047 -2.685 1.00 0.71 H new ATOM 0 HD1 PHE A 75 0.967 1.574 -6.288 1.00 1.58 H new ATOM 0 HD2 PHE A 75 -0.836 0.419 -2.553 1.00 2.18 H new ATOM 0 HE1 PHE A 75 -0.900 0.532 -7.513 1.00 1.58 H new ATOM 0 HE2 PHE A 75 -2.710 -0.656 -3.797 1.00 2.22 H new ATOM 0 HZ PHE A 75 -2.744 -0.589 -6.291 1.00 0.84 H new ATOM 1223 N LEU A 76 0.672 3.177 -1.128 1.00 0.46 N ATOM 1224 CA LEU A 76 -0.182 3.599 -0.017 1.00 0.45 C ATOM 1225 C LEU A 76 -0.410 5.112 -0.031 1.00 0.56 C ATOM 1226 O LEU A 76 -1.549 5.544 0.082 1.00 0.66 O ATOM 1227 CB LEU A 76 0.448 3.182 1.325 1.00 0.51 C ATOM 1228 CG LEU A 76 0.410 1.678 1.657 1.00 0.62 C ATOM 1229 CD1 LEU A 76 1.225 1.468 2.945 1.00 1.09 C ATOM 1230 CD2 LEU A 76 -1.025 1.152 1.815 1.00 0.78 C ATOM 0 H LEU A 76 1.513 2.684 -0.826 1.00 0.46 H new ATOM 0 HA LEU A 76 -1.148 3.107 -0.135 1.00 0.45 H new ATOM 0 HB2 LEU A 76 1.488 3.508 1.331 1.00 0.51 H new ATOM 0 HB3 LEU A 76 -0.060 3.722 2.124 1.00 0.51 H new ATOM 0 HG LEU A 76 0.842 1.112 0.832 1.00 0.62 H new ATOM 0 HD11 LEU A 76 1.220 0.411 3.211 1.00 1.09 H new ATOM 0 HD12 LEU A 76 2.252 1.796 2.783 1.00 1.09 H new ATOM 0 HD13 LEU A 76 0.782 2.048 3.755 1.00 1.09 H new ATOM 0 HD21 LEU A 76 -0.999 0.088 2.048 1.00 0.78 H new ATOM 0 HD22 LEU A 76 -1.522 1.689 2.623 1.00 0.78 H new ATOM 0 HD23 LEU A 76 -1.573 1.306 0.886 1.00 0.78 H new ATOM 1242 N THR A 77 0.644 5.915 -0.213 1.00 0.60 N ATOM 1243 CA THR A 77 0.544 7.381 -0.132 1.00 0.64 C ATOM 1244 C THR A 77 -0.113 7.997 -1.376 1.00 0.74 C ATOM 1245 O THR A 77 -0.815 8.998 -1.272 1.00 0.96 O ATOM 1246 CB THR A 77 1.909 7.978 0.187 1.00 0.57 C ATOM 1247 OG1 THR A 77 2.420 7.355 1.344 1.00 0.63 O ATOM 1248 CG2 THR A 77 1.760 9.473 0.471 1.00 0.71 C ATOM 0 H THR A 77 1.583 5.574 -0.419 1.00 0.60 H new ATOM 0 HA THR A 77 -0.127 7.635 0.689 1.00 0.64 H new ATOM 0 HB THR A 77 2.579 7.825 -0.659 1.00 0.57 H new ATOM 0 HG1 THR A 77 2.661 6.428 1.137 1.00 0.63 H new ATOM 0 HG21 THR A 77 2.737 9.899 0.699 1.00 0.71 H new ATOM 0 HG22 THR A 77 1.343 9.970 -0.405 1.00 0.71 H new ATOM 0 HG23 THR A 77 1.094 9.617 1.322 1.00 0.71 H new ATOM 1256 N MET A 78 0.062 7.375 -2.545 1.00 0.70 N ATOM 1257 CA MET A 78 -0.659 7.651 -3.797 1.00 0.82 C ATOM 1258 C MET A 78 -2.141 7.285 -3.679 1.00 0.83 C ATOM 1259 O MET A 78 -3.011 8.065 -4.041 1.00 0.91 O ATOM 1260 CB MET A 78 0.008 6.823 -4.906 1.00 0.85 C ATOM 1261 CG MET A 78 -0.662 6.927 -6.270 1.00 1.41 C ATOM 1262 SD MET A 78 -0.025 5.715 -7.452 1.00 2.37 S ATOM 1263 CE MET A 78 1.642 6.340 -7.721 1.00 1.35 C ATOM 0 H MET A 78 0.746 6.626 -2.652 1.00 0.70 H new ATOM 0 HA MET A 78 -0.611 8.716 -4.025 1.00 0.82 H new ATOM 0 HB2 MET A 78 1.047 7.139 -5.002 1.00 0.85 H new ATOM 0 HB3 MET A 78 0.020 5.776 -4.601 1.00 0.85 H new ATOM 0 HG2 MET A 78 -1.737 6.786 -6.154 1.00 1.41 H new ATOM 0 HG3 MET A 78 -0.513 7.931 -6.668 1.00 1.41 H new ATOM 0 HE1 MET A 78 2.113 5.784 -8.531 1.00 1.35 H new ATOM 0 HE2 MET A 78 1.596 7.397 -7.985 1.00 1.35 H new ATOM 0 HE3 MET A 78 2.227 6.219 -6.810 1.00 1.35 H new ATOM 1273 N LEU A 79 -2.433 6.098 -3.154 1.00 0.83 N ATOM 1274 CA LEU A 79 -3.786 5.601 -2.935 1.00 0.95 C ATOM 1275 C LEU A 79 -4.521 6.448 -1.882 1.00 0.99 C ATOM 1276 O LEU A 79 -5.650 6.847 -2.117 1.00 1.09 O ATOM 1277 CB LEU A 79 -3.656 4.099 -2.612 1.00 1.06 C ATOM 1278 CG LEU A 79 -4.949 3.307 -2.397 1.00 0.99 C ATOM 1279 CD1 LEU A 79 -6.024 3.670 -3.433 1.00 1.60 C ATOM 1280 CD2 LEU A 79 -4.645 1.803 -2.470 1.00 1.88 C ATOM 0 H LEU A 79 -1.713 5.437 -2.861 1.00 0.83 H new ATOM 0 HA LEU A 79 -4.420 5.699 -3.817 1.00 0.95 H new ATOM 0 HB2 LEU A 79 -3.104 3.627 -3.425 1.00 1.06 H new ATOM 0 HB3 LEU A 79 -3.047 4.000 -1.713 1.00 1.06 H new ATOM 0 HG LEU A 79 -5.340 3.565 -1.413 1.00 0.99 H new ATOM 0 HD11 LEU A 79 -6.924 3.085 -3.244 1.00 1.60 H new ATOM 0 HD12 LEU A 79 -6.258 4.732 -3.357 1.00 1.60 H new ATOM 0 HD13 LEU A 79 -5.653 3.451 -4.434 1.00 1.60 H new ATOM 0 HD21 LEU A 79 -5.565 1.238 -2.317 1.00 1.88 H new ATOM 0 HD22 LEU A 79 -4.230 1.563 -3.449 1.00 1.88 H new ATOM 0 HD23 LEU A 79 -3.924 1.539 -1.696 1.00 1.88 H new ATOM 1292 N CYS A 80 -3.855 6.810 -0.782 1.00 0.94 N ATOM 1293 CA CYS A 80 -4.276 7.801 0.222 1.00 0.98 C ATOM 1294 C CYS A 80 -4.753 9.121 -0.408 1.00 1.12 C ATOM 1295 O CYS A 80 -5.856 9.579 -0.103 1.00 1.25 O ATOM 1296 CB CYS A 80 -3.065 7.992 1.157 1.00 1.15 C ATOM 1297 SG CYS A 80 -3.186 9.468 2.201 1.00 1.87 S ATOM 0 H CYS A 80 -2.952 6.396 -0.551 1.00 0.94 H new ATOM 0 HA CYS A 80 -5.146 7.448 0.776 1.00 0.98 H new ATOM 0 HB2 CYS A 80 -2.965 7.113 1.794 1.00 1.15 H new ATOM 0 HB3 CYS A 80 -2.158 8.055 0.556 1.00 1.15 H new ATOM 0 HG CYS A 80 -2.042 9.686 2.779 1.00 1.87 H new ATOM 1303 N MET A 81 -3.986 9.711 -1.331 1.00 1.17 N ATOM 1304 CA MET A 81 -4.354 10.975 -1.981 1.00 1.31 C ATOM 1305 C MET A 81 -5.489 10.835 -3.008 1.00 1.39 C ATOM 1306 O MET A 81 -5.881 11.832 -3.609 1.00 1.65 O ATOM 1307 CB MET A 81 -3.122 11.718 -2.499 1.00 1.36 C ATOM 1308 CG MET A 81 -2.473 11.154 -3.763 1.00 2.79 C ATOM 1309 SD MET A 81 -1.098 12.127 -4.428 1.00 3.48 S ATOM 1310 CE MET A 81 -1.881 13.758 -4.398 1.00 3.93 C ATOM 0 H MET A 81 -3.095 9.328 -1.648 1.00 1.17 H new ATOM 0 HA MET A 81 -4.788 11.612 -1.210 1.00 1.31 H new ATOM 0 HB2 MET A 81 -3.403 12.754 -2.691 1.00 1.36 H new ATOM 0 HB3 MET A 81 -2.373 11.733 -1.707 1.00 1.36 H new ATOM 0 HG2 MET A 81 -2.114 10.147 -3.549 1.00 2.79 H new ATOM 0 HG3 MET A 81 -3.238 11.062 -4.534 1.00 2.79 H new ATOM 0 HE1 MET A 81 -1.424 14.395 -5.155 1.00 3.93 H new ATOM 0 HE2 MET A 81 -2.946 13.654 -4.606 1.00 3.93 H new ATOM 0 HE3 MET A 81 -1.746 14.209 -3.415 1.00 3.93 H new ATOM 1320 N ALA A 82 -6.039 9.629 -3.195 1.00 1.28 N ATOM 1321 CA ALA A 82 -7.283 9.405 -3.925 1.00 1.40 C ATOM 1322 C ALA A 82 -8.557 9.612 -3.071 1.00 1.32 C ATOM 1323 O ALA A 82 -9.656 9.410 -3.586 1.00 1.58 O ATOM 1324 CB ALA A 82 -7.240 8.025 -4.589 1.00 1.50 C ATOM 0 H ALA A 82 -5.622 8.770 -2.836 1.00 1.28 H new ATOM 0 HA ALA A 82 -7.354 10.171 -4.697 1.00 1.40 H new ATOM 0 HB1 ALA A 82 -8.168 7.855 -5.135 1.00 1.50 H new ATOM 0 HB2 ALA A 82 -6.399 7.980 -5.280 1.00 1.50 H new ATOM 0 HB3 ALA A 82 -7.123 7.257 -3.825 1.00 1.50 H new ATOM 1330 N TYR A 83 -8.434 9.985 -1.785 1.00 1.08 N ATOM 1331 CA TYR A 83 -9.579 10.228 -0.885 1.00 1.14 C ATOM 1332 C TYR A 83 -9.289 11.066 0.381 1.00 1.13 C ATOM 1333 O TYR A 83 -10.197 11.759 0.837 1.00 1.63 O ATOM 1334 CB TYR A 83 -10.242 8.894 -0.485 1.00 1.30 C ATOM 1335 CG TYR A 83 -9.303 7.877 0.132 1.00 1.22 C ATOM 1336 CD1 TYR A 83 -8.617 6.978 -0.704 1.00 2.43 C ATOM 1337 CD2 TYR A 83 -9.085 7.844 1.523 1.00 1.99 C ATOM 1338 CE1 TYR A 83 -7.699 6.065 -0.163 1.00 2.63 C ATOM 1339 CE2 TYR A 83 -8.146 6.949 2.069 1.00 1.99 C ATOM 1340 CZ TYR A 83 -7.427 6.079 1.223 1.00 1.58 C ATOM 1341 OH TYR A 83 -6.445 5.295 1.747 1.00 1.98 O ATOM 0 H TYR A 83 -7.530 10.128 -1.336 1.00 1.08 H new ATOM 0 HA TYR A 83 -10.254 10.845 -1.478 1.00 1.14 H new ATOM 0 HB2 TYR A 83 -11.045 9.101 0.222 1.00 1.30 H new ATOM 0 HB3 TYR A 83 -10.702 8.453 -1.370 1.00 1.30 H new ATOM 0 HD1 TYR A 83 -8.798 6.990 -1.769 1.00 2.43 H new ATOM 0 HD2 TYR A 83 -9.639 8.506 2.172 1.00 1.99 H new ATOM 0 HE1 TYR A 83 -7.201 5.353 -0.805 1.00 2.63 H new ATOM 0 HE2 TYR A 83 -7.976 6.928 3.135 1.00 1.99 H new ATOM 0 HH TYR A 83 -6.397 5.434 2.716 1.00 1.98 H new ATOM 1351 N ASN A 84 -8.074 11.045 0.953 1.00 1.34 N ATOM 1352 CA ASN A 84 -7.763 11.822 2.160 1.00 1.41 C ATOM 1353 C ASN A 84 -7.919 13.334 1.937 1.00 1.42 C ATOM 1354 O ASN A 84 -7.207 13.935 1.131 1.00 2.20 O ATOM 1355 CB ASN A 84 -6.343 11.521 2.674 1.00 1.63 C ATOM 1356 CG ASN A 84 -6.301 10.314 3.597 1.00 2.87 C ATOM 1357 OD1 ASN A 84 -6.170 9.182 3.163 1.00 4.21 O ATOM 1358 ND2 ASN A 84 -6.392 10.508 4.904 1.00 3.47 N ATOM 0 H ASN A 84 -7.291 10.497 0.597 1.00 1.34 H new ATOM 0 HA ASN A 84 -8.488 11.513 2.913 1.00 1.41 H new ATOM 0 HB2 ASN A 84 -5.682 11.348 1.825 1.00 1.63 H new ATOM 0 HB3 ASN A 84 -5.960 12.393 3.204 1.00 1.63 H new ATOM 0 HD21 ASN A 84 -6.352 9.713 5.542 1.00 3.47 H new ATOM 0 HD22 ASN A 84 -6.502 11.453 5.273 1.00 3.47 H new ATOM 1365 N ASP A 85 -8.746 13.961 2.776 1.00 1.94 N ATOM 1366 CA ASP A 85 -8.934 15.411 2.896 1.00 2.24 C ATOM 1367 C ASP A 85 -7.693 16.140 3.428 1.00 3.24 C ATOM 1368 O ASP A 85 -7.646 17.357 3.387 1.00 3.48 O ATOM 1369 CB ASP A 85 -10.159 15.684 3.788 1.00 3.79 C ATOM 1370 CG ASP A 85 -10.019 15.086 5.193 1.00 5.79 C ATOM 1371 OD1 ASP A 85 -10.049 13.835 5.272 1.00 6.44 O ATOM 1372 OD2 ASP A 85 -9.860 15.867 6.155 1.00 7.17 O ATOM 0 H ASP A 85 -9.336 13.443 3.427 1.00 1.94 H new ATOM 0 HA ASP A 85 -9.102 15.809 1.895 1.00 2.24 H new ATOM 0 HB2 ASP A 85 -10.310 16.760 3.870 1.00 3.79 H new ATOM 0 HB3 ASP A 85 -11.049 15.273 3.311 1.00 3.79 H new ATOM 1377 N PHE A 86 -6.639 15.427 3.828 1.00 4.33 N ATOM 1378 CA PHE A 86 -5.318 16.014 4.077 1.00 6.02 C ATOM 1379 C PHE A 86 -4.678 16.576 2.787 1.00 6.29 C ATOM 1380 O PHE A 86 -3.791 17.421 2.869 1.00 7.80 O ATOM 1381 CB PHE A 86 -4.410 14.965 4.736 1.00 7.14 C ATOM 1382 CG PHE A 86 -4.854 14.512 6.121 1.00 7.75 C ATOM 1383 CD1 PHE A 86 -5.950 13.639 6.270 1.00 7.18 C ATOM 1384 CD2 PHE A 86 -4.178 14.973 7.266 1.00 9.36 C ATOM 1385 CE1 PHE A 86 -6.364 13.226 7.549 1.00 8.19 C ATOM 1386 CE2 PHE A 86 -4.587 14.554 8.548 1.00 10.31 C ATOM 1387 CZ PHE A 86 -5.679 13.679 8.689 1.00 9.71 C ATOM 0 H PHE A 86 -6.676 14.421 3.990 1.00 4.33 H new ATOM 0 HA PHE A 86 -5.441 16.860 4.753 1.00 6.02 H new ATOM 0 HB2 PHE A 86 -4.355 14.093 4.085 1.00 7.14 H new ATOM 0 HB3 PHE A 86 -3.402 15.373 4.809 1.00 7.14 H new ATOM 0 HD1 PHE A 86 -6.476 13.285 5.396 1.00 7.18 H new ATOM 0 HD2 PHE A 86 -3.343 15.650 7.162 1.00 9.36 H new ATOM 0 HE1 PHE A 86 -7.208 12.561 7.655 1.00 8.19 H new ATOM 0 HE2 PHE A 86 -4.061 14.905 9.423 1.00 10.31 H new ATOM 0 HZ PHE A 86 -5.990 13.356 9.671 1.00 9.71 H new ATOM 1397 N PHE A 87 -5.130 16.118 1.610 1.00 5.36 N ATOM 1398 CA PHE A 87 -4.753 16.638 0.288 1.00 6.44 C ATOM 1399 C PHE A 87 -5.757 17.666 -0.283 1.00 5.86 C ATOM 1400 O PHE A 87 -5.760 17.923 -1.485 1.00 7.17 O ATOM 1401 CB PHE A 87 -4.508 15.449 -0.655 1.00 6.97 C ATOM 1402 CG PHE A 87 -3.207 14.727 -0.366 1.00 7.49 C ATOM 1403 CD1 PHE A 87 -2.000 15.237 -0.880 1.00 9.20 C ATOM 1404 CD2 PHE A 87 -3.194 13.562 0.423 1.00 6.72 C ATOM 1405 CE1 PHE A 87 -0.788 14.564 -0.646 1.00 10.08 C ATOM 1406 CE2 PHE A 87 -1.980 12.895 0.668 1.00 7.48 C ATOM 1407 CZ PHE A 87 -0.781 13.385 0.117 1.00 9.15 C ATOM 0 H PHE A 87 -5.794 15.346 1.551 1.00 5.36 H new ATOM 0 HA PHE A 87 -3.831 17.209 0.391 1.00 6.44 H new ATOM 0 HB2 PHE A 87 -5.336 14.745 -0.567 1.00 6.97 H new ATOM 0 HB3 PHE A 87 -4.500 15.804 -1.685 1.00 6.97 H new ATOM 0 HD1 PHE A 87 -2.005 16.150 -1.457 1.00 9.20 H new ATOM 0 HD2 PHE A 87 -4.114 13.181 0.840 1.00 6.72 H new ATOM 0 HE1 PHE A 87 0.135 14.952 -1.052 1.00 10.08 H new ATOM 0 HE2 PHE A 87 -1.968 12.005 1.280 1.00 7.48 H new ATOM 0 HZ PHE A 87 0.145 12.854 0.281 1.00 9.15 H new ATOM 1417 N LEU A 88 -6.620 18.243 0.564 1.00 4.20 N ATOM 1418 CA LEU A 88 -7.525 19.350 0.220 1.00 3.49 C ATOM 1419 C LEU A 88 -6.789 20.664 -0.093 1.00 4.85 C ATOM 1420 O LEU A 88 -5.576 20.739 0.036 1.00 6.46 O ATOM 1421 CB LEU A 88 -8.564 19.501 1.350 1.00 1.35 C ATOM 1422 CG LEU A 88 -8.150 20.188 2.688 1.00 2.32 C ATOM 1423 CD1 LEU A 88 -6.663 20.175 3.106 1.00 3.09 C ATOM 1424 CD2 LEU A 88 -8.593 21.650 2.729 1.00 3.79 C ATOM 0 H LEU A 88 -6.711 17.945 1.535 1.00 4.20 H new ATOM 0 HA LEU A 88 -8.038 19.107 -0.711 1.00 3.49 H new ATOM 0 HB2 LEU A 88 -9.409 20.058 0.945 1.00 1.35 H new ATOM 0 HB3 LEU A 88 -8.928 18.503 1.594 1.00 1.35 H new ATOM 0 HG LEU A 88 -8.667 19.543 3.399 1.00 2.32 H new ATOM 0 HD11 LEU A 88 -6.548 20.694 4.058 1.00 3.09 H new ATOM 0 HD12 LEU A 88 -6.324 19.145 3.211 1.00 3.09 H new ATOM 0 HD13 LEU A 88 -6.067 20.678 2.345 1.00 3.09 H new ATOM 0 HD21 LEU A 88 -8.288 22.096 3.675 1.00 3.79 H new ATOM 0 HD22 LEU A 88 -8.130 22.194 1.905 1.00 3.79 H new ATOM 0 HD23 LEU A 88 -9.678 21.704 2.635 1.00 3.79 H new ATOM 1436 N GLU A 89 -7.518 21.724 -0.461 1.00 4.49 N ATOM 1437 CA GLU A 89 -6.927 23.049 -0.740 1.00 5.79 C ATOM 1438 C GLU A 89 -7.655 24.238 -0.085 1.00 5.18 C ATOM 1439 O GLU A 89 -7.149 25.356 -0.135 1.00 6.61 O ATOM 1440 CB GLU A 89 -6.872 23.264 -2.260 1.00 6.81 C ATOM 1441 CG GLU A 89 -5.830 22.379 -2.963 1.00 8.78 C ATOM 1442 CD GLU A 89 -5.697 22.803 -4.417 1.00 9.89 C ATOM 1443 OE1 GLU A 89 -5.239 23.936 -4.675 1.00 10.33 O ATOM 1444 OE2 GLU A 89 -6.166 22.083 -5.330 1.00 10.71 O ATOM 0 H GLU A 89 -8.531 21.694 -0.575 1.00 4.49 H new ATOM 0 HA GLU A 89 -5.933 23.031 -0.294 1.00 5.79 H new ATOM 0 HB2 GLU A 89 -7.855 23.062 -2.684 1.00 6.81 H new ATOM 0 HB3 GLU A 89 -6.646 24.311 -2.464 1.00 6.81 H new ATOM 0 HG2 GLU A 89 -4.867 22.464 -2.460 1.00 8.78 H new ATOM 0 HG3 GLU A 89 -6.129 21.332 -2.905 1.00 8.78 H new ATOM 1451 N ASP A 90 -8.838 24.028 0.503 1.00 3.72 N ATOM 1452 CA ASP A 90 -9.664 24.959 1.289 1.00 4.32 C ATOM 1453 C ASP A 90 -10.243 26.152 0.498 1.00 4.97 C ATOM 1454 O ASP A 90 -11.093 26.882 0.997 1.00 6.09 O ATOM 1455 CB ASP A 90 -8.865 25.403 2.527 1.00 5.70 C ATOM 1456 CG ASP A 90 -9.524 25.061 3.872 1.00 7.04 C ATOM 1457 OD1 ASP A 90 -10.193 24.006 3.981 1.00 7.26 O ATOM 1458 OD2 ASP A 90 -9.177 25.697 4.894 1.00 8.60 O ATOM 0 H ASP A 90 -9.287 23.114 0.435 1.00 3.72 H new ATOM 0 HA ASP A 90 -10.558 24.416 1.595 1.00 4.32 H new ATOM 0 HB2 ASP A 90 -7.879 24.939 2.492 1.00 5.70 H new ATOM 0 HB3 ASP A 90 -8.712 26.481 2.476 1.00 5.70 H new ATOM 1463 N ASN A 91 -9.788 26.320 -0.746 1.00 5.07 N ATOM 1464 CA ASN A 91 -10.199 27.341 -1.716 1.00 6.16 C ATOM 1465 C ASN A 91 -11.003 26.741 -2.895 1.00 5.77 C ATOM 1466 O ASN A 91 -11.304 27.439 -3.867 1.00 6.58 O ATOM 1467 CB ASN A 91 -8.924 28.042 -2.228 1.00 7.23 C ATOM 1468 CG ASN A 91 -8.214 28.863 -1.155 1.00 8.79 C ATOM 1469 OD1 ASN A 91 -8.315 30.083 -1.124 1.00 10.21 O ATOM 1470 ND2 ASN A 91 -7.459 28.242 -0.266 1.00 9.04 N ATOM 0 H ASN A 91 -9.072 25.703 -1.130 1.00 5.07 H new ATOM 0 HA ASN A 91 -10.864 28.053 -1.227 1.00 6.16 H new ATOM 0 HB2 ASN A 91 -8.236 27.291 -2.616 1.00 7.23 H new ATOM 0 HB3 ASN A 91 -9.186 28.695 -3.061 1.00 7.23 H new ATOM 0 HD21 ASN A 91 -6.962 28.779 0.445 1.00 9.04 H new ATOM 0 HD22 ASN A 91 -7.374 27.226 -0.290 1.00 9.04 H new ATOM 1477 N LYS A 92 -11.287 25.430 -2.836 1.00 5.22 N ATOM 1478 CA LYS A 92 -12.014 24.596 -3.805 1.00 6.14 C ATOM 1479 C LYS A 92 -12.947 23.648 -3.051 1.00 7.20 C ATOM 1480 O LYS A 92 -12.474 23.112 -2.025 1.00 7.22 O ATOM 1481 CB LYS A 92 -11.015 23.750 -4.601 1.00 5.95 C ATOM 1482 CG LYS A 92 -10.217 24.559 -5.632 1.00 6.19 C ATOM 1483 CD LYS A 92 -8.775 24.062 -5.662 1.00 6.06 C ATOM 1484 CE LYS A 92 -8.028 24.707 -6.829 1.00 7.13 C ATOM 1485 NZ LYS A 92 -6.637 24.209 -6.884 1.00 7.97 N ATOM 1486 OXT LYS A 92 -14.075 23.464 -3.548 1.00 8.49 O ATOM 0 H LYS A 92 -10.985 24.876 -2.034 1.00 5.22 H new ATOM 0 HA LYS A 92 -12.583 25.239 -4.477 1.00 6.14 H new ATOM 0 HB2 LYS A 92 -10.321 23.273 -3.909 1.00 5.95 H new ATOM 0 HB3 LYS A 92 -11.553 22.952 -5.113 1.00 5.95 H new ATOM 0 HG2 LYS A 92 -10.669 24.457 -6.619 1.00 6.19 H new ATOM 0 HG3 LYS A 92 -10.243 25.619 -5.378 1.00 6.19 H new ATOM 0 HD2 LYS A 92 -8.278 24.304 -4.722 1.00 6.06 H new ATOM 0 HD3 LYS A 92 -8.757 22.977 -5.762 1.00 6.06 H new ATOM 0 HE2 LYS A 92 -8.539 24.483 -7.765 1.00 7.13 H new ATOM 0 HE3 LYS A 92 -8.029 25.791 -6.716 1.00 7.13 H new ATOM 0 HZ1 LYS A 92 -6.220 24.446 -7.806 1.00 7.97 H new ATOM 0 HZ2 LYS A 92 -6.079 24.653 -6.127 1.00 7.97 H new ATOM 0 HZ3 LYS A 92 -6.633 23.177 -6.757 1.00 7.97 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -11.543 4.660 9.207 1.00 4.71 N ATOM 1502 CA MET B 1 -11.841 3.220 9.057 1.00 3.70 C ATOM 1503 C MET B 1 -11.193 2.372 10.158 1.00 2.77 C ATOM 1504 O MET B 1 -10.599 2.907 11.103 1.00 3.61 O ATOM 1505 CB MET B 1 -11.514 2.717 7.646 1.00 4.46 C ATOM 1506 CG MET B 1 -12.146 3.568 6.543 1.00 5.93 C ATOM 1507 SD MET B 1 -13.828 4.172 6.875 1.00 6.69 S ATOM 1508 CE MET B 1 -14.776 2.631 6.735 1.00 7.38 C ATOM 0 H1 MET B 1 -12.169 5.211 8.585 1.00 4.71 H new ATOM 0 H2 MET B 1 -11.698 4.945 10.195 1.00 4.71 H new ATOM 0 H3 MET B 1 -10.552 4.838 8.946 1.00 4.71 H new ATOM 0 HA MET B 1 -12.917 3.100 9.186 1.00 3.70 H new ATOM 0 HB2 MET B 1 -10.432 2.705 7.513 1.00 4.46 H new ATOM 0 HB3 MET B 1 -11.859 1.688 7.545 1.00 4.46 H new ATOM 0 HG2 MET B 1 -11.501 4.428 6.359 1.00 5.93 H new ATOM 0 HG3 MET B 1 -12.166 2.982 5.624 1.00 5.93 H new ATOM 0 HE1 MET B 1 -15.626 2.786 6.071 1.00 7.38 H new ATOM 0 HE2 MET B 1 -14.137 1.846 6.330 1.00 7.38 H new ATOM 0 HE3 MET B 1 -15.135 2.334 7.720 1.00 7.38 H new ATOM 1517 N GLU B 2 -11.348 1.049 10.084 1.00 1.74 N ATOM 1518 CA GLU B 2 -11.409 0.169 11.260 1.00 1.65 C ATOM 1519 C GLU B 2 -10.088 -0.526 11.585 1.00 1.76 C ATOM 1520 O GLU B 2 -9.773 -0.717 12.760 1.00 2.70 O ATOM 1521 CB GLU B 2 -12.428 -0.956 10.992 1.00 2.38 C ATOM 1522 CG GLU B 2 -13.882 -0.500 10.850 1.00 3.39 C ATOM 1523 CD GLU B 2 -14.064 0.516 9.730 1.00 4.15 C ATOM 1524 OE1 GLU B 2 -13.675 0.191 8.587 1.00 4.91 O ATOM 1525 OE2 GLU B 2 -14.267 1.704 10.061 1.00 4.60 O ATOM 0 H GLU B 2 -11.436 0.550 9.199 1.00 1.74 H new ATOM 0 HA GLU B 2 -11.678 0.813 12.097 1.00 1.65 H new ATOM 0 HB2 GLU B 2 -12.137 -1.478 10.080 1.00 2.38 H new ATOM 0 HB3 GLU B 2 -12.369 -1.679 11.806 1.00 2.38 H new ATOM 0 HG2 GLU B 2 -14.515 -1.366 10.657 1.00 3.39 H new ATOM 0 HG3 GLU B 2 -14.217 -0.064 11.791 1.00 3.39 H new ATOM 1532 N THR B 3 -9.365 -0.927 10.543 1.00 1.28 N ATOM 1533 CA THR B 3 -8.381 -2.024 10.543 1.00 1.45 C ATOM 1534 C THR B 3 -6.957 -1.526 10.875 1.00 1.25 C ATOM 1535 O THR B 3 -6.809 -0.320 11.097 1.00 1.29 O ATOM 1536 CB THR B 3 -8.470 -2.783 9.208 1.00 1.73 C ATOM 1537 OG1 THR B 3 -7.616 -2.164 8.283 1.00 1.66 O ATOM 1538 CG2 THR B 3 -9.871 -2.871 8.591 1.00 2.04 C ATOM 0 H THR B 3 -9.447 -0.480 9.630 1.00 1.28 H new ATOM 0 HA THR B 3 -8.621 -2.726 11.342 1.00 1.45 H new ATOM 0 HB THR B 3 -8.181 -3.809 9.435 1.00 1.73 H new ATOM 0 HG1 THR B 3 -6.941 -2.807 7.980 1.00 1.66 H new ATOM 0 HG21 THR B 3 -9.822 -3.425 7.654 1.00 2.04 H new ATOM 0 HG22 THR B 3 -10.541 -3.384 9.281 1.00 2.04 H new ATOM 0 HG23 THR B 3 -10.248 -1.866 8.399 1.00 2.04 H new ATOM 1546 N PRO B 4 -5.915 -2.387 10.975 1.00 1.20 N ATOM 1547 CA PRO B 4 -4.628 -1.971 11.522 1.00 1.20 C ATOM 1548 C PRO B 4 -3.802 -1.105 10.567 1.00 1.12 C ATOM 1549 O PRO B 4 -3.281 -0.095 11.031 1.00 1.25 O ATOM 1550 CB PRO B 4 -3.903 -3.251 11.942 1.00 1.41 C ATOM 1551 CG PRO B 4 -4.490 -4.324 11.038 1.00 1.42 C ATOM 1552 CD PRO B 4 -5.914 -3.835 10.761 1.00 1.30 C ATOM 0 HA PRO B 4 -4.783 -1.314 12.378 1.00 1.20 H new ATOM 0 HB2 PRO B 4 -2.825 -3.161 11.806 1.00 1.41 H new ATOM 0 HB3 PRO B 4 -4.074 -3.479 12.994 1.00 1.41 H new ATOM 0 HG2 PRO B 4 -3.917 -4.427 10.117 1.00 1.42 H new ATOM 0 HG3 PRO B 4 -4.490 -5.300 11.524 1.00 1.42 H new ATOM 0 HD2 PRO B 4 -6.213 -4.075 9.741 1.00 1.30 H new ATOM 0 HD3 PRO B 4 -6.626 -4.324 11.425 1.00 1.30 H new ATOM 1560 N LEU B 5 -3.692 -1.417 9.262 1.00 1.01 N ATOM 1561 CA LEU B 5 -2.860 -0.600 8.356 1.00 0.96 C ATOM 1562 C LEU B 5 -3.422 0.812 8.169 1.00 0.88 C ATOM 1563 O LEU B 5 -2.652 1.770 8.096 1.00 0.93 O ATOM 1564 CB LEU B 5 -2.695 -1.321 7.012 1.00 1.01 C ATOM 1565 CG LEU B 5 -1.707 -0.678 6.016 1.00 1.07 C ATOM 1566 CD1 LEU B 5 -0.290 -0.530 6.588 1.00 1.60 C ATOM 1567 CD2 LEU B 5 -1.633 -1.542 4.749 1.00 1.56 C ATOM 0 H LEU B 5 -4.156 -2.209 8.818 1.00 1.01 H new ATOM 0 HA LEU B 5 -1.879 -0.479 8.815 1.00 0.96 H new ATOM 0 HB2 LEU B 5 -2.369 -2.343 7.208 1.00 1.01 H new ATOM 0 HB3 LEU B 5 -3.672 -1.384 6.534 1.00 1.01 H new ATOM 0 HG LEU B 5 -2.082 0.322 5.798 1.00 1.07 H new ATOM 0 HD11 LEU B 5 0.358 -0.072 5.841 1.00 1.60 H new ATOM 0 HD12 LEU B 5 -0.320 0.100 7.477 1.00 1.60 H new ATOM 0 HD13 LEU B 5 0.100 -1.513 6.853 1.00 1.60 H new ATOM 0 HD21 LEU B 5 -0.936 -1.092 4.042 1.00 1.56 H new ATOM 0 HD22 LEU B 5 -1.289 -2.543 5.011 1.00 1.56 H new ATOM 0 HD23 LEU B 5 -2.621 -1.606 4.294 1.00 1.56 H new ATOM 1579 N GLU B 6 -4.749 0.957 8.216 1.00 0.88 N ATOM 1580 CA GLU B 6 -5.426 2.254 8.325 1.00 0.96 C ATOM 1581 C GLU B 6 -4.847 3.050 9.505 1.00 0.91 C ATOM 1582 O GLU B 6 -4.502 4.221 9.352 1.00 0.91 O ATOM 1583 CB GLU B 6 -6.935 2.019 8.506 1.00 1.15 C ATOM 1584 CG GLU B 6 -7.768 3.235 8.933 1.00 1.51 C ATOM 1585 CD GLU B 6 -8.118 4.213 7.814 1.00 2.13 C ATOM 1586 OE1 GLU B 6 -7.403 4.252 6.790 1.00 2.70 O ATOM 1587 OE2 GLU B 6 -9.166 4.877 8.003 1.00 3.38 O ATOM 0 H GLU B 6 -5.393 0.167 8.179 1.00 0.88 H new ATOM 0 HA GLU B 6 -5.266 2.835 7.417 1.00 0.96 H new ATOM 0 HB2 GLU B 6 -7.337 1.642 7.566 1.00 1.15 H new ATOM 0 HB3 GLU B 6 -7.072 1.233 9.249 1.00 1.15 H new ATOM 0 HG2 GLU B 6 -8.694 2.879 9.385 1.00 1.51 H new ATOM 0 HG3 GLU B 6 -7.222 3.775 9.707 1.00 1.51 H new ATOM 1594 N LYS B 7 -4.672 2.444 10.685 1.00 0.97 N ATOM 1595 CA LYS B 7 -4.061 3.161 11.823 1.00 0.99 C ATOM 1596 C LYS B 7 -2.629 3.652 11.534 1.00 0.95 C ATOM 1597 O LYS B 7 -2.242 4.717 12.031 1.00 1.11 O ATOM 1598 CB LYS B 7 -4.081 2.334 13.124 1.00 1.13 C ATOM 1599 CG LYS B 7 -5.367 1.582 13.438 1.00 1.29 C ATOM 1600 CD LYS B 7 -6.649 2.402 13.266 1.00 2.10 C ATOM 1601 CE LYS B 7 -7.761 1.432 13.618 1.00 3.15 C ATOM 1602 NZ LYS B 7 -9.112 1.972 13.352 1.00 3.99 N ATOM 0 H LYS B 7 -4.937 1.479 10.881 1.00 0.97 H new ATOM 0 HA LYS B 7 -4.689 4.040 11.966 1.00 0.99 H new ATOM 0 HB2 LYS B 7 -3.266 1.611 13.080 1.00 1.13 H new ATOM 0 HB3 LYS B 7 -3.867 3.004 13.956 1.00 1.13 H new ATOM 0 HG2 LYS B 7 -5.425 0.704 12.794 1.00 1.29 H new ATOM 0 HG3 LYS B 7 -5.319 1.221 14.465 1.00 1.29 H new ATOM 0 HD2 LYS B 7 -6.657 3.272 13.923 1.00 2.10 H new ATOM 0 HD3 LYS B 7 -6.751 2.772 12.246 1.00 2.10 H new ATOM 0 HE2 LYS B 7 -7.626 0.512 13.049 1.00 3.15 H new ATOM 0 HE3 LYS B 7 -7.684 1.168 14.673 1.00 3.15 H new ATOM 0 HZ1 LYS B 7 -9.820 1.225 13.500 1.00 3.99 H new ATOM 0 HZ2 LYS B 7 -9.303 2.763 14.000 1.00 3.99 H new ATOM 0 HZ3 LYS B 7 -9.164 2.309 12.369 1.00 3.99 H new ATOM 1616 N ALA B 8 -1.859 2.928 10.713 1.00 0.87 N ATOM 1617 CA ALA B 8 -0.523 3.346 10.293 1.00 0.81 C ATOM 1618 C ALA B 8 -0.584 4.618 9.443 1.00 0.64 C ATOM 1619 O ALA B 8 0.027 5.616 9.824 1.00 0.62 O ATOM 1620 CB ALA B 8 0.181 2.203 9.556 1.00 0.96 C ATOM 0 H ALA B 8 -2.150 2.032 10.321 1.00 0.87 H new ATOM 0 HA ALA B 8 0.063 3.585 11.181 1.00 0.81 H new ATOM 0 HB1 ALA B 8 1.175 2.526 9.248 1.00 0.96 H new ATOM 0 HB2 ALA B 8 0.269 1.342 10.219 1.00 0.96 H new ATOM 0 HB3 ALA B 8 -0.399 1.926 8.676 1.00 0.96 H new ATOM 1626 N LEU B 9 -1.370 4.617 8.359 1.00 0.58 N ATOM 1627 CA LEU B 9 -1.625 5.800 7.529 1.00 0.53 C ATOM 1628 C LEU B 9 -2.164 6.955 8.374 1.00 0.48 C ATOM 1629 O LEU B 9 -1.581 8.042 8.344 1.00 0.48 O ATOM 1630 CB LEU B 9 -2.604 5.444 6.388 1.00 0.58 C ATOM 1631 CG LEU B 9 -1.977 4.886 5.095 1.00 0.58 C ATOM 1632 CD1 LEU B 9 -1.086 5.929 4.400 1.00 0.75 C ATOM 1633 CD2 LEU B 9 -1.190 3.591 5.337 1.00 0.56 C ATOM 0 H LEU B 9 -1.854 3.782 8.029 1.00 0.58 H new ATOM 0 HA LEU B 9 -0.683 6.126 7.089 1.00 0.53 H new ATOM 0 HB2 LEU B 9 -3.317 4.711 6.766 1.00 0.58 H new ATOM 0 HB3 LEU B 9 -3.172 6.339 6.134 1.00 0.58 H new ATOM 0 HG LEU B 9 -2.810 4.647 4.433 1.00 0.58 H new ATOM 0 HD11 LEU B 9 -0.662 5.499 3.493 1.00 0.75 H new ATOM 0 HD12 LEU B 9 -1.683 6.804 4.142 1.00 0.75 H new ATOM 0 HD13 LEU B 9 -0.280 6.225 5.072 1.00 0.75 H new ATOM 0 HD21 LEU B 9 -0.769 3.240 4.395 1.00 0.56 H new ATOM 0 HD22 LEU B 9 -0.384 3.782 6.046 1.00 0.56 H new ATOM 0 HD23 LEU B 9 -1.857 2.830 5.742 1.00 0.56 H new ATOM 1645 N THR B 10 -3.202 6.693 9.181 1.00 0.52 N ATOM 1646 CA THR B 10 -3.831 7.646 10.116 1.00 0.53 C ATOM 1647 C THR B 10 -2.786 8.356 10.965 1.00 0.56 C ATOM 1648 O THR B 10 -2.802 9.581 11.028 1.00 0.61 O ATOM 1649 CB THR B 10 -4.835 6.949 11.045 1.00 0.63 C ATOM 1650 OG1 THR B 10 -5.830 6.309 10.292 1.00 0.94 O ATOM 1651 CG2 THR B 10 -5.546 7.938 11.971 1.00 1.14 C ATOM 0 H THR B 10 -3.647 5.775 9.204 1.00 0.52 H new ATOM 0 HA THR B 10 -4.361 8.377 9.505 1.00 0.53 H new ATOM 0 HB THR B 10 -4.260 6.238 11.638 1.00 0.63 H new ATOM 0 HG1 THR B 10 -5.478 5.469 9.931 1.00 0.94 H new ATOM 0 HG21 THR B 10 -6.246 7.400 12.610 1.00 1.14 H new ATOM 0 HG22 THR B 10 -4.810 8.450 12.591 1.00 1.14 H new ATOM 0 HG23 THR B 10 -6.089 8.670 11.373 1.00 1.14 H new ATOM 1659 N THR B 11 -1.866 7.611 11.584 1.00 0.58 N ATOM 1660 CA THR B 11 -0.820 8.157 12.465 1.00 0.61 C ATOM 1661 C THR B 11 0.101 9.084 11.683 1.00 0.56 C ATOM 1662 O THR B 11 0.300 10.223 12.085 1.00 0.64 O ATOM 1663 CB THR B 11 -0.029 7.025 13.126 1.00 0.69 C ATOM 1664 OG1 THR B 11 -0.913 6.260 13.902 1.00 0.86 O ATOM 1665 CG2 THR B 11 1.084 7.527 14.048 1.00 0.76 C ATOM 0 H THR B 11 -1.823 6.596 11.488 1.00 0.58 H new ATOM 0 HA THR B 11 -1.297 8.739 13.254 1.00 0.61 H new ATOM 0 HB THR B 11 0.434 6.448 12.326 1.00 0.69 H new ATOM 0 HG1 THR B 11 -1.392 5.629 13.325 1.00 0.86 H new ATOM 0 HG21 THR B 11 1.606 6.676 14.485 1.00 0.76 H new ATOM 0 HG22 THR B 11 1.788 8.129 13.474 1.00 0.76 H new ATOM 0 HG23 THR B 11 0.652 8.134 14.843 1.00 0.76 H new ATOM 1673 N MET B 12 0.589 8.621 10.529 1.00 0.52 N ATOM 1674 CA MET B 12 1.489 9.382 9.659 1.00 0.54 C ATOM 1675 C MET B 12 0.828 10.673 9.149 1.00 0.58 C ATOM 1676 O MET B 12 1.436 11.737 9.241 1.00 0.67 O ATOM 1677 CB MET B 12 1.957 8.483 8.503 1.00 0.66 C ATOM 1678 CG MET B 12 2.721 7.241 8.953 1.00 0.97 C ATOM 1679 SD MET B 12 2.810 5.979 7.657 1.00 1.34 S ATOM 1680 CE MET B 12 4.519 6.200 7.113 1.00 0.68 C ATOM 0 H MET B 12 0.367 7.693 10.168 1.00 0.52 H new ATOM 0 HA MET B 12 2.360 9.693 10.236 1.00 0.54 H new ATOM 0 HB2 MET B 12 1.088 8.172 7.923 1.00 0.66 H new ATOM 0 HB3 MET B 12 2.593 9.066 7.837 1.00 0.66 H new ATOM 0 HG2 MET B 12 3.731 7.526 9.249 1.00 0.97 H new ATOM 0 HG3 MET B 12 2.237 6.820 9.834 1.00 0.97 H new ATOM 0 HE1 MET B 12 4.740 5.495 6.312 1.00 0.68 H new ATOM 0 HE2 MET B 12 4.656 7.218 6.748 1.00 0.68 H new ATOM 0 HE3 MET B 12 5.193 6.021 7.950 1.00 0.68 H new ATOM 1690 N VAL B 13 -0.423 10.614 8.661 1.00 0.59 N ATOM 1691 CA VAL B 13 -1.153 11.830 8.223 1.00 0.70 C ATOM 1692 C VAL B 13 -1.469 12.768 9.398 1.00 0.73 C ATOM 1693 O VAL B 13 -1.466 13.991 9.226 1.00 0.83 O ATOM 1694 CB VAL B 13 -2.446 11.557 7.406 1.00 0.77 C ATOM 1695 CG1 VAL B 13 -2.149 10.814 6.095 1.00 0.81 C ATOM 1696 CG2 VAL B 13 -3.567 10.844 8.167 1.00 0.73 C ATOM 0 H VAL B 13 -0.952 9.748 8.558 1.00 0.59 H new ATOM 0 HA VAL B 13 -0.457 12.320 7.542 1.00 0.70 H new ATOM 0 HB VAL B 13 -2.825 12.555 7.187 1.00 0.77 H new ATOM 0 HG11 VAL B 13 -3.080 10.643 5.555 1.00 0.81 H new ATOM 0 HG12 VAL B 13 -1.478 11.414 5.481 1.00 0.81 H new ATOM 0 HG13 VAL B 13 -1.678 9.857 6.318 1.00 0.81 H new ATOM 0 HG21 VAL B 13 -4.422 10.702 7.506 1.00 0.73 H new ATOM 0 HG22 VAL B 13 -3.212 9.874 8.513 1.00 0.73 H new ATOM 0 HG23 VAL B 13 -3.866 11.448 9.024 1.00 0.73 H new ATOM 1706 N THR B 14 -1.671 12.216 10.606 1.00 0.69 N ATOM 1707 CA THR B 14 -1.962 12.993 11.819 1.00 0.77 C ATOM 1708 C THR B 14 -0.742 13.791 12.228 1.00 0.81 C ATOM 1709 O THR B 14 -0.865 15.002 12.391 1.00 1.15 O ATOM 1710 CB THR B 14 -2.436 12.094 12.964 1.00 0.78 C ATOM 1711 OG1 THR B 14 -3.677 11.559 12.595 1.00 1.04 O ATOM 1712 CG2 THR B 14 -2.692 12.850 14.268 1.00 1.03 C ATOM 0 H THR B 14 -1.636 11.210 10.768 1.00 0.69 H new ATOM 0 HA THR B 14 -2.775 13.683 11.593 1.00 0.77 H new ATOM 0 HB THR B 14 -1.652 11.356 13.131 1.00 0.78 H new ATOM 0 HG1 THR B 14 -3.551 10.652 12.246 1.00 1.04 H new ATOM 0 HG21 THR B 14 -3.025 12.150 15.035 1.00 1.03 H new ATOM 0 HG22 THR B 14 -1.772 13.335 14.594 1.00 1.03 H new ATOM 0 HG23 THR B 14 -3.462 13.604 14.106 1.00 1.03 H new ATOM 1720 N THR B 15 0.438 13.169 12.361 1.00 0.62 N ATOM 1721 CA THR B 15 1.647 13.896 12.784 1.00 0.71 C ATOM 1722 C THR B 15 2.293 14.740 11.698 1.00 0.63 C ATOM 1723 O THR B 15 3.045 15.639 12.075 1.00 0.91 O ATOM 1724 CB THR B 15 2.610 13.024 13.591 1.00 1.07 C ATOM 1725 OG1 THR B 15 2.929 11.792 13.002 1.00 1.41 O ATOM 1726 CG2 THR B 15 1.960 12.764 14.953 1.00 1.93 C ATOM 0 H THR B 15 0.582 12.175 12.184 1.00 0.62 H new ATOM 0 HA THR B 15 1.299 14.651 13.489 1.00 0.71 H new ATOM 0 HB THR B 15 3.552 13.569 13.657 1.00 1.07 H new ATOM 0 HG1 THR B 15 3.665 11.374 13.496 1.00 1.41 H new ATOM 0 HG21 THR B 15 2.620 12.143 15.559 1.00 1.93 H new ATOM 0 HG22 THR B 15 1.788 13.713 15.461 1.00 1.93 H new ATOM 0 HG23 THR B 15 1.009 12.251 14.810 1.00 1.93 H new ATOM 1734 N PHE B 16 1.905 14.580 10.429 1.00 0.61 N ATOM 1735 CA PHE B 16 2.064 15.609 9.393 1.00 0.68 C ATOM 1736 C PHE B 16 1.195 16.836 9.716 1.00 0.66 C ATOM 1737 O PHE B 16 1.721 17.934 9.879 1.00 0.79 O ATOM 1738 CB PHE B 16 1.712 14.991 8.025 1.00 0.81 C ATOM 1739 CG PHE B 16 1.934 15.861 6.797 1.00 0.92 C ATOM 1740 CD1 PHE B 16 3.236 16.055 6.294 1.00 1.44 C ATOM 1741 CD2 PHE B 16 0.838 16.424 6.113 1.00 2.11 C ATOM 1742 CE1 PHE B 16 3.441 16.818 5.127 1.00 1.46 C ATOM 1743 CE2 PHE B 16 1.043 17.196 4.954 1.00 2.21 C ATOM 1744 CZ PHE B 16 2.345 17.402 4.466 1.00 1.14 C ATOM 0 H PHE B 16 1.467 13.724 10.087 1.00 0.61 H new ATOM 0 HA PHE B 16 3.097 15.957 9.361 1.00 0.68 H new ATOM 0 HB2 PHE B 16 2.297 14.079 7.905 1.00 0.81 H new ATOM 0 HB3 PHE B 16 0.663 14.696 8.046 1.00 0.81 H new ATOM 0 HD1 PHE B 16 4.081 15.617 6.805 1.00 1.44 H new ATOM 0 HD2 PHE B 16 -0.165 16.262 6.480 1.00 2.11 H new ATOM 0 HE1 PHE B 16 4.440 16.954 4.740 1.00 1.46 H new ATOM 0 HE2 PHE B 16 0.199 17.631 4.439 1.00 2.21 H new ATOM 0 HZ PHE B 16 2.504 18.007 3.586 1.00 1.14 H new ATOM 1754 N HIS B 17 -0.120 16.664 9.913 1.00 0.65 N ATOM 1755 CA HIS B 17 -1.047 17.759 10.241 1.00 0.67 C ATOM 1756 C HIS B 17 -0.808 18.387 11.640 1.00 0.85 C ATOM 1757 O HIS B 17 -1.312 19.468 11.945 1.00 1.28 O ATOM 1758 CB HIS B 17 -2.479 17.239 10.040 1.00 0.73 C ATOM 1759 CG HIS B 17 -3.533 18.314 9.939 1.00 1.11 C ATOM 1760 ND1 HIS B 17 -4.070 19.027 10.984 1.00 1.99 N ATOM 1761 CD2 HIS B 17 -4.111 18.792 8.791 1.00 1.28 C ATOM 1762 CE1 HIS B 17 -4.942 19.917 10.479 1.00 2.32 C ATOM 1763 NE2 HIS B 17 -5.007 19.808 9.142 1.00 1.84 N ATOM 0 H HIS B 17 -0.575 15.753 9.849 1.00 0.65 H new ATOM 0 HA HIS B 17 -0.864 18.595 9.566 1.00 0.67 H new ATOM 0 HB2 HIS B 17 -2.508 16.635 9.133 1.00 0.73 H new ATOM 0 HB3 HIS B 17 -2.731 16.579 10.870 1.00 0.73 H new ATOM 0 HD2 HIS B 17 -3.909 18.444 7.789 1.00 1.28 H new ATOM 0 HE1 HIS B 17 -5.511 20.622 11.067 1.00 2.32 H new ATOM 0 HE2 HIS B 17 -5.591 20.355 8.510 1.00 1.84 H new ATOM 1772 N LYS B 18 0.039 17.785 12.488 1.00 0.71 N ATOM 1773 CA LYS B 18 0.610 18.464 13.662 1.00 0.81 C ATOM 1774 C LYS B 18 1.456 19.706 13.282 1.00 0.88 C ATOM 1775 O LYS B 18 1.735 20.541 14.143 1.00 1.09 O ATOM 1776 CB LYS B 18 1.432 17.446 14.473 1.00 0.82 C ATOM 1777 CG LYS B 18 1.706 17.866 15.932 1.00 1.31 C ATOM 1778 CD LYS B 18 3.186 17.771 16.356 1.00 2.19 C ATOM 1779 CE LYS B 18 3.715 16.348 16.601 1.00 3.49 C ATOM 1780 NZ LYS B 18 3.829 15.530 15.374 1.00 4.47 N ATOM 0 H LYS B 18 0.347 16.818 12.381 1.00 0.71 H new ATOM 0 HA LYS B 18 -0.209 18.844 14.273 1.00 0.81 H new ATOM 0 HB2 LYS B 18 0.906 16.492 14.475 1.00 0.82 H new ATOM 0 HB3 LYS B 18 2.385 17.283 13.969 1.00 0.82 H new ATOM 0 HG2 LYS B 18 1.366 18.892 16.072 1.00 1.31 H new ATOM 0 HG3 LYS B 18 1.110 17.240 16.596 1.00 1.31 H new ATOM 0 HD2 LYS B 18 3.797 18.239 15.585 1.00 2.19 H new ATOM 0 HD3 LYS B 18 3.323 18.353 17.268 1.00 2.19 H new ATOM 0 HE2 LYS B 18 4.694 16.412 17.075 1.00 3.49 H new ATOM 0 HE3 LYS B 18 3.053 15.841 17.303 1.00 3.49 H new ATOM 0 HZ1 LYS B 18 4.223 14.598 15.614 1.00 4.47 H new ATOM 0 HZ2 LYS B 18 2.888 15.409 14.949 1.00 4.47 H new ATOM 0 HZ3 LYS B 18 4.457 16.007 14.696 1.00 4.47 H new ATOM 1794 N TYR B 19 1.885 19.825 12.019 1.00 0.91 N ATOM 1795 CA TYR B 19 2.674 20.925 11.447 1.00 1.19 C ATOM 1796 C TYR B 19 1.914 21.578 10.273 1.00 1.52 C ATOM 1797 O TYR B 19 1.322 22.643 10.449 1.00 2.69 O ATOM 1798 CB TYR B 19 4.045 20.385 10.996 1.00 1.22 C ATOM 1799 CG TYR B 19 4.980 19.958 12.112 1.00 1.14 C ATOM 1800 CD1 TYR B 19 4.863 18.684 12.702 1.00 1.69 C ATOM 1801 CD2 TYR B 19 6.004 20.831 12.537 1.00 2.51 C ATOM 1802 CE1 TYR B 19 5.747 18.292 13.721 1.00 1.61 C ATOM 1803 CE2 TYR B 19 6.905 20.438 13.542 1.00 2.79 C ATOM 1804 CZ TYR B 19 6.784 19.163 14.136 1.00 1.57 C ATOM 1805 OH TYR B 19 7.671 18.776 15.093 1.00 1.98 O ATOM 0 H TYR B 19 1.677 19.109 11.323 1.00 0.91 H new ATOM 0 HA TYR B 19 2.833 21.694 12.203 1.00 1.19 H new ATOM 0 HB2 TYR B 19 3.881 19.532 10.337 1.00 1.22 H new ATOM 0 HB3 TYR B 19 4.542 21.154 10.404 1.00 1.22 H new ATOM 0 HD1 TYR B 19 4.091 18.006 12.370 1.00 1.69 H new ATOM 0 HD2 TYR B 19 6.096 21.808 12.087 1.00 2.51 H new ATOM 0 HE1 TYR B 19 5.636 17.325 14.189 1.00 1.61 H new ATOM 0 HE2 TYR B 19 7.688 21.110 13.859 1.00 2.79 H new ATOM 0 HH TYR B 19 7.788 17.804 15.057 1.00 1.98 H new ATOM 1815 N SER B 20 1.879 20.909 9.118 1.00 0.78 N ATOM 1816 CA SER B 20 1.138 21.221 7.885 1.00 0.85 C ATOM 1817 C SER B 20 -0.369 21.008 8.097 1.00 1.76 C ATOM 1818 O SER B 20 -0.983 20.060 7.608 1.00 3.68 O ATOM 1819 CB SER B 20 1.696 20.347 6.749 1.00 0.97 C ATOM 1820 OG SER B 20 2.102 19.069 7.206 1.00 1.86 O ATOM 0 H SER B 20 2.420 20.051 9.008 1.00 0.78 H new ATOM 0 HA SER B 20 1.269 22.269 7.615 1.00 0.85 H new ATOM 0 HB2 SER B 20 0.936 20.230 5.976 1.00 0.97 H new ATOM 0 HB3 SER B 20 2.544 20.852 6.288 1.00 0.97 H new ATOM 0 HG SER B 20 1.844 18.389 6.549 1.00 1.86 H new ATOM 1826 N GLY B 21 -0.950 21.886 8.912 1.00 1.18 N ATOM 1827 CA GLY B 21 -2.259 21.717 9.541 1.00 1.74 C ATOM 1828 C GLY B 21 -2.550 22.693 10.676 1.00 2.32 C ATOM 1829 O GLY B 21 -3.705 22.827 11.069 1.00 2.98 O ATOM 0 H GLY B 21 -0.505 22.769 9.162 1.00 1.18 H new ATOM 0 HA2 GLY B 21 -3.030 21.827 8.779 1.00 1.74 H new ATOM 0 HA3 GLY B 21 -2.334 20.700 9.926 1.00 1.74 H new ATOM 1832 N ARG B 22 -1.535 23.400 11.190 1.00 2.38 N ATOM 1833 CA ARG B 22 -1.699 24.405 12.250 1.00 3.23 C ATOM 1834 C ARG B 22 -2.123 25.790 11.745 1.00 3.68 C ATOM 1835 O ARG B 22 -2.875 26.461 12.443 1.00 4.53 O ATOM 1836 CB ARG B 22 -0.391 24.539 13.037 1.00 3.33 C ATOM 1837 CG ARG B 22 -0.135 23.302 13.913 1.00 3.95 C ATOM 1838 CD ARG B 22 1.077 23.494 14.837 1.00 4.09 C ATOM 1839 NE ARG B 22 0.936 24.676 15.716 1.00 5.07 N ATOM 1840 CZ ARG B 22 0.151 24.787 16.786 1.00 6.86 C ATOM 1841 NH1 ARG B 22 -0.573 23.782 17.229 1.00 8.00 N ATOM 1842 NH2 ARG B 22 0.065 25.940 17.415 1.00 7.94 N ATOM 0 H ARG B 22 -0.569 23.290 10.880 1.00 2.38 H new ATOM 0 HA ARG B 22 -2.510 24.044 12.882 1.00 3.23 H new ATOM 0 HB2 ARG B 22 0.440 24.675 12.345 1.00 3.33 H new ATOM 0 HB3 ARG B 22 -0.432 25.429 13.665 1.00 3.33 H new ATOM 0 HG2 ARG B 22 -1.020 23.094 14.514 1.00 3.95 H new ATOM 0 HG3 ARG B 22 0.029 22.433 13.275 1.00 3.95 H new ATOM 0 HD2 ARG B 22 1.207 22.602 15.450 1.00 4.09 H new ATOM 0 HD3 ARG B 22 1.978 23.600 14.233 1.00 4.09 H new ATOM 0 HE ARG B 22 1.500 25.492 15.477 1.00 5.07 H new ATOM 0 HH11 ARG B 22 -0.544 22.882 16.750 1.00 8.00 H new ATOM 0 HH12 ARG B 22 -1.163 23.903 18.052 1.00 8.00 H new ATOM 0 HH21 ARG B 22 0.598 26.743 17.082 1.00 7.94 H new ATOM 0 HH22 ARG B 22 -0.535 26.030 18.235 1.00 7.94 H new ATOM 1856 N GLU B 23 -1.593 26.217 10.597 1.00 3.30 N ATOM 1857 CA GLU B 23 -1.765 27.513 9.931 1.00 3.82 C ATOM 1858 C GLU B 23 -0.797 27.598 8.744 1.00 2.97 C ATOM 1859 O GLU B 23 0.111 26.765 8.636 1.00 3.05 O ATOM 1860 CB GLU B 23 -1.564 28.726 10.875 1.00 5.46 C ATOM 1861 CG GLU B 23 -2.803 29.616 10.939 1.00 6.82 C ATOM 1862 CD GLU B 23 -3.007 30.392 9.639 1.00 7.70 C ATOM 1863 OE1 GLU B 23 -3.437 29.755 8.653 1.00 8.33 O ATOM 1864 OE2 GLU B 23 -2.643 31.585 9.620 1.00 8.26 O ATOM 0 H GLU B 23 -0.975 25.609 10.059 1.00 3.30 H new ATOM 0 HA GLU B 23 -2.799 27.566 9.590 1.00 3.82 H new ATOM 0 HB2 GLU B 23 -1.322 28.369 11.876 1.00 5.46 H new ATOM 0 HB3 GLU B 23 -0.713 29.314 10.532 1.00 5.46 H new ATOM 0 HG2 GLU B 23 -3.682 29.003 11.139 1.00 6.82 H new ATOM 0 HG3 GLU B 23 -2.707 30.315 11.769 1.00 6.82 H new ATOM 1871 N GLY B 24 -0.987 28.575 7.854 1.00 3.40 N ATOM 1872 CA GLY B 24 -0.155 28.847 6.677 1.00 3.60 C ATOM 1873 C GLY B 24 -0.400 27.860 5.540 1.00 3.20 C ATOM 1874 O GLY B 24 -0.638 28.258 4.404 1.00 3.72 O ATOM 0 H GLY B 24 -1.764 29.231 7.938 1.00 3.40 H new ATOM 0 HA2 GLY B 24 -0.354 29.859 6.323 1.00 3.60 H new ATOM 0 HA3 GLY B 24 0.896 28.810 6.964 1.00 3.60 H new ATOM 1877 N SER B 25 -0.384 26.568 5.850 1.00 2.96 N ATOM 1878 CA SER B 25 -0.748 25.482 4.937 1.00 2.65 C ATOM 1879 C SER B 25 -1.200 24.223 5.693 1.00 2.43 C ATOM 1880 O SER B 25 -0.482 23.664 6.523 1.00 2.80 O ATOM 1881 CB SER B 25 0.408 25.135 3.995 1.00 2.96 C ATOM 1882 OG SER B 25 0.021 24.059 3.156 1.00 2.79 O ATOM 0 H SER B 25 -0.109 26.233 6.773 1.00 2.96 H new ATOM 0 HA SER B 25 -1.589 25.843 4.344 1.00 2.65 H new ATOM 0 HB2 SER B 25 0.675 26.003 3.393 1.00 2.96 H new ATOM 0 HB3 SER B 25 1.292 24.863 4.571 1.00 2.96 H new ATOM 0 HG SER B 25 0.062 24.344 2.219 1.00 2.79 H new ATOM 1888 N LYS B 26 -2.392 23.727 5.371 1.00 2.11 N ATOM 1889 CA LYS B 26 -2.987 22.502 5.930 1.00 1.92 C ATOM 1890 C LYS B 26 -2.748 21.260 5.049 1.00 1.99 C ATOM 1891 O LYS B 26 -3.602 20.380 4.941 1.00 2.64 O ATOM 1892 CB LYS B 26 -4.466 22.798 6.225 1.00 2.23 C ATOM 1893 CG LYS B 26 -5.248 23.188 4.959 1.00 2.49 C ATOM 1894 CD LYS B 26 -6.646 23.709 5.271 1.00 2.67 C ATOM 1895 CE LYS B 26 -7.485 22.731 6.094 1.00 1.78 C ATOM 1896 NZ LYS B 26 -8.861 23.259 6.252 1.00 2.56 N ATOM 0 H LYS B 26 -2.999 24.180 4.688 1.00 2.11 H new ATOM 0 HA LYS B 26 -2.492 22.233 6.863 1.00 1.92 H new ATOM 0 HB2 LYS B 26 -4.927 21.920 6.678 1.00 2.23 H new ATOM 0 HB3 LYS B 26 -4.534 23.605 6.954 1.00 2.23 H new ATOM 0 HG2 LYS B 26 -4.693 23.952 4.414 1.00 2.49 H new ATOM 0 HG3 LYS B 26 -5.325 22.321 4.303 1.00 2.49 H new ATOM 0 HD2 LYS B 26 -6.563 24.651 5.813 1.00 2.67 H new ATOM 0 HD3 LYS B 26 -7.163 23.924 4.336 1.00 2.67 H new ATOM 0 HE2 LYS B 26 -7.513 21.759 5.602 1.00 1.78 H new ATOM 0 HE3 LYS B 26 -7.029 22.580 7.072 1.00 1.78 H new ATOM 0 HZ1 LYS B 26 -9.296 22.846 7.102 1.00 2.56 H new ATOM 0 HZ2 LYS B 26 -8.827 24.294 6.349 1.00 2.56 H new ATOM 0 HZ3 LYS B 26 -9.427 23.008 5.416 1.00 2.56 H new ATOM 1910 N LEU B 27 -1.636 21.278 4.308 1.00 1.99 N ATOM 1911 CA LEU B 27 -1.454 20.537 3.067 1.00 2.28 C ATOM 1912 C LEU B 27 0.038 20.293 2.764 1.00 1.87 C ATOM 1913 O LEU B 27 0.392 19.219 2.280 1.00 1.84 O ATOM 1914 CB LEU B 27 -2.141 21.407 1.995 1.00 3.42 C ATOM 1915 CG LEU B 27 -1.988 20.894 0.561 1.00 3.57 C ATOM 1916 CD1 LEU B 27 -2.629 19.512 0.399 1.00 2.80 C ATOM 1917 CD2 LEU B 27 -2.560 21.934 -0.409 1.00 5.86 C ATOM 0 H LEU B 27 -0.816 21.827 4.567 1.00 1.99 H new ATOM 0 HA LEU B 27 -1.888 19.538 3.110 1.00 2.28 H new ATOM 0 HB2 LEU B 27 -3.203 21.478 2.230 1.00 3.42 H new ATOM 0 HB3 LEU B 27 -1.734 22.417 2.051 1.00 3.42 H new ATOM 0 HG LEU B 27 -0.932 20.762 0.326 1.00 3.57 H new ATOM 0 HD11 LEU B 27 -2.506 19.172 -0.629 1.00 2.80 H new ATOM 0 HD12 LEU B 27 -2.147 18.806 1.075 1.00 2.80 H new ATOM 0 HD13 LEU B 27 -3.691 19.574 0.636 1.00 2.80 H new ATOM 0 HD21 LEU B 27 -2.454 21.574 -1.432 1.00 5.86 H new ATOM 0 HD22 LEU B 27 -3.615 22.095 -0.189 1.00 5.86 H new ATOM 0 HD23 LEU B 27 -2.018 22.873 -0.297 1.00 5.86 H new ATOM 1929 N THR B 28 0.897 21.275 3.070 1.00 1.67 N ATOM 1930 CA THR B 28 2.343 21.317 2.796 1.00 1.39 C ATOM 1931 C THR B 28 3.101 22.055 3.897 1.00 1.41 C ATOM 1932 O THR B 28 2.511 22.660 4.788 1.00 1.59 O ATOM 1933 CB THR B 28 2.645 22.012 1.455 1.00 1.22 C ATOM 1934 OG1 THR B 28 1.998 23.265 1.399 1.00 1.35 O ATOM 1935 CG2 THR B 28 2.259 21.194 0.231 1.00 1.17 C ATOM 0 H THR B 28 0.580 22.119 3.548 1.00 1.67 H new ATOM 0 HA THR B 28 2.675 20.280 2.754 1.00 1.39 H new ATOM 0 HB THR B 28 3.728 22.132 1.423 1.00 1.22 H new ATOM 0 HG1 THR B 28 2.568 23.907 0.927 1.00 1.35 H new ATOM 0 HG21 THR B 28 2.504 21.753 -0.672 1.00 1.17 H new ATOM 0 HG22 THR B 28 2.808 20.252 0.235 1.00 1.17 H new ATOM 0 HG23 THR B 28 1.188 20.990 0.252 1.00 1.17 H new ATOM 1943 N LEU B 29 4.432 21.999 3.814 1.00 1.25 N ATOM 1944 CA LEU B 29 5.428 22.688 4.651 1.00 1.24 C ATOM 1945 C LEU B 29 6.798 22.673 3.945 1.00 0.98 C ATOM 1946 O LEU B 29 6.927 22.006 2.922 1.00 0.91 O ATOM 1947 CB LEU B 29 5.442 22.113 6.088 1.00 1.39 C ATOM 1948 CG LEU B 29 6.054 20.710 6.318 1.00 1.12 C ATOM 1949 CD1 LEU B 29 5.758 20.274 7.762 1.00 1.39 C ATOM 1950 CD2 LEU B 29 5.538 19.600 5.390 1.00 1.23 C ATOM 0 H LEU B 29 4.882 21.424 3.102 1.00 1.25 H new ATOM 0 HA LEU B 29 5.155 23.736 4.772 1.00 1.24 H new ATOM 0 HB2 LEU B 29 5.981 22.817 6.721 1.00 1.39 H new ATOM 0 HB3 LEU B 29 4.412 22.088 6.445 1.00 1.39 H new ATOM 0 HG LEU B 29 7.116 20.825 6.103 1.00 1.12 H new ATOM 0 HD11 LEU B 29 6.184 19.286 7.938 1.00 1.39 H new ATOM 0 HD12 LEU B 29 6.200 20.989 8.456 1.00 1.39 H new ATOM 0 HD13 LEU B 29 4.680 20.237 7.917 1.00 1.39 H new ATOM 0 HD21 LEU B 29 6.032 18.660 5.637 1.00 1.23 H new ATOM 0 HD22 LEU B 29 4.461 19.489 5.519 1.00 1.23 H new ATOM 0 HD23 LEU B 29 5.754 19.862 4.354 1.00 1.23 H new ATOM 1962 N SER B 30 7.825 23.386 4.427 1.00 1.06 N ATOM 1963 CA SER B 30 9.146 23.359 3.749 1.00 1.07 C ATOM 1964 C SER B 30 10.109 22.289 4.304 1.00 0.85 C ATOM 1965 O SER B 30 9.884 21.731 5.387 1.00 0.80 O ATOM 1966 CB SER B 30 9.829 24.740 3.660 1.00 1.79 C ATOM 1967 OG SER B 30 10.754 24.976 4.711 1.00 2.40 O ATOM 0 H SER B 30 7.780 23.975 5.259 1.00 1.06 H new ATOM 0 HA SER B 30 8.907 23.063 2.727 1.00 1.07 H new ATOM 0 HB2 SER B 30 10.347 24.821 2.704 1.00 1.79 H new ATOM 0 HB3 SER B 30 9.065 25.517 3.676 1.00 1.79 H new ATOM 0 HG SER B 30 11.630 25.200 4.332 1.00 2.40 H new ATOM 1973 N ARG B 31 11.220 22.015 3.591 1.00 0.88 N ATOM 1974 CA ARG B 31 12.145 20.912 3.938 1.00 0.79 C ATOM 1975 C ARG B 31 12.802 21.006 5.328 1.00 0.74 C ATOM 1976 O ARG B 31 13.284 19.985 5.825 1.00 0.82 O ATOM 1977 CB ARG B 31 13.242 20.661 2.886 1.00 1.18 C ATOM 1978 CG ARG B 31 12.819 20.813 1.417 1.00 1.29 C ATOM 1979 CD ARG B 31 13.630 19.921 0.456 1.00 1.39 C ATOM 1980 NE ARG B 31 13.401 18.485 0.716 1.00 1.99 N ATOM 1981 CZ ARG B 31 12.949 17.566 -0.132 1.00 2.34 C ATOM 1982 NH1 ARG B 31 12.768 17.772 -1.414 1.00 2.46 N ATOM 1983 NH2 ARG B 31 12.617 16.373 0.303 1.00 3.36 N ATOM 0 H ARG B 31 11.501 22.545 2.766 1.00 0.88 H new ATOM 0 HA ARG B 31 11.465 20.061 3.958 1.00 0.79 H new ATOM 0 HB2 ARG B 31 14.065 21.349 3.079 1.00 1.18 H new ATOM 0 HB3 ARG B 31 13.629 19.652 3.029 1.00 1.18 H new ATOM 0 HG2 ARG B 31 11.761 20.569 1.323 1.00 1.29 H new ATOM 0 HG3 ARG B 31 12.933 21.855 1.119 1.00 1.29 H new ATOM 0 HD2 ARG B 31 13.356 20.152 -0.573 1.00 1.39 H new ATOM 0 HD3 ARG B 31 14.692 20.145 0.561 1.00 1.39 H new ATOM 0 HE ARG B 31 13.615 18.160 1.659 1.00 1.99 H new ATOM 0 HH11 ARG B 31 12.978 18.685 -1.819 1.00 2.46 H new ATOM 0 HH12 ARG B 31 12.417 17.020 -2.007 1.00 2.46 H new ATOM 0 HH21 ARG B 31 12.705 16.149 1.294 1.00 3.36 H new ATOM 0 HH22 ARG B 31 12.271 15.670 -0.350 1.00 3.36 H new ATOM 1997 N LYS B 32 12.788 22.168 5.998 1.00 0.74 N ATOM 1998 CA LYS B 32 13.157 22.237 7.424 1.00 0.82 C ATOM 1999 C LYS B 32 12.209 21.404 8.310 1.00 0.91 C ATOM 2000 O LYS B 32 12.677 20.625 9.139 1.00 1.09 O ATOM 2001 CB LYS B 32 13.243 23.684 7.926 1.00 1.03 C ATOM 2002 CG LYS B 32 13.958 23.638 9.292 1.00 2.17 C ATOM 2003 CD LYS B 32 13.815 24.928 10.095 1.00 3.01 C ATOM 2004 CE LYS B 32 14.054 24.644 11.590 1.00 4.83 C ATOM 2005 NZ LYS B 32 12.882 23.995 12.234 1.00 6.91 N ATOM 0 H LYS B 32 12.529 23.063 5.584 1.00 0.74 H new ATOM 0 HA LYS B 32 14.152 21.799 7.504 1.00 0.82 H new ATOM 0 HB2 LYS B 32 13.795 24.306 7.221 1.00 1.03 H new ATOM 0 HB3 LYS B 32 12.249 24.119 8.024 1.00 1.03 H new ATOM 0 HG2 LYS B 32 13.557 22.809 9.876 1.00 2.17 H new ATOM 0 HG3 LYS B 32 15.017 23.433 9.133 1.00 2.17 H new ATOM 0 HD2 LYS B 32 14.529 25.670 9.738 1.00 3.01 H new ATOM 0 HD3 LYS B 32 12.820 25.348 9.950 1.00 3.01 H new ATOM 0 HE2 LYS B 32 14.928 24.003 11.701 1.00 4.83 H new ATOM 0 HE3 LYS B 32 14.277 25.579 12.104 1.00 4.83 H new ATOM 0 HZ1 LYS B 32 12.481 24.634 12.950 1.00 6.91 H new ATOM 0 HZ2 LYS B 32 12.161 23.787 11.514 1.00 6.91 H new ATOM 0 HZ3 LYS B 32 13.182 23.110 12.690 1.00 6.91 H new ATOM 2019 N GLU B 33 10.894 21.511 8.117 1.00 0.89 N ATOM 2020 CA GLU B 33 9.971 20.936 9.093 1.00 0.87 C ATOM 2021 C GLU B 33 9.822 19.419 8.958 1.00 0.84 C ATOM 2022 O GLU B 33 9.454 18.774 9.929 1.00 0.93 O ATOM 2023 CB GLU B 33 8.651 21.721 9.164 1.00 0.87 C ATOM 2024 CG GLU B 33 8.808 23.189 9.615 1.00 1.61 C ATOM 2025 CD GLU B 33 9.818 23.389 10.752 1.00 2.57 C ATOM 2026 OE1 GLU B 33 11.024 23.454 10.429 1.00 4.13 O ATOM 2027 OE2 GLU B 33 9.432 23.473 11.934 1.00 2.66 O ATOM 0 H GLU B 33 10.456 21.975 7.321 1.00 0.89 H new ATOM 0 HA GLU B 33 10.421 21.057 10.078 1.00 0.87 H new ATOM 0 HB2 GLU B 33 8.178 21.704 8.182 1.00 0.87 H new ATOM 0 HB3 GLU B 33 7.976 21.212 9.852 1.00 0.87 H new ATOM 0 HG2 GLU B 33 9.116 23.790 8.759 1.00 1.61 H new ATOM 0 HG3 GLU B 33 7.837 23.565 9.936 1.00 1.61 H new ATOM 2034 N LEU B 34 10.243 18.806 7.843 1.00 0.87 N ATOM 2035 CA LEU B 34 10.453 17.349 7.767 1.00 0.89 C ATOM 2036 C LEU B 34 11.640 16.881 8.632 1.00 0.82 C ATOM 2037 O LEU B 34 11.518 15.909 9.376 1.00 0.79 O ATOM 2038 CB LEU B 34 10.613 16.988 6.284 1.00 0.96 C ATOM 2039 CG LEU B 34 10.921 15.513 5.965 1.00 1.06 C ATOM 2040 CD1 LEU B 34 9.842 14.579 6.513 1.00 1.33 C ATOM 2041 CD2 LEU B 34 11.003 15.319 4.443 1.00 1.16 C ATOM 0 H LEU B 34 10.447 19.299 6.974 1.00 0.87 H new ATOM 0 HA LEU B 34 9.594 16.821 8.182 1.00 0.89 H new ATOM 0 HB2 LEU B 34 9.696 17.265 5.765 1.00 0.96 H new ATOM 0 HB3 LEU B 34 11.412 17.601 5.868 1.00 0.96 H new ATOM 0 HG LEU B 34 11.871 15.267 6.439 1.00 1.06 H new ATOM 0 HD11 LEU B 34 10.095 13.547 6.268 1.00 1.33 H new ATOM 0 HD12 LEU B 34 9.780 14.690 7.596 1.00 1.33 H new ATOM 0 HD13 LEU B 34 8.880 14.833 6.067 1.00 1.33 H new ATOM 0 HD21 LEU B 34 11.221 14.274 4.221 1.00 1.16 H new ATOM 0 HD22 LEU B 34 10.051 15.596 3.989 1.00 1.16 H new ATOM 0 HD23 LEU B 34 11.795 15.949 4.038 1.00 1.16 H new ATOM 2053 N LYS B 35 12.767 17.601 8.594 1.00 0.81 N ATOM 2054 CA LYS B 35 13.882 17.415 9.533 1.00 0.76 C ATOM 2055 C LYS B 35 13.440 17.603 11.002 1.00 0.67 C ATOM 2056 O LYS B 35 13.776 16.771 11.845 1.00 0.79 O ATOM 2057 CB LYS B 35 15.039 18.342 9.074 1.00 0.84 C ATOM 2058 CG LYS B 35 16.141 18.581 10.123 1.00 1.33 C ATOM 2059 CD LYS B 35 17.321 19.420 9.587 1.00 1.37 C ATOM 2060 CE LYS B 35 18.166 18.653 8.557 1.00 2.28 C ATOM 2061 NZ LYS B 35 19.427 19.361 8.190 1.00 3.08 N ATOM 0 H LYS B 35 12.933 18.335 7.906 1.00 0.81 H new ATOM 0 HA LYS B 35 14.246 16.388 9.514 1.00 0.76 H new ATOM 0 HB2 LYS B 35 15.495 17.913 8.182 1.00 0.84 H new ATOM 0 HB3 LYS B 35 14.619 19.305 8.785 1.00 0.84 H new ATOM 0 HG2 LYS B 35 15.708 19.086 10.987 1.00 1.33 H new ATOM 0 HG3 LYS B 35 16.517 17.619 10.471 1.00 1.33 H new ATOM 0 HD2 LYS B 35 16.937 20.332 9.131 1.00 1.37 H new ATOM 0 HD3 LYS B 35 17.955 19.723 10.420 1.00 1.37 H new ATOM 0 HE2 LYS B 35 18.412 17.670 8.958 1.00 2.28 H new ATOM 0 HE3 LYS B 35 17.572 18.491 7.657 1.00 2.28 H new ATOM 0 HZ1 LYS B 35 20.080 18.693 7.733 1.00 3.08 H new ATOM 0 HZ2 LYS B 35 19.210 20.138 7.533 1.00 3.08 H new ATOM 0 HZ3 LYS B 35 19.871 19.747 9.048 1.00 3.08 H new ATOM 2075 N GLU B 36 12.647 18.641 11.293 1.00 0.60 N ATOM 2076 CA GLU B 36 12.115 18.948 12.627 1.00 0.65 C ATOM 2077 C GLU B 36 11.167 17.838 13.112 1.00 0.61 C ATOM 2078 O GLU B 36 11.260 17.377 14.251 1.00 0.80 O ATOM 2079 CB GLU B 36 11.366 20.293 12.541 1.00 0.84 C ATOM 2080 CG GLU B 36 11.070 20.936 13.899 1.00 1.24 C ATOM 2081 CD GLU B 36 12.236 21.715 14.511 1.00 1.92 C ATOM 2082 OE1 GLU B 36 13.301 21.857 13.874 1.00 2.91 O ATOM 2083 OE2 GLU B 36 12.037 22.217 15.638 1.00 2.90 O ATOM 0 H GLU B 36 12.348 19.312 10.585 1.00 0.60 H new ATOM 0 HA GLU B 36 12.933 19.013 13.344 1.00 0.65 H new ATOM 0 HB2 GLU B 36 11.957 20.988 11.944 1.00 0.84 H new ATOM 0 HB3 GLU B 36 10.425 20.139 12.012 1.00 0.84 H new ATOM 0 HG2 GLU B 36 10.220 21.610 13.788 1.00 1.24 H new ATOM 0 HG3 GLU B 36 10.768 20.155 14.597 1.00 1.24 H new ATOM 2090 N LEU B 37 10.265 17.392 12.227 1.00 0.54 N ATOM 2091 CA LEU B 37 9.246 16.386 12.508 1.00 0.57 C ATOM 2092 C LEU B 37 9.884 15.046 12.867 1.00 0.60 C ATOM 2093 O LEU B 37 9.600 14.493 13.930 1.00 0.65 O ATOM 2094 CB LEU B 37 8.293 16.307 11.288 1.00 0.60 C ATOM 2095 CG LEU B 37 7.251 15.171 11.257 1.00 0.73 C ATOM 2096 CD1 LEU B 37 6.265 15.206 12.426 1.00 1.22 C ATOM 2097 CD2 LEU B 37 6.456 15.259 9.945 1.00 1.05 C ATOM 0 H LEU B 37 10.228 17.736 11.267 1.00 0.54 H new ATOM 0 HA LEU B 37 8.658 16.667 13.382 1.00 0.57 H new ATOM 0 HB2 LEU B 37 7.757 17.254 11.221 1.00 0.60 H new ATOM 0 HB3 LEU B 37 8.906 16.223 10.390 1.00 0.60 H new ATOM 0 HG LEU B 37 7.807 14.237 11.337 1.00 0.73 H new ATOM 0 HD11 LEU B 37 5.564 14.377 12.335 1.00 1.22 H new ATOM 0 HD12 LEU B 37 6.811 15.118 13.365 1.00 1.22 H new ATOM 0 HD13 LEU B 37 5.717 16.148 12.412 1.00 1.22 H new ATOM 0 HD21 LEU B 37 5.716 14.459 9.914 1.00 1.05 H new ATOM 0 HD22 LEU B 37 5.951 16.223 9.890 1.00 1.05 H new ATOM 0 HD23 LEU B 37 7.137 15.157 9.100 1.00 1.05 H new ATOM 2109 N ILE B 38 10.763 14.525 12.004 1.00 0.60 N ATOM 2110 CA ILE B 38 11.343 13.184 12.181 1.00 0.72 C ATOM 2111 C ILE B 38 12.229 13.102 13.423 1.00 0.76 C ATOM 2112 O ILE B 38 12.115 12.133 14.161 1.00 1.09 O ATOM 2113 CB ILE B 38 12.044 12.736 10.877 1.00 0.82 C ATOM 2114 CG1 ILE B 38 10.944 12.534 9.808 1.00 1.27 C ATOM 2115 CG2 ILE B 38 12.875 11.453 11.084 1.00 1.31 C ATOM 2116 CD1 ILE B 38 11.461 12.089 8.441 1.00 1.67 C ATOM 0 H ILE B 38 11.091 15.013 11.171 1.00 0.60 H new ATOM 0 HA ILE B 38 10.541 12.471 12.370 1.00 0.72 H new ATOM 0 HB ILE B 38 12.753 13.498 10.553 1.00 0.82 H new ATOM 0 HG12 ILE B 38 10.233 11.792 10.172 1.00 1.27 H new ATOM 0 HG13 ILE B 38 10.396 13.469 9.688 1.00 1.27 H new ATOM 0 HG21 ILE B 38 13.351 11.172 10.144 1.00 1.31 H new ATOM 0 HG22 ILE B 38 13.640 11.633 11.839 1.00 1.31 H new ATOM 0 HG23 ILE B 38 12.222 10.646 11.415 1.00 1.31 H new ATOM 0 HD11 ILE B 38 10.622 11.972 7.755 1.00 1.67 H new ATOM 0 HD12 ILE B 38 12.148 12.840 8.050 1.00 1.67 H new ATOM 0 HD13 ILE B 38 11.983 11.137 8.541 1.00 1.67 H new ATOM 2128 N LYS B 39 13.060 14.106 13.713 1.00 0.71 N ATOM 2129 CA LYS B 39 13.923 14.093 14.905 1.00 0.86 C ATOM 2130 C LYS B 39 13.197 14.347 16.238 1.00 0.97 C ATOM 2131 O LYS B 39 13.779 14.121 17.301 1.00 1.17 O ATOM 2132 CB LYS B 39 15.110 15.058 14.699 1.00 1.01 C ATOM 2133 CG LYS B 39 16.413 14.277 14.492 1.00 1.24 C ATOM 2134 CD LYS B 39 16.899 13.641 15.804 1.00 1.77 C ATOM 2135 CE LYS B 39 17.939 12.568 15.495 1.00 2.23 C ATOM 2136 NZ LYS B 39 18.511 11.999 16.736 1.00 2.90 N ATOM 0 H LYS B 39 13.156 14.943 13.138 1.00 0.71 H new ATOM 0 HA LYS B 39 14.292 13.072 15.004 1.00 0.86 H new ATOM 0 HB2 LYS B 39 14.921 15.696 13.835 1.00 1.01 H new ATOM 0 HB3 LYS B 39 15.207 15.714 15.564 1.00 1.01 H new ATOM 0 HG2 LYS B 39 16.258 13.499 13.744 1.00 1.24 H new ATOM 0 HG3 LYS B 39 17.182 14.945 14.103 1.00 1.24 H new ATOM 0 HD2 LYS B 39 17.330 14.404 16.453 1.00 1.77 H new ATOM 0 HD3 LYS B 39 16.058 13.203 16.342 1.00 1.77 H new ATOM 0 HE2 LYS B 39 17.481 11.774 14.906 1.00 2.23 H new ATOM 0 HE3 LYS B 39 18.736 12.996 14.888 1.00 2.23 H new ATOM 0 HZ1 LYS B 39 18.984 11.099 16.519 1.00 2.90 H new ATOM 0 HZ2 LYS B 39 19.201 12.665 17.137 1.00 2.90 H new ATOM 0 HZ3 LYS B 39 17.750 11.833 17.425 1.00 2.90 H new ATOM 2150 N LYS B 40 11.943 14.807 16.209 1.00 0.94 N ATOM 2151 CA LYS B 40 11.084 14.925 17.393 1.00 1.12 C ATOM 2152 C LYS B 40 10.203 13.690 17.600 1.00 1.21 C ATOM 2153 O LYS B 40 10.105 13.202 18.723 1.00 1.48 O ATOM 2154 CB LYS B 40 10.252 16.193 17.276 1.00 1.19 C ATOM 2155 CG LYS B 40 11.168 17.397 17.524 1.00 1.45 C ATOM 2156 CD LYS B 40 10.307 18.638 17.424 1.00 1.67 C ATOM 2157 CE LYS B 40 11.155 19.904 17.511 1.00 1.83 C ATOM 2158 NZ LYS B 40 10.340 21.125 17.309 1.00 3.10 N ATOM 0 H LYS B 40 11.488 15.113 15.349 1.00 0.94 H new ATOM 0 HA LYS B 40 11.718 14.988 18.277 1.00 1.12 H new ATOM 0 HB2 LYS B 40 9.798 16.259 16.287 1.00 1.19 H new ATOM 0 HB3 LYS B 40 9.438 16.180 18.000 1.00 1.19 H new ATOM 0 HG2 LYS B 40 11.635 17.330 18.507 1.00 1.45 H new ATOM 0 HG3 LYS B 40 11.973 17.426 16.790 1.00 1.45 H new ATOM 0 HD2 LYS B 40 9.758 18.628 16.482 1.00 1.67 H new ATOM 0 HD3 LYS B 40 9.567 18.636 18.224 1.00 1.67 H new ATOM 0 HE2 LYS B 40 11.643 19.949 18.485 1.00 1.83 H new ATOM 0 HE3 LYS B 40 11.945 19.865 16.761 1.00 1.83 H new ATOM 0 HZ1 LYS B 40 10.819 21.754 16.634 1.00 3.10 H new ATOM 0 HZ2 LYS B 40 9.406 20.861 16.934 1.00 3.10 H new ATOM 0 HZ3 LYS B 40 10.222 21.618 18.217 1.00 3.10 H new ATOM 2172 N GLU B 41 9.601 13.170 16.525 1.00 1.09 N ATOM 2173 CA GLU B 41 8.844 11.913 16.539 1.00 1.26 C ATOM 2174 C GLU B 41 9.768 10.714 16.826 1.00 1.37 C ATOM 2175 O GLU B 41 9.386 9.813 17.569 1.00 1.75 O ATOM 2176 CB GLU B 41 8.138 11.685 15.191 1.00 1.54 C ATOM 2177 CG GLU B 41 7.106 12.751 14.793 1.00 1.66 C ATOM 2178 CD GLU B 41 5.737 12.602 15.443 1.00 3.26 C ATOM 2179 OE1 GLU B 41 4.980 11.695 15.037 1.00 4.06 O ATOM 2180 OE2 GLU B 41 5.360 13.498 16.229 1.00 4.47 O ATOM 0 H GLU B 41 9.626 13.616 15.608 1.00 1.09 H new ATOM 0 HA GLU B 41 8.100 11.992 17.331 1.00 1.26 H new ATOM 0 HB2 GLU B 41 8.896 11.629 14.409 1.00 1.54 H new ATOM 0 HB3 GLU B 41 7.640 10.716 15.222 1.00 1.54 H new ATOM 0 HG2 GLU B 41 7.506 13.733 15.046 1.00 1.66 H new ATOM 0 HG3 GLU B 41 6.981 12.727 13.710 1.00 1.66 H new ATOM 2187 N LEU B 42 10.985 10.701 16.265 1.00 1.23 N ATOM 2188 CA LEU B 42 12.013 9.683 16.499 1.00 1.42 C ATOM 2189 C LEU B 42 13.313 10.286 17.041 1.00 1.41 C ATOM 2190 O LEU B 42 14.104 10.941 16.359 1.00 1.52 O ATOM 2191 CB LEU B 42 12.218 8.839 15.226 1.00 1.53 C ATOM 2192 CG LEU B 42 11.271 7.624 15.223 1.00 1.51 C ATOM 2193 CD1 LEU B 42 11.107 7.079 13.797 1.00 1.48 C ATOM 2194 CD2 LEU B 42 11.780 6.506 16.149 1.00 2.51 C ATOM 0 H LEU B 42 11.289 11.425 15.614 1.00 1.23 H new ATOM 0 HA LEU B 42 11.665 9.012 17.284 1.00 1.42 H new ATOM 0 HB2 LEU B 42 12.035 9.452 14.343 1.00 1.53 H new ATOM 0 HB3 LEU B 42 13.253 8.501 15.170 1.00 1.53 H new ATOM 0 HG LEU B 42 10.305 7.962 15.597 1.00 1.51 H new ATOM 0 HD11 LEU B 42 10.435 6.221 13.811 1.00 1.48 H new ATOM 0 HD12 LEU B 42 10.690 7.856 13.156 1.00 1.48 H new ATOM 0 HD13 LEU B 42 12.079 6.773 13.410 1.00 1.48 H new ATOM 0 HD21 LEU B 42 11.086 5.666 16.121 1.00 2.51 H new ATOM 0 HD22 LEU B 42 12.763 6.176 15.814 1.00 2.51 H new ATOM 0 HD23 LEU B 42 11.852 6.883 17.169 1.00 2.51 H new ATOM 2206 N CYS B 43 13.530 9.987 18.316 1.00 1.77 N ATOM 2207 CA CYS B 43 14.634 10.437 19.158 1.00 2.03 C ATOM 2208 C CYS B 43 16.037 10.051 18.672 1.00 2.52 C ATOM 2209 O CYS B 43 16.943 10.885 18.770 1.00 4.00 O ATOM 2210 CB CYS B 43 14.326 9.892 20.566 1.00 2.01 C ATOM 2211 SG CYS B 43 14.089 8.086 20.532 1.00 2.65 S ATOM 0 H CYS B 43 12.891 9.378 18.828 1.00 1.77 H new ATOM 0 HA CYS B 43 14.684 11.526 19.134 1.00 2.03 H new ATOM 0 HB2 CYS B 43 15.143 10.142 21.243 1.00 2.01 H new ATOM 0 HB3 CYS B 43 13.429 10.372 20.957 1.00 2.01 H new ATOM 0 HG CYS B 43 12.935 7.810 20.001 1.00 2.65 H new ATOM 2217 N LEU B 44 16.211 8.825 18.160 1.00 2.00 N ATOM 2218 CA LEU B 44 17.487 8.094 18.104 1.00 2.61 C ATOM 2219 C LEU B 44 18.738 8.941 17.832 1.00 2.83 C ATOM 2220 O LEU B 44 19.031 9.319 16.696 1.00 3.39 O ATOM 2221 CB LEU B 44 17.398 6.887 17.149 1.00 3.06 C ATOM 2222 CG LEU B 44 16.965 7.204 15.701 1.00 2.74 C ATOM 2223 CD1 LEU B 44 17.946 6.682 14.641 1.00 3.86 C ATOM 2224 CD2 LEU B 44 15.545 6.691 15.446 1.00 3.32 C ATOM 0 H LEU B 44 15.438 8.294 17.758 1.00 2.00 H new ATOM 0 HA LEU B 44 17.635 7.737 19.123 1.00 2.61 H new ATOM 0 HB2 LEU B 44 18.373 6.400 17.118 1.00 3.06 H new ATOM 0 HB3 LEU B 44 16.695 6.167 17.569 1.00 3.06 H new ATOM 0 HG LEU B 44 16.975 8.289 15.601 1.00 2.74 H new ATOM 0 HD11 LEU B 44 17.579 6.940 13.647 1.00 3.86 H new ATOM 0 HD12 LEU B 44 18.925 7.136 14.796 1.00 3.86 H new ATOM 0 HD13 LEU B 44 18.031 5.599 14.726 1.00 3.86 H new ATOM 0 HD21 LEU B 44 15.253 6.922 14.421 1.00 3.32 H new ATOM 0 HD22 LEU B 44 15.515 5.612 15.598 1.00 3.32 H new ATOM 0 HD23 LEU B 44 14.854 7.174 16.137 1.00 3.32 H new ATOM 2236 N GLY B 45 19.457 9.280 18.900 1.00 3.06 N ATOM 2237 CA GLY B 45 20.793 9.916 18.868 1.00 3.38 C ATOM 2238 C GLY B 45 21.930 8.948 19.222 1.00 3.05 C ATOM 2239 O GLY B 45 23.057 9.127 18.778 1.00 3.51 O ATOM 0 H GLY B 45 19.123 9.118 19.850 1.00 3.06 H new ATOM 0 HA2 GLY B 45 20.970 10.326 17.874 1.00 3.38 H new ATOM 0 HA3 GLY B 45 20.807 10.754 19.565 1.00 3.38 H new ATOM 2242 N GLU B 46 21.601 7.942 20.020 1.00 2.92 N ATOM 2243 CA GLU B 46 22.430 6.836 20.508 1.00 3.13 C ATOM 2244 C GLU B 46 22.642 5.689 19.501 1.00 2.91 C ATOM 2245 O GLU B 46 23.657 5.002 19.557 1.00 3.67 O ATOM 2246 CB GLU B 46 21.781 6.315 21.805 1.00 3.69 C ATOM 2247 CG GLU B 46 20.440 5.575 21.629 1.00 3.69 C ATOM 2248 CD GLU B 46 19.408 6.347 20.801 1.00 3.63 C ATOM 2249 OE1 GLU B 46 19.070 7.496 21.164 1.00 4.02 O ATOM 2250 OE2 GLU B 46 19.120 5.912 19.669 1.00 4.18 O ATOM 0 H GLU B 46 20.650 7.868 20.382 1.00 2.92 H new ATOM 0 HA GLU B 46 23.434 7.224 20.679 1.00 3.13 H new ATOM 0 HB2 GLU B 46 22.484 5.643 22.297 1.00 3.69 H new ATOM 0 HB3 GLU B 46 21.624 7.160 22.476 1.00 3.69 H new ATOM 0 HG2 GLU B 46 20.627 4.613 21.152 1.00 3.69 H new ATOM 0 HG3 GLU B 46 20.019 5.367 22.613 1.00 3.69 H new ATOM 2257 N MET B 47 21.677 5.452 18.602 1.00 2.36 N ATOM 2258 CA MET B 47 21.668 4.332 17.658 1.00 2.46 C ATOM 2259 C MET B 47 22.355 4.710 16.334 1.00 2.01 C ATOM 2260 O MET B 47 23.582 4.686 16.248 1.00 2.41 O ATOM 2261 CB MET B 47 20.216 3.856 17.501 1.00 2.96 C ATOM 2262 CG MET B 47 20.077 2.540 16.720 1.00 3.72 C ATOM 2263 SD MET B 47 18.660 2.458 15.588 1.00 3.88 S ATOM 2264 CE MET B 47 17.399 3.363 16.525 1.00 2.82 C ATOM 0 H MET B 47 20.858 6.053 18.511 1.00 2.36 H new ATOM 0 HA MET B 47 22.256 3.496 18.038 1.00 2.46 H new ATOM 0 HB2 MET B 47 19.776 3.729 18.490 1.00 2.96 H new ATOM 0 HB3 MET B 47 19.642 4.631 16.994 1.00 2.96 H new ATOM 0 HG2 MET B 47 20.990 2.379 16.146 1.00 3.72 H new ATOM 0 HG3 MET B 47 20.000 1.719 17.433 1.00 3.72 H new ATOM 0 HE1 MET B 47 16.408 3.050 16.197 1.00 2.82 H new ATOM 0 HE2 MET B 47 17.514 3.151 17.588 1.00 2.82 H new ATOM 0 HE3 MET B 47 17.516 4.433 16.354 1.00 2.82 H new ATOM 2274 N LYS B 48 21.601 4.949 15.250 1.00 1.77 N ATOM 2275 CA LYS B 48 22.129 5.328 13.942 1.00 1.74 C ATOM 2276 C LYS B 48 22.190 6.843 13.710 1.00 2.04 C ATOM 2277 O LYS B 48 21.189 7.524 13.509 1.00 2.58 O ATOM 2278 CB LYS B 48 21.363 4.598 12.829 1.00 2.01 C ATOM 2279 CG LYS B 48 21.626 3.094 12.689 1.00 2.43 C ATOM 2280 CD LYS B 48 23.119 2.731 12.647 1.00 3.41 C ATOM 2281 CE LYS B 48 23.598 2.506 14.080 1.00 4.70 C ATOM 2282 NZ LYS B 48 24.954 3.049 14.347 1.00 6.26 N ATOM 0 H LYS B 48 20.583 4.881 15.265 1.00 1.77 H new ATOM 0 HA LYS B 48 23.170 5.007 13.917 1.00 1.74 H new ATOM 0 HB2 LYS B 48 20.296 4.743 12.998 1.00 2.01 H new ATOM 0 HB3 LYS B 48 21.604 5.076 11.879 1.00 2.01 H new ATOM 0 HG2 LYS B 48 21.157 2.573 13.524 1.00 2.43 H new ATOM 0 HG3 LYS B 48 21.147 2.733 11.779 1.00 2.43 H new ATOM 0 HD2 LYS B 48 23.275 1.833 12.049 1.00 3.41 H new ATOM 0 HD3 LYS B 48 23.691 3.531 12.176 1.00 3.41 H new ATOM 0 HE2 LYS B 48 22.889 2.968 14.768 1.00 4.70 H new ATOM 0 HE3 LYS B 48 23.596 1.437 14.291 1.00 4.70 H new ATOM 0 HZ1 LYS B 48 24.988 3.440 15.310 1.00 6.26 H new ATOM 0 HZ2 LYS B 48 25.657 2.288 14.258 1.00 6.26 H new ATOM 0 HZ3 LYS B 48 25.168 3.800 13.661 1.00 6.26 H new ATOM 2296 N GLU B 49 23.430 7.295 13.649 1.00 2.28 N ATOM 2297 CA GLU B 49 23.923 8.618 13.267 1.00 2.67 C ATOM 2298 C GLU B 49 23.961 8.792 11.734 1.00 2.17 C ATOM 2299 O GLU B 49 23.142 9.498 11.164 1.00 2.95 O ATOM 2300 CB GLU B 49 25.315 8.874 13.908 1.00 3.53 C ATOM 2301 CG GLU B 49 26.165 7.663 14.366 1.00 4.24 C ATOM 2302 CD GLU B 49 26.275 6.531 13.342 1.00 5.07 C ATOM 2303 OE1 GLU B 49 26.944 6.711 12.303 1.00 5.62 O ATOM 2304 OE2 GLU B 49 25.540 5.530 13.506 1.00 5.96 O ATOM 0 H GLU B 49 24.206 6.680 13.892 1.00 2.28 H new ATOM 0 HA GLU B 49 23.227 9.366 13.648 1.00 2.67 H new ATOM 0 HB2 GLU B 49 25.909 9.440 13.190 1.00 3.53 H new ATOM 0 HB3 GLU B 49 25.165 9.517 14.775 1.00 3.53 H new ATOM 0 HG2 GLU B 49 27.168 8.013 14.609 1.00 4.24 H new ATOM 0 HG3 GLU B 49 25.736 7.263 15.284 1.00 4.24 H new ATOM 2311 N SER B 50 24.909 8.159 11.046 1.00 2.01 N ATOM 2312 CA SER B 50 25.192 8.379 9.619 1.00 1.92 C ATOM 2313 C SER B 50 23.989 8.131 8.697 1.00 2.02 C ATOM 2314 O SER B 50 23.749 8.922 7.792 1.00 2.53 O ATOM 2315 CB SER B 50 26.405 7.523 9.205 1.00 2.32 C ATOM 2316 OG SER B 50 26.409 6.231 9.809 1.00 3.45 O ATOM 0 H SER B 50 25.519 7.461 11.471 1.00 2.01 H new ATOM 0 HA SER B 50 25.422 9.437 9.496 1.00 1.92 H new ATOM 0 HB2 SER B 50 26.410 7.411 8.121 1.00 2.32 H new ATOM 0 HB3 SER B 50 27.322 8.047 9.476 1.00 2.32 H new ATOM 0 HG SER B 50 26.917 6.263 10.646 1.00 3.45 H new ATOM 2322 N SER B 51 23.180 7.101 8.962 1.00 2.83 N ATOM 2323 CA SER B 51 21.953 6.822 8.200 1.00 3.32 C ATOM 2324 C SER B 51 20.854 7.898 8.296 1.00 2.97 C ATOM 2325 O SER B 51 19.868 7.769 7.575 1.00 3.50 O ATOM 2326 CB SER B 51 21.335 5.484 8.651 1.00 4.20 C ATOM 2327 OG SER B 51 22.210 4.375 8.512 1.00 4.38 O ATOM 0 H SER B 51 23.356 6.433 9.713 1.00 2.83 H new ATOM 0 HA SER B 51 22.286 6.798 7.162 1.00 3.32 H new ATOM 0 HB2 SER B 51 21.032 5.568 9.695 1.00 4.20 H new ATOM 0 HB3 SER B 51 20.431 5.297 8.071 1.00 4.20 H new ATOM 0 HG SER B 51 21.706 3.600 8.187 1.00 4.38 H new ATOM 2333 N ILE B 52 20.953 8.921 9.165 1.00 2.39 N ATOM 2334 CA ILE B 52 20.050 10.089 9.084 1.00 2.12 C ATOM 2335 C ILE B 52 20.624 11.279 8.314 1.00 1.41 C ATOM 2336 O ILE B 52 19.835 11.947 7.647 1.00 1.26 O ATOM 2337 CB ILE B 52 19.500 10.569 10.452 1.00 2.60 C ATOM 2338 CG1 ILE B 52 20.552 11.029 11.483 1.00 2.62 C ATOM 2339 CG2 ILE B 52 18.574 9.513 11.072 1.00 3.47 C ATOM 2340 CD1 ILE B 52 20.005 12.095 12.442 1.00 2.82 C ATOM 0 H ILE B 52 21.637 8.965 9.921 1.00 2.39 H new ATOM 0 HA ILE B 52 19.212 9.694 8.509 1.00 2.12 H new ATOM 0 HB ILE B 52 18.941 11.472 10.207 1.00 2.60 H new ATOM 0 HG12 ILE B 52 20.894 10.168 12.058 1.00 2.62 H new ATOM 0 HG13 ILE B 52 21.421 11.427 10.959 1.00 2.62 H new ATOM 0 HG21 ILE B 52 18.201 9.874 12.031 1.00 3.47 H new ATOM 0 HG22 ILE B 52 17.734 9.328 10.403 1.00 3.47 H new ATOM 0 HG23 ILE B 52 19.128 8.587 11.223 1.00 3.47 H new ATOM 0 HD11 ILE B 52 20.784 12.384 13.147 1.00 2.82 H new ATOM 0 HD12 ILE B 52 19.688 12.969 11.872 1.00 2.82 H new ATOM 0 HD13 ILE B 52 19.153 11.690 12.989 1.00 2.82 H new ATOM 2352 N ASP B 53 21.919 11.603 8.436 1.00 1.22 N ATOM 2353 CA ASP B 53 22.416 12.909 7.975 1.00 1.06 C ATOM 2354 C ASP B 53 22.775 12.939 6.480 1.00 1.09 C ATOM 2355 O ASP B 53 22.774 14.014 5.890 1.00 1.23 O ATOM 2356 CB ASP B 53 23.506 13.502 8.886 1.00 1.43 C ATOM 2357 CG ASP B 53 23.540 15.050 8.831 1.00 1.97 C ATOM 2358 OD1 ASP B 53 22.456 15.674 8.984 1.00 2.79 O ATOM 2359 OD2 ASP B 53 24.648 15.613 8.706 1.00 2.65 O ATOM 0 H ASP B 53 22.629 10.994 8.841 1.00 1.22 H new ATOM 0 HA ASP B 53 21.568 13.587 8.069 1.00 1.06 H new ATOM 0 HB2 ASP B 53 23.332 13.181 9.913 1.00 1.43 H new ATOM 0 HB3 ASP B 53 24.478 13.109 8.589 1.00 1.43 H new ATOM 2364 N ASP B 54 22.961 11.779 5.836 1.00 1.39 N ATOM 2365 CA ASP B 54 22.892 11.667 4.365 1.00 1.76 C ATOM 2366 C ASP B 54 21.543 12.210 3.857 1.00 1.46 C ATOM 2367 O ASP B 54 21.453 13.106 3.010 1.00 1.54 O ATOM 2368 CB ASP B 54 23.038 10.183 3.966 1.00 2.47 C ATOM 2369 CG ASP B 54 23.175 10.007 2.443 1.00 3.10 C ATOM 2370 OD1 ASP B 54 22.147 10.135 1.736 1.00 3.83 O ATOM 2371 OD2 ASP B 54 24.313 9.730 2.001 1.00 3.62 O ATOM 0 H ASP B 54 23.162 10.898 6.310 1.00 1.39 H new ATOM 0 HA ASP B 54 23.697 12.251 3.918 1.00 1.76 H new ATOM 0 HB2 ASP B 54 23.912 9.759 4.460 1.00 2.47 H new ATOM 0 HB3 ASP B 54 22.170 9.625 4.319 1.00 2.47 H new ATOM 2376 N LEU B 55 20.472 11.687 4.462 1.00 1.27 N ATOM 2377 CA LEU B 55 19.089 11.917 4.071 1.00 1.19 C ATOM 2378 C LEU B 55 18.697 13.357 4.422 1.00 0.98 C ATOM 2379 O LEU B 55 18.152 14.077 3.581 1.00 1.03 O ATOM 2380 CB LEU B 55 18.188 10.874 4.766 1.00 1.22 C ATOM 2381 CG LEU B 55 18.697 9.414 4.799 1.00 1.72 C ATOM 2382 CD1 LEU B 55 17.585 8.527 5.379 1.00 1.70 C ATOM 2383 CD2 LEU B 55 19.129 8.885 3.429 1.00 2.12 C ATOM 0 H LEU B 55 20.554 11.068 5.269 1.00 1.27 H new ATOM 0 HA LEU B 55 18.963 11.797 2.995 1.00 1.19 H new ATOM 0 HB2 LEU B 55 18.025 11.199 5.794 1.00 1.22 H new ATOM 0 HB3 LEU B 55 17.217 10.883 4.271 1.00 1.22 H new ATOM 0 HG LEU B 55 19.590 9.390 5.423 1.00 1.72 H new ATOM 0 HD11 LEU B 55 17.925 7.492 5.411 1.00 1.70 H new ATOM 0 HD12 LEU B 55 17.343 8.860 6.388 1.00 1.70 H new ATOM 0 HD13 LEU B 55 16.697 8.598 4.750 1.00 1.70 H new ATOM 0 HD21 LEU B 55 19.474 7.856 3.529 1.00 2.12 H new ATOM 0 HD22 LEU B 55 18.283 8.919 2.742 1.00 2.12 H new ATOM 0 HD23 LEU B 55 19.938 9.503 3.039 1.00 2.12 H new ATOM 2395 N MET B 56 19.057 13.819 5.625 1.00 0.87 N ATOM 2396 CA MET B 56 18.940 15.226 6.021 1.00 0.88 C ATOM 2397 C MET B 56 19.706 16.137 5.071 1.00 1.16 C ATOM 2398 O MET B 56 19.143 17.149 4.667 1.00 1.41 O ATOM 2399 CB MET B 56 19.473 15.475 7.434 1.00 0.99 C ATOM 2400 CG MET B 56 18.656 14.877 8.564 1.00 1.13 C ATOM 2401 SD MET B 56 16.946 15.442 8.621 1.00 1.49 S ATOM 2402 CE MET B 56 16.267 13.884 9.181 1.00 1.92 C ATOM 0 H MET B 56 19.441 13.221 6.357 1.00 0.87 H new ATOM 0 HA MET B 56 17.874 15.453 5.987 1.00 0.88 H new ATOM 0 HB2 MET B 56 20.486 15.078 7.495 1.00 0.99 H new ATOM 0 HB3 MET B 56 19.542 16.551 7.591 1.00 0.99 H new ATOM 0 HG2 MET B 56 18.665 13.791 8.468 1.00 1.13 H new ATOM 0 HG3 MET B 56 19.138 15.117 9.512 1.00 1.13 H new ATOM 0 HE1 MET B 56 15.179 13.945 9.194 1.00 1.92 H new ATOM 0 HE2 MET B 56 16.578 13.088 8.505 1.00 1.92 H new ATOM 0 HE3 MET B 56 16.630 13.669 10.186 1.00 1.92 H new ATOM 2412 N LYS B 57 20.934 15.811 4.656 1.00 1.24 N ATOM 2413 CA LYS B 57 21.669 16.634 3.691 1.00 1.49 C ATOM 2414 C LYS B 57 21.130 16.527 2.252 1.00 1.73 C ATOM 2415 O LYS B 57 21.383 17.376 1.397 1.00 2.13 O ATOM 2416 CB LYS B 57 23.195 16.446 3.826 1.00 1.46 C ATOM 2417 CG LYS B 57 24.036 17.560 3.160 1.00 1.70 C ATOM 2418 CD LYS B 57 23.455 18.960 3.420 1.00 2.27 C ATOM 2419 CE LYS B 57 24.361 20.140 3.055 1.00 3.70 C ATOM 2420 NZ LYS B 57 23.653 21.434 3.265 1.00 4.98 N ATOM 0 H LYS B 57 21.440 14.984 4.973 1.00 1.24 H new ATOM 0 HA LYS B 57 21.479 17.675 3.952 1.00 1.49 H new ATOM 0 HB2 LYS B 57 23.451 16.398 4.884 1.00 1.46 H new ATOM 0 HB3 LYS B 57 23.471 15.487 3.387 1.00 1.46 H new ATOM 0 HG2 LYS B 57 25.058 17.517 3.537 1.00 1.70 H new ATOM 0 HG3 LYS B 57 24.085 17.383 2.086 1.00 1.70 H new ATOM 0 HD2 LYS B 57 22.524 19.055 2.861 1.00 2.27 H new ATOM 0 HD3 LYS B 57 23.201 19.036 4.477 1.00 2.27 H new ATOM 0 HE2 LYS B 57 25.265 20.112 3.663 1.00 3.70 H new ATOM 0 HE3 LYS B 57 24.674 20.056 2.014 1.00 3.70 H new ATOM 0 HZ1 LYS B 57 24.315 22.221 3.110 1.00 4.98 H new ATOM 0 HZ2 LYS B 57 22.862 21.510 2.594 1.00 4.98 H new ATOM 0 HZ3 LYS B 57 23.287 21.476 4.238 1.00 4.98 H new ATOM 2434 N SER B 58 20.251 15.569 2.005 1.00 1.52 N ATOM 2435 CA SER B 58 19.372 15.545 0.839 1.00 1.59 C ATOM 2436 C SER B 58 18.159 16.495 0.952 1.00 1.41 C ATOM 2437 O SER B 58 17.712 16.999 -0.080 1.00 1.58 O ATOM 2438 CB SER B 58 18.949 14.119 0.485 1.00 1.67 C ATOM 2439 OG SER B 58 18.643 14.058 -0.903 1.00 2.34 O ATOM 0 H SER B 58 20.123 14.767 2.622 1.00 1.52 H new ATOM 0 HA SER B 58 19.966 15.934 0.012 1.00 1.59 H new ATOM 0 HB2 SER B 58 19.749 13.418 0.725 1.00 1.67 H new ATOM 0 HB3 SER B 58 18.081 13.826 1.075 1.00 1.67 H new ATOM 0 HG SER B 58 18.372 13.146 -1.139 1.00 2.34 H new ATOM 2445 N LEU B 59 17.674 16.813 2.162 1.00 1.20 N ATOM 2446 CA LEU B 59 16.696 17.889 2.418 1.00 1.21 C ATOM 2447 C LEU B 59 17.358 19.271 2.393 1.00 1.39 C ATOM 2448 O LEU B 59 16.897 20.171 1.706 1.00 1.62 O ATOM 2449 CB LEU B 59 16.016 17.702 3.795 1.00 1.10 C ATOM 2450 CG LEU B 59 15.364 16.337 4.070 1.00 1.07 C ATOM 2451 CD1 LEU B 59 14.711 16.343 5.459 1.00 1.18 C ATOM 2452 CD2 LEU B 59 14.327 15.995 2.998 1.00 1.17 C ATOM 0 H LEU B 59 17.955 16.320 3.010 1.00 1.20 H new ATOM 0 HA LEU B 59 15.953 17.830 1.623 1.00 1.21 H new ATOM 0 HB2 LEU B 59 16.762 17.884 4.569 1.00 1.10 H new ATOM 0 HB3 LEU B 59 15.251 18.471 3.903 1.00 1.10 H new ATOM 0 HG LEU B 59 16.141 15.573 4.041 1.00 1.07 H new ATOM 0 HD11 LEU B 59 14.250 15.373 5.649 1.00 1.18 H new ATOM 0 HD12 LEU B 59 15.470 16.539 6.217 1.00 1.18 H new ATOM 0 HD13 LEU B 59 13.949 17.121 5.499 1.00 1.18 H new ATOM 0 HD21 LEU B 59 13.882 15.024 3.218 1.00 1.17 H new ATOM 0 HD22 LEU B 59 13.548 16.757 2.989 1.00 1.17 H new ATOM 0 HD23 LEU B 59 14.811 15.959 2.022 1.00 1.17 H new ATOM 2464 N ASP B 60 18.441 19.396 3.153 1.00 1.37 N ATOM 2465 CA ASP B 60 19.320 20.553 3.383 1.00 1.61 C ATOM 2466 C ASP B 60 20.211 20.876 2.154 1.00 1.95 C ATOM 2467 O ASP B 60 21.046 21.778 2.158 1.00 2.51 O ATOM 2468 CB ASP B 60 20.130 20.151 4.626 1.00 1.65 C ATOM 2469 CG ASP B 60 20.673 21.267 5.496 1.00 1.97 C ATOM 2470 OD1 ASP B 60 21.801 21.729 5.217 1.00 3.14 O ATOM 2471 OD2 ASP B 60 20.032 21.477 6.550 1.00 2.14 O ATOM 0 H ASP B 60 18.769 18.594 3.691 1.00 1.37 H new ATOM 0 HA ASP B 60 18.765 21.478 3.537 1.00 1.61 H new ATOM 0 HB2 ASP B 60 19.499 19.516 5.248 1.00 1.65 H new ATOM 0 HB3 ASP B 60 20.971 19.541 4.297 1.00 1.65 H new ATOM 2476 N LYS B 61 20.042 20.102 1.077 1.00 1.83 N ATOM 2477 CA LYS B 61 20.188 20.501 -0.324 1.00 1.93 C ATOM 2478 C LYS B 61 19.465 21.825 -0.649 1.00 1.76 C ATOM 2479 O LYS B 61 19.938 22.628 -1.443 1.00 1.96 O ATOM 2480 CB LYS B 61 19.511 19.340 -1.072 1.00 1.94 C ATOM 2481 CG LYS B 61 19.615 19.334 -2.601 1.00 2.65 C ATOM 2482 CD LYS B 61 20.518 18.215 -3.122 1.00 3.53 C ATOM 2483 CE LYS B 61 20.165 16.792 -2.661 1.00 4.57 C ATOM 2484 NZ LYS B 61 18.706 16.485 -2.624 1.00 5.57 N ATOM 0 H LYS B 61 19.784 19.119 1.168 1.00 1.83 H new ATOM 0 HA LYS B 61 21.230 20.676 -0.593 1.00 1.93 H new ATOM 0 HB2 LYS B 61 19.935 18.407 -0.701 1.00 1.94 H new ATOM 0 HB3 LYS B 61 18.454 19.338 -0.806 1.00 1.94 H new ATOM 0 HG2 LYS B 61 18.619 19.222 -3.029 1.00 2.65 H new ATOM 0 HG3 LYS B 61 20.001 20.295 -2.940 1.00 2.65 H new ATOM 0 HD2 LYS B 61 20.498 18.237 -4.212 1.00 3.53 H new ATOM 0 HD3 LYS B 61 21.542 18.430 -2.817 1.00 3.53 H new ATOM 0 HE2 LYS B 61 20.654 16.079 -3.325 1.00 4.57 H new ATOM 0 HE3 LYS B 61 20.579 16.636 -1.665 1.00 4.57 H new ATOM 0 HZ1 LYS B 61 18.569 15.479 -2.401 1.00 5.57 H new ATOM 0 HZ2 LYS B 61 18.247 17.067 -1.894 1.00 5.57 H new ATOM 0 HZ3 LYS B 61 18.283 16.695 -3.551 1.00 5.57 H new ATOM 2498 N ASN B 62 18.311 22.001 -0.015 1.00 1.56 N ATOM 2499 CA ASN B 62 17.352 23.088 -0.132 1.00 1.66 C ATOM 2500 C ASN B 62 16.867 23.447 1.289 1.00 1.95 C ATOM 2501 O ASN B 62 17.529 23.127 2.274 1.00 3.78 O ATOM 2502 CB ASN B 62 16.207 22.565 -1.027 1.00 1.80 C ATOM 2503 CG ASN B 62 16.599 22.545 -2.489 1.00 1.75 C ATOM 2504 OD1 ASN B 62 17.095 21.551 -3.007 1.00 2.05 O ATOM 2505 ND2 ASN B 62 16.370 23.642 -3.181 1.00 2.15 N ATOM 0 H ASN B 62 17.993 21.311 0.665 1.00 1.56 H new ATOM 0 HA ASN B 62 17.771 23.990 -0.578 1.00 1.66 H new ATOM 0 HB2 ASN B 62 15.930 21.559 -0.711 1.00 1.80 H new ATOM 0 HB3 ASN B 62 15.327 23.194 -0.895 1.00 1.80 H new ATOM 0 HD21 ASN B 62 16.606 23.678 -4.173 1.00 2.15 H new ATOM 0 HD22 ASN B 62 15.956 24.455 -2.725 1.00 2.15 H new ATOM 2512 N SER B 63 15.682 24.048 1.383 1.00 0.97 N ATOM 2513 CA SER B 63 14.785 24.256 2.547 1.00 1.05 C ATOM 2514 C SER B 63 13.798 25.413 2.345 1.00 1.21 C ATOM 2515 O SER B 63 12.867 25.571 3.131 1.00 1.67 O ATOM 2516 CB SER B 63 15.491 24.351 3.908 1.00 1.53 C ATOM 2517 OG SER B 63 15.920 23.069 4.323 1.00 2.95 O ATOM 0 H SER B 63 15.265 24.456 0.546 1.00 0.97 H new ATOM 0 HA SER B 63 14.209 23.331 2.588 1.00 1.05 H new ATOM 0 HB2 SER B 63 16.346 25.024 3.837 1.00 1.53 H new ATOM 0 HB3 SER B 63 14.813 24.774 4.649 1.00 1.53 H new ATOM 0 HG SER B 63 16.740 22.827 3.843 1.00 2.95 H new ATOM 2523 N ASP B 64 13.957 26.141 1.240 1.00 1.42 N ATOM 2524 CA ASP B 64 12.959 26.863 0.463 1.00 2.31 C ATOM 2525 C ASP B 64 11.779 25.975 0.018 1.00 1.88 C ATOM 2526 O ASP B 64 10.637 26.287 0.342 1.00 2.01 O ATOM 2527 CB ASP B 64 13.724 27.424 -0.762 1.00 3.71 C ATOM 2528 CG ASP B 64 14.495 26.332 -1.539 1.00 5.78 C ATOM 2529 OD1 ASP B 64 15.487 25.791 -1.001 1.00 6.01 O ATOM 2530 OD2 ASP B 64 14.007 25.883 -2.598 1.00 7.47 O ATOM 0 H ASP B 64 14.884 26.248 0.828 1.00 1.42 H new ATOM 0 HA ASP B 64 12.501 27.647 1.066 1.00 2.31 H new ATOM 0 HB2 ASP B 64 13.017 27.911 -1.434 1.00 3.71 H new ATOM 0 HB3 ASP B 64 14.425 28.189 -0.428 1.00 3.71 H new ATOM 2535 N GLN B 65 12.054 24.889 -0.711 1.00 1.93 N ATOM 2536 CA GLN B 65 11.077 24.006 -1.344 1.00 1.85 C ATOM 2537 C GLN B 65 9.951 23.579 -0.400 1.00 1.26 C ATOM 2538 O GLN B 65 10.219 23.175 0.735 1.00 1.07 O ATOM 2539 CB GLN B 65 11.790 22.718 -1.768 1.00 2.02 C ATOM 2540 CG GLN B 65 11.099 21.944 -2.898 1.00 3.43 C ATOM 2541 CD GLN B 65 11.446 20.458 -2.839 1.00 4.58 C ATOM 2542 OE1 GLN B 65 12.607 20.076 -2.943 1.00 4.89 O ATOM 2543 NE2 GLN B 65 10.479 19.596 -2.602 1.00 5.77 N ATOM 0 H GLN B 65 13.014 24.589 -0.883 1.00 1.93 H new ATOM 0 HA GLN B 65 10.648 24.562 -2.178 1.00 1.85 H new ATOM 0 HB2 GLN B 65 12.803 22.967 -2.083 1.00 2.02 H new ATOM 0 HB3 GLN B 65 11.878 22.065 -0.900 1.00 2.02 H new ATOM 0 HG2 GLN B 65 10.019 22.072 -2.823 1.00 3.43 H new ATOM 0 HG3 GLN B 65 11.402 22.353 -3.862 1.00 3.43 H new ATOM 0 HE21 GLN B 65 9.516 19.921 -2.517 1.00 5.77 H new ATOM 0 HE22 GLN B 65 10.693 18.604 -2.504 1.00 5.77 H new ATOM 2552 N GLU B 66 8.723 23.529 -0.923 1.00 1.13 N ATOM 2553 CA GLU B 66 7.651 22.821 -0.246 1.00 0.86 C ATOM 2554 C GLU B 66 7.692 21.315 -0.508 1.00 0.77 C ATOM 2555 O GLU B 66 8.147 20.842 -1.551 1.00 1.08 O ATOM 2556 CB GLU B 66 6.265 23.340 -0.647 1.00 0.93 C ATOM 2557 CG GLU B 66 6.007 24.810 -0.305 1.00 1.24 C ATOM 2558 CD GLU B 66 4.571 25.157 -0.686 1.00 1.46 C ATOM 2559 OE1 GLU B 66 3.665 24.643 0.010 1.00 2.07 O ATOM 2560 OE2 GLU B 66 4.386 25.870 -1.690 1.00 2.34 O ATOM 0 H GLU B 66 8.455 23.968 -1.804 1.00 1.13 H new ATOM 0 HA GLU B 66 7.815 23.008 0.815 1.00 0.86 H new ATOM 0 HB2 GLU B 66 6.138 23.204 -1.721 1.00 0.93 H new ATOM 0 HB3 GLU B 66 5.508 22.729 -0.156 1.00 0.93 H new ATOM 0 HG2 GLU B 66 6.168 24.984 0.759 1.00 1.24 H new ATOM 0 HG3 GLU B 66 6.706 25.451 -0.842 1.00 1.24 H new ATOM 2567 N ILE B 67 7.150 20.569 0.450 1.00 0.65 N ATOM 2568 CA ILE B 67 7.022 19.113 0.437 1.00 0.70 C ATOM 2569 C ILE B 67 5.662 18.682 0.972 1.00 0.80 C ATOM 2570 O ILE B 67 5.085 19.321 1.853 1.00 0.86 O ATOM 2571 CB ILE B 67 8.142 18.436 1.262 1.00 0.76 C ATOM 2572 CG1 ILE B 67 8.497 19.216 2.542 1.00 1.86 C ATOM 2573 CG2 ILE B 67 9.381 18.203 0.393 1.00 1.95 C ATOM 2574 CD1 ILE B 67 9.386 18.424 3.491 1.00 2.08 C ATOM 0 H ILE B 67 6.768 20.984 1.300 1.00 0.65 H new ATOM 0 HA ILE B 67 7.116 18.793 -0.601 1.00 0.70 H new ATOM 0 HB ILE B 67 7.757 17.471 1.591 1.00 0.76 H new ATOM 0 HG12 ILE B 67 9.001 20.143 2.269 1.00 1.86 H new ATOM 0 HG13 ILE B 67 7.578 19.493 3.059 1.00 1.86 H new ATOM 0 HG21 ILE B 67 10.159 17.726 0.989 1.00 1.95 H new ATOM 0 HG22 ILE B 67 9.121 17.558 -0.446 1.00 1.95 H new ATOM 0 HG23 ILE B 67 9.747 19.159 0.017 1.00 1.95 H new ATOM 0 HD11 ILE B 67 9.602 19.025 4.374 1.00 2.08 H new ATOM 0 HD12 ILE B 67 8.874 17.510 3.791 1.00 2.08 H new ATOM 0 HD13 ILE B 67 10.319 18.169 2.988 1.00 2.08 H new ATOM 2586 N ASP B 68 5.184 17.559 0.445 1.00 1.01 N ATOM 2587 CA ASP B 68 3.952 16.896 0.859 1.00 1.25 C ATOM 2588 C ASP B 68 4.213 15.689 1.779 1.00 1.35 C ATOM 2589 O ASP B 68 5.347 15.267 2.032 1.00 1.51 O ATOM 2590 CB ASP B 68 3.146 16.488 -0.398 1.00 1.52 C ATOM 2591 CG ASP B 68 3.598 15.176 -1.057 1.00 1.38 C ATOM 2592 OD1 ASP B 68 4.811 14.869 -1.030 1.00 2.20 O ATOM 2593 OD2 ASP B 68 2.713 14.426 -1.536 1.00 1.86 O ATOM 0 H ASP B 68 5.662 17.067 -0.310 1.00 1.01 H new ATOM 0 HA ASP B 68 3.367 17.600 1.451 1.00 1.25 H new ATOM 0 HB2 ASP B 68 2.095 16.397 -0.124 1.00 1.52 H new ATOM 0 HB3 ASP B 68 3.216 17.290 -1.133 1.00 1.52 H new ATOM 2598 N PHE B 69 3.109 15.070 2.197 1.00 1.36 N ATOM 2599 CA PHE B 69 3.062 13.824 2.955 1.00 1.41 C ATOM 2600 C PHE B 69 3.829 12.641 2.301 1.00 1.39 C ATOM 2601 O PHE B 69 4.126 11.642 2.959 1.00 1.38 O ATOM 2602 CB PHE B 69 1.561 13.535 3.166 1.00 1.61 C ATOM 2603 CG PHE B 69 1.259 12.239 3.879 1.00 1.72 C ATOM 2604 CD1 PHE B 69 1.724 12.054 5.183 1.00 2.86 C ATOM 2605 CD2 PHE B 69 0.565 11.197 3.233 1.00 2.72 C ATOM 2606 CE1 PHE B 69 1.605 10.804 5.801 1.00 3.78 C ATOM 2607 CE2 PHE B 69 0.413 9.950 3.864 1.00 4.00 C ATOM 2608 CZ PHE B 69 0.961 9.742 5.144 1.00 4.22 C ATOM 0 H PHE B 69 2.179 15.444 2.006 1.00 1.36 H new ATOM 0 HA PHE B 69 3.589 13.936 3.903 1.00 1.41 H new ATOM 0 HB2 PHE B 69 1.124 14.356 3.734 1.00 1.61 H new ATOM 0 HB3 PHE B 69 1.068 13.522 2.194 1.00 1.61 H new ATOM 0 HD1 PHE B 69 2.176 12.877 5.716 1.00 2.86 H new ATOM 0 HD2 PHE B 69 0.148 11.357 2.250 1.00 2.72 H new ATOM 0 HE1 PHE B 69 2.011 10.655 6.790 1.00 3.78 H new ATOM 0 HE2 PHE B 69 -0.123 9.154 3.368 1.00 4.00 H new ATOM 0 HZ PHE B 69 0.887 8.774 5.617 1.00 4.22 H new ATOM 2618 N LYS B 70 4.187 12.719 1.014 1.00 1.39 N ATOM 2619 CA LYS B 70 4.789 11.638 0.230 1.00 1.38 C ATOM 2620 C LYS B 70 6.312 11.691 0.194 1.00 1.07 C ATOM 2621 O LYS B 70 6.918 10.645 0.431 1.00 0.98 O ATOM 2622 CB LYS B 70 4.208 11.741 -1.170 1.00 1.64 C ATOM 2623 CG LYS B 70 4.314 10.494 -2.048 1.00 1.59 C ATOM 2624 CD LYS B 70 3.664 10.760 -3.415 1.00 2.10 C ATOM 2625 CE LYS B 70 2.144 11.032 -3.367 1.00 3.79 C ATOM 2626 NZ LYS B 70 1.799 12.464 -3.146 1.00 5.00 N ATOM 0 H LYS B 70 4.059 13.572 0.470 1.00 1.39 H new ATOM 0 HA LYS B 70 4.555 10.681 0.697 1.00 1.38 H new ATOM 0 HB2 LYS B 70 3.155 12.008 -1.083 1.00 1.64 H new ATOM 0 HB3 LYS B 70 4.704 12.564 -1.685 1.00 1.64 H new ATOM 0 HG2 LYS B 70 5.361 10.220 -2.180 1.00 1.59 H new ATOM 0 HG3 LYS B 70 3.823 9.652 -1.560 1.00 1.59 H new ATOM 0 HD2 LYS B 70 4.158 11.615 -3.876 1.00 2.10 H new ATOM 0 HD3 LYS B 70 3.845 9.901 -4.061 1.00 2.10 H new ATOM 0 HE2 LYS B 70 1.695 10.699 -4.303 1.00 3.79 H new ATOM 0 HE3 LYS B 70 1.702 10.434 -2.570 1.00 3.79 H new ATOM 0 HZ1 LYS B 70 0.853 12.657 -3.532 1.00 5.00 H new ATOM 0 HZ2 LYS B 70 1.806 12.669 -2.127 1.00 5.00 H new ATOM 0 HZ3 LYS B 70 2.497 13.067 -3.625 1.00 5.00 H new ATOM 2640 N GLU B 71 6.906 12.874 -0.017 1.00 0.97 N ATOM 2641 CA GLU B 71 8.329 13.106 0.289 1.00 0.88 C ATOM 2642 C GLU B 71 8.623 12.650 1.735 1.00 0.78 C ATOM 2643 O GLU B 71 9.581 11.935 2.000 1.00 0.76 O ATOM 2644 CB GLU B 71 8.705 14.587 0.073 1.00 0.95 C ATOM 2645 CG GLU B 71 8.867 14.985 -1.414 1.00 0.97 C ATOM 2646 CD GLU B 71 10.284 15.488 -1.758 1.00 1.43 C ATOM 2647 OE1 GLU B 71 11.265 14.787 -1.437 1.00 2.19 O ATOM 2648 OE2 GLU B 71 10.434 16.628 -2.257 1.00 2.36 O ATOM 0 H GLU B 71 6.424 13.688 -0.399 1.00 0.97 H new ATOM 0 HA GLU B 71 8.944 12.519 -0.393 1.00 0.88 H new ATOM 0 HB2 GLU B 71 7.938 15.216 0.525 1.00 0.95 H new ATOM 0 HB3 GLU B 71 9.638 14.795 0.598 1.00 0.95 H new ATOM 0 HG2 GLU B 71 8.632 14.125 -2.041 1.00 0.97 H new ATOM 0 HG3 GLU B 71 8.144 15.764 -1.656 1.00 0.97 H new ATOM 2655 N TYR B 72 7.692 12.926 2.656 1.00 0.81 N ATOM 2656 CA TYR B 72 7.750 12.445 4.051 1.00 0.76 C ATOM 2657 C TYR B 72 7.633 10.902 4.187 1.00 0.73 C ATOM 2658 O TYR B 72 8.484 10.273 4.812 1.00 0.64 O ATOM 2659 CB TYR B 72 6.682 13.213 4.846 1.00 0.89 C ATOM 2660 CG TYR B 72 6.342 12.751 6.259 1.00 0.99 C ATOM 2661 CD1 TYR B 72 7.319 12.327 7.186 1.00 2.44 C ATOM 2662 CD2 TYR B 72 4.998 12.796 6.668 1.00 2.00 C ATOM 2663 CE1 TYR B 72 6.956 11.976 8.501 1.00 2.56 C ATOM 2664 CE2 TYR B 72 4.620 12.403 7.963 1.00 1.99 C ATOM 2665 CZ TYR B 72 5.596 12.001 8.896 1.00 1.24 C ATOM 2666 OH TYR B 72 5.224 11.664 10.161 1.00 1.38 O ATOM 0 H TYR B 72 6.868 13.494 2.457 1.00 0.81 H new ATOM 0 HA TYR B 72 8.737 12.650 4.465 1.00 0.76 H new ATOM 0 HB2 TYR B 72 7.001 14.253 4.907 1.00 0.89 H new ATOM 0 HB3 TYR B 72 5.761 13.196 4.263 1.00 0.89 H new ATOM 0 HD1 TYR B 72 8.354 12.271 6.884 1.00 2.44 H new ATOM 0 HD2 TYR B 72 4.243 13.138 5.975 1.00 2.00 H new ATOM 0 HE1 TYR B 72 7.717 11.687 9.210 1.00 2.56 H new ATOM 0 HE2 TYR B 72 3.577 12.409 8.244 1.00 1.99 H new ATOM 0 HH TYR B 72 4.251 11.741 10.247 1.00 1.38 H new ATOM 2676 N SER B 73 6.623 10.280 3.572 1.00 0.86 N ATOM 2677 CA SER B 73 6.424 8.814 3.530 1.00 0.84 C ATOM 2678 C SER B 73 7.605 8.032 2.929 1.00 0.82 C ATOM 2679 O SER B 73 8.026 7.017 3.504 1.00 0.81 O ATOM 2680 CB SER B 73 5.130 8.532 2.759 1.00 0.90 C ATOM 2681 OG SER B 73 4.750 7.179 2.853 1.00 2.08 O ATOM 0 H SER B 73 5.895 10.791 3.072 1.00 0.86 H new ATOM 0 HA SER B 73 6.356 8.460 4.558 1.00 0.84 H new ATOM 0 HB2 SER B 73 4.330 9.162 3.148 1.00 0.90 H new ATOM 0 HB3 SER B 73 5.265 8.800 1.711 1.00 0.90 H new ATOM 0 HG SER B 73 3.905 7.043 2.376 1.00 2.08 H new ATOM 2687 N VAL B 74 8.211 8.523 1.838 1.00 0.84 N ATOM 2688 CA VAL B 74 9.428 7.919 1.279 1.00 0.84 C ATOM 2689 C VAL B 74 10.667 8.204 2.125 1.00 0.78 C ATOM 2690 O VAL B 74 11.573 7.388 2.093 1.00 0.72 O ATOM 2691 CB VAL B 74 9.720 8.272 -0.192 1.00 0.91 C ATOM 2692 CG1 VAL B 74 8.543 7.873 -1.092 1.00 1.03 C ATOM 2693 CG2 VAL B 74 10.127 9.725 -0.464 1.00 0.88 C ATOM 0 H VAL B 74 7.877 9.339 1.325 1.00 0.84 H new ATOM 0 HA VAL B 74 9.205 6.852 1.305 1.00 0.84 H new ATOM 0 HB VAL B 74 10.605 7.685 -0.436 1.00 0.91 H new ATOM 0 HG11 VAL B 74 8.772 8.132 -2.126 1.00 1.03 H new ATOM 0 HG12 VAL B 74 8.374 6.799 -1.015 1.00 1.03 H new ATOM 0 HG13 VAL B 74 7.646 8.405 -0.775 1.00 1.03 H new ATOM 0 HG21 VAL B 74 10.308 9.859 -1.531 1.00 0.88 H new ATOM 0 HG22 VAL B 74 9.327 10.393 -0.145 1.00 0.88 H new ATOM 0 HG23 VAL B 74 11.036 9.958 0.090 1.00 0.88 H new ATOM 2703 N PHE B 75 10.727 9.308 2.885 1.00 0.80 N ATOM 2704 CA PHE B 75 11.855 9.591 3.775 1.00 0.74 C ATOM 2705 C PHE B 75 11.868 8.647 4.980 1.00 0.66 C ATOM 2706 O PHE B 75 12.928 8.121 5.318 1.00 0.64 O ATOM 2707 CB PHE B 75 11.817 11.043 4.251 1.00 0.80 C ATOM 2708 CG PHE B 75 13.134 11.525 4.828 1.00 0.70 C ATOM 2709 CD1 PHE B 75 13.563 11.138 6.117 1.00 2.28 C ATOM 2710 CD2 PHE B 75 13.950 12.359 4.047 1.00 1.66 C ATOM 2711 CE1 PHE B 75 14.757 11.659 6.647 1.00 2.28 C ATOM 2712 CE2 PHE B 75 15.154 12.852 4.567 1.00 1.66 C ATOM 2713 CZ PHE B 75 15.542 12.537 5.877 1.00 0.68 C ATOM 0 H PHE B 75 9.999 10.023 2.898 1.00 0.80 H new ATOM 0 HA PHE B 75 12.769 9.428 3.204 1.00 0.74 H new ATOM 0 HB2 PHE B 75 11.540 11.684 3.414 1.00 0.80 H new ATOM 0 HB3 PHE B 75 11.038 11.149 5.006 1.00 0.80 H new ATOM 0 HD1 PHE B 75 12.974 10.442 6.696 1.00 2.28 H new ATOM 0 HD2 PHE B 75 13.649 12.621 3.043 1.00 1.66 H new ATOM 0 HE1 PHE B 75 15.071 11.386 7.644 1.00 2.28 H new ATOM 0 HE2 PHE B 75 15.787 13.478 3.955 1.00 1.66 H new ATOM 0 HZ PHE B 75 16.441 12.967 6.294 1.00 0.68 H new ATOM 2723 N LEU B 76 10.708 8.397 5.603 1.00 0.68 N ATOM 2724 CA LEU B 76 10.583 7.404 6.678 1.00 0.65 C ATOM 2725 C LEU B 76 10.988 6.019 6.173 1.00 0.58 C ATOM 2726 O LEU B 76 11.742 5.318 6.843 1.00 0.58 O ATOM 2727 CB LEU B 76 9.132 7.367 7.200 1.00 0.74 C ATOM 2728 CG LEU B 76 8.677 8.634 7.947 1.00 0.73 C ATOM 2729 CD1 LEU B 76 7.173 8.504 8.235 1.00 1.27 C ATOM 2730 CD2 LEU B 76 9.463 8.840 9.252 1.00 1.13 C ATOM 0 H LEU B 76 9.835 8.874 5.378 1.00 0.68 H new ATOM 0 HA LEU B 76 11.248 7.690 7.493 1.00 0.65 H new ATOM 0 HB2 LEU B 76 8.462 7.201 6.356 1.00 0.74 H new ATOM 0 HB3 LEU B 76 9.023 6.512 7.867 1.00 0.74 H new ATOM 0 HG LEU B 76 8.871 9.508 7.325 1.00 0.73 H new ATOM 0 HD11 LEU B 76 6.826 9.391 8.765 1.00 1.27 H new ATOM 0 HD12 LEU B 76 6.630 8.407 7.295 1.00 1.27 H new ATOM 0 HD13 LEU B 76 6.995 7.622 8.850 1.00 1.27 H new ATOM 0 HD21 LEU B 76 9.112 9.744 9.749 1.00 1.13 H new ATOM 0 HD22 LEU B 76 9.310 7.983 9.908 1.00 1.13 H new ATOM 0 HD23 LEU B 76 10.525 8.939 9.026 1.00 1.13 H new ATOM 2742 N THR B 77 10.529 5.658 4.973 1.00 0.58 N ATOM 2743 CA THR B 77 10.850 4.402 4.297 1.00 0.58 C ATOM 2744 C THR B 77 12.335 4.277 3.978 1.00 0.63 C ATOM 2745 O THR B 77 12.936 3.259 4.303 1.00 0.69 O ATOM 2746 CB THR B 77 9.985 4.317 3.046 1.00 0.61 C ATOM 2747 OG1 THR B 77 8.669 4.106 3.491 1.00 0.63 O ATOM 2748 CG2 THR B 77 10.436 3.200 2.108 1.00 0.85 C ATOM 0 H THR B 77 9.904 6.252 4.428 1.00 0.58 H new ATOM 0 HA THR B 77 10.632 3.563 4.958 1.00 0.58 H new ATOM 0 HB THR B 77 10.066 5.235 2.464 1.00 0.61 H new ATOM 0 HG1 THR B 77 8.213 4.968 3.584 1.00 0.63 H new ATOM 0 HG21 THR B 77 9.790 3.178 1.231 1.00 0.85 H new ATOM 0 HG22 THR B 77 11.465 3.380 1.796 1.00 0.85 H new ATOM 0 HG23 THR B 77 10.376 2.243 2.626 1.00 0.85 H new ATOM 2756 N MET B 78 12.935 5.318 3.401 1.00 0.65 N ATOM 2757 CA MET B 78 14.365 5.420 3.094 1.00 0.73 C ATOM 2758 C MET B 78 15.211 5.265 4.360 1.00 0.70 C ATOM 2759 O MET B 78 16.143 4.469 4.389 1.00 0.75 O ATOM 2760 CB MET B 78 14.573 6.776 2.402 1.00 0.81 C ATOM 2761 CG MET B 78 16.008 7.112 2.011 1.00 1.10 C ATOM 2762 SD MET B 78 16.124 8.741 1.215 1.00 2.07 S ATOM 2763 CE MET B 78 15.436 8.383 -0.416 1.00 1.44 C ATOM 0 H MET B 78 12.416 6.151 3.122 1.00 0.65 H new ATOM 0 HA MET B 78 14.689 4.617 2.432 1.00 0.73 H new ATOM 0 HB2 MET B 78 13.957 6.802 1.503 1.00 0.81 H new ATOM 0 HB3 MET B 78 14.204 7.560 3.064 1.00 0.81 H new ATOM 0 HG2 MET B 78 16.640 7.095 2.899 1.00 1.10 H new ATOM 0 HG3 MET B 78 16.389 6.348 1.333 1.00 1.10 H new ATOM 0 HE1 MET B 78 15.602 9.234 -1.076 1.00 1.44 H new ATOM 0 HE2 MET B 78 15.924 7.501 -0.831 1.00 1.44 H new ATOM 0 HE3 MET B 78 14.366 8.197 -0.327 1.00 1.44 H new ATOM 2773 N LEU B 79 14.840 5.969 5.430 1.00 0.64 N ATOM 2774 CA LEU B 79 15.460 5.861 6.751 1.00 0.65 C ATOM 2775 C LEU B 79 15.278 4.468 7.384 1.00 0.65 C ATOM 2776 O LEU B 79 16.227 3.952 7.963 1.00 0.69 O ATOM 2777 CB LEU B 79 14.913 7.014 7.615 1.00 0.71 C ATOM 2778 CG LEU B 79 15.457 7.084 9.054 1.00 1.16 C ATOM 2779 CD1 LEU B 79 16.992 7.028 9.124 1.00 1.28 C ATOM 2780 CD2 LEU B 79 14.956 8.373 9.721 1.00 2.17 C ATOM 0 H LEU B 79 14.080 6.648 5.401 1.00 0.64 H new ATOM 0 HA LEU B 79 16.542 5.960 6.668 1.00 0.65 H new ATOM 0 HB2 LEU B 79 15.137 7.956 7.115 1.00 0.71 H new ATOM 0 HB3 LEU B 79 13.827 6.927 7.660 1.00 0.71 H new ATOM 0 HG LEU B 79 15.087 6.205 9.581 1.00 1.16 H new ATOM 0 HD11 LEU B 79 17.311 7.082 10.165 1.00 1.28 H new ATOM 0 HD12 LEU B 79 17.342 6.094 8.685 1.00 1.28 H new ATOM 0 HD13 LEU B 79 17.412 7.869 8.572 1.00 1.28 H new ATOM 0 HD21 LEU B 79 15.338 8.428 10.740 1.00 2.17 H new ATOM 0 HD22 LEU B 79 15.307 9.236 9.155 1.00 2.17 H new ATOM 0 HD23 LEU B 79 13.866 8.372 9.742 1.00 2.17 H new ATOM 2792 N CYS B 80 14.116 3.825 7.240 1.00 0.69 N ATOM 2793 CA CYS B 80 13.912 2.446 7.698 1.00 0.79 C ATOM 2794 C CYS B 80 14.798 1.460 6.911 1.00 0.89 C ATOM 2795 O CYS B 80 15.519 0.661 7.500 1.00 1.04 O ATOM 2796 CB CYS B 80 12.404 2.141 7.599 1.00 0.83 C ATOM 2797 SG CYS B 80 12.030 0.515 8.313 1.00 1.15 S ATOM 0 H CYS B 80 13.293 4.242 6.805 1.00 0.69 H new ATOM 0 HA CYS B 80 14.222 2.326 8.736 1.00 0.79 H new ATOM 0 HB2 CYS B 80 11.837 2.912 8.121 1.00 0.83 H new ATOM 0 HB3 CYS B 80 12.091 2.166 6.555 1.00 0.83 H new ATOM 0 HG CYS B 80 11.931 -0.365 7.361 1.00 1.15 H new ATOM 2803 N MET B 81 14.841 1.587 5.581 1.00 0.90 N ATOM 2804 CA MET B 81 15.726 0.829 4.685 1.00 1.10 C ATOM 2805 C MET B 81 17.211 1.100 4.981 1.00 1.07 C ATOM 2806 O MET B 81 18.056 0.247 4.739 1.00 1.24 O ATOM 2807 CB MET B 81 15.307 1.175 3.245 1.00 1.27 C ATOM 2808 CG MET B 81 16.098 0.459 2.142 1.00 2.06 C ATOM 2809 SD MET B 81 16.704 1.573 0.846 1.00 3.33 S ATOM 2810 CE MET B 81 17.877 2.518 1.848 1.00 4.49 C ATOM 0 H MET B 81 14.241 2.242 5.080 1.00 0.90 H new ATOM 0 HA MET B 81 15.619 -0.244 4.841 1.00 1.10 H new ATOM 0 HB2 MET B 81 14.250 0.937 3.124 1.00 1.27 H new ATOM 0 HB3 MET B 81 15.409 2.251 3.103 1.00 1.27 H new ATOM 0 HG2 MET B 81 16.946 -0.058 2.591 1.00 2.06 H new ATOM 0 HG3 MET B 81 15.464 -0.303 1.688 1.00 2.06 H new ATOM 0 HE1 MET B 81 18.592 3.019 1.195 1.00 4.49 H new ATOM 0 HE2 MET B 81 17.338 3.262 2.435 1.00 4.49 H new ATOM 0 HE3 MET B 81 18.409 1.843 2.519 1.00 4.49 H new ATOM 2820 N ALA B 82 17.539 2.250 5.576 1.00 0.96 N ATOM 2821 CA ALA B 82 18.905 2.601 5.951 1.00 1.03 C ATOM 2822 C ALA B 82 19.457 1.869 7.200 1.00 1.02 C ATOM 2823 O ALA B 82 20.616 2.134 7.541 1.00 1.22 O ATOM 2824 CB ALA B 82 19.027 4.129 6.045 1.00 1.07 C ATOM 0 H ALA B 82 16.854 2.968 5.812 1.00 0.96 H new ATOM 0 HA ALA B 82 19.556 2.234 5.157 1.00 1.03 H new ATOM 0 HB1 ALA B 82 20.046 4.396 6.325 1.00 1.07 H new ATOM 0 HB2 ALA B 82 18.788 4.573 5.079 1.00 1.07 H new ATOM 0 HB3 ALA B 82 18.334 4.504 6.798 1.00 1.07 H new ATOM 2830 N TYR B 83 18.687 0.973 7.859 1.00 1.02 N ATOM 2831 CA TYR B 83 19.170 0.122 8.974 1.00 1.17 C ATOM 2832 C TYR B 83 18.285 -1.073 9.435 1.00 1.18 C ATOM 2833 O TYR B 83 18.709 -1.777 10.355 1.00 1.64 O ATOM 2834 CB TYR B 83 19.564 0.985 10.196 1.00 1.34 C ATOM 2835 CG TYR B 83 18.443 1.732 10.891 1.00 1.30 C ATOM 2836 CD1 TYR B 83 17.762 1.137 11.974 1.00 2.23 C ATOM 2837 CD2 TYR B 83 18.128 3.048 10.507 1.00 2.37 C ATOM 2838 CE1 TYR B 83 16.779 1.859 12.678 1.00 2.44 C ATOM 2839 CE2 TYR B 83 17.148 3.778 11.209 1.00 2.40 C ATOM 2840 CZ TYR B 83 16.478 3.187 12.303 1.00 1.68 C ATOM 2841 OH TYR B 83 15.567 3.909 13.011 1.00 2.04 O ATOM 0 H TYR B 83 17.705 0.818 7.631 1.00 1.02 H new ATOM 0 HA TYR B 83 20.032 -0.369 8.523 1.00 1.17 H new ATOM 0 HB2 TYR B 83 20.047 0.338 10.928 1.00 1.34 H new ATOM 0 HB3 TYR B 83 20.309 1.712 9.873 1.00 1.34 H new ATOM 0 HD1 TYR B 83 17.996 0.123 12.264 1.00 2.23 H new ATOM 0 HD2 TYR B 83 18.639 3.501 9.671 1.00 2.37 H new ATOM 0 HE1 TYR B 83 16.256 1.398 13.503 1.00 2.44 H new ATOM 0 HE2 TYR B 83 16.910 4.788 10.911 1.00 2.40 H new ATOM 0 HH TYR B 83 15.481 4.803 12.618 1.00 2.04 H new ATOM 2851 N ASN B 84 17.090 -1.315 8.884 1.00 1.05 N ATOM 2852 CA ASN B 84 16.180 -2.383 9.343 1.00 1.17 C ATOM 2853 C ASN B 84 16.494 -3.790 8.762 1.00 1.29 C ATOM 2854 O ASN B 84 17.038 -3.934 7.669 1.00 1.73 O ATOM 2855 CB ASN B 84 14.732 -1.958 9.057 1.00 1.42 C ATOM 2856 CG ASN B 84 13.734 -3.046 9.429 1.00 2.26 C ATOM 2857 OD1 ASN B 84 13.189 -3.712 8.565 1.00 3.58 O ATOM 2858 ND2 ASN B 84 13.558 -3.332 10.702 1.00 3.32 N ATOM 0 H ASN B 84 16.720 -0.775 8.102 1.00 1.05 H new ATOM 0 HA ASN B 84 16.333 -2.500 10.416 1.00 1.17 H new ATOM 0 HB2 ASN B 84 14.504 -1.050 9.616 1.00 1.42 H new ATOM 0 HB3 ASN B 84 14.627 -1.716 7.999 1.00 1.42 H new ATOM 0 HD21 ASN B 84 12.963 -4.115 10.971 1.00 3.32 H new ATOM 0 HD22 ASN B 84 14.017 -2.770 11.419 1.00 3.32 H new ATOM 2865 N ASP B 85 16.114 -4.846 9.498 1.00 2.27 N ATOM 2866 CA ASP B 85 16.366 -6.260 9.194 1.00 2.68 C ATOM 2867 C ASP B 85 15.413 -6.890 8.156 1.00 3.40 C ATOM 2868 O ASP B 85 15.793 -7.858 7.498 1.00 3.54 O ATOM 2869 CB ASP B 85 16.305 -7.065 10.504 1.00 4.36 C ATOM 2870 CG ASP B 85 14.883 -7.201 11.069 1.00 6.29 C ATOM 2871 OD1 ASP B 85 14.276 -6.143 11.358 1.00 7.01 O ATOM 2872 OD2 ASP B 85 14.412 -8.354 11.179 1.00 7.48 O ATOM 0 H ASP B 85 15.595 -4.728 10.368 1.00 2.27 H new ATOM 0 HA ASP B 85 17.354 -6.298 8.734 1.00 2.68 H new ATOM 0 HB2 ASP B 85 16.716 -8.060 10.330 1.00 4.36 H new ATOM 0 HB3 ASP B 85 16.939 -6.583 11.248 1.00 4.36 H new ATOM 2877 N PHE B 86 14.205 -6.345 7.967 1.00 4.40 N ATOM 2878 CA PHE B 86 13.287 -6.797 6.916 1.00 5.88 C ATOM 2879 C PHE B 86 13.717 -6.244 5.551 1.00 5.99 C ATOM 2880 O PHE B 86 13.437 -6.863 4.530 1.00 7.40 O ATOM 2881 CB PHE B 86 11.832 -6.375 7.206 1.00 6.97 C ATOM 2882 CG PHE B 86 11.154 -6.854 8.486 1.00 7.69 C ATOM 2883 CD1 PHE B 86 11.779 -7.706 9.417 1.00 7.64 C ATOM 2884 CD2 PHE B 86 9.839 -6.419 8.739 1.00 8.99 C ATOM 2885 CE1 PHE B 86 11.115 -8.081 10.599 1.00 8.70 C ATOM 2886 CE2 PHE B 86 9.163 -6.810 9.910 1.00 10.02 C ATOM 2887 CZ PHE B 86 9.807 -7.634 10.849 1.00 9.81 C ATOM 0 H PHE B 86 13.838 -5.582 8.536 1.00 4.40 H new ATOM 0 HA PHE B 86 13.330 -7.886 6.899 1.00 5.88 H new ATOM 0 HB2 PHE B 86 11.802 -5.285 7.208 1.00 6.97 H new ATOM 0 HB3 PHE B 86 11.221 -6.709 6.367 1.00 6.97 H new ATOM 0 HD1 PHE B 86 12.775 -8.074 9.222 1.00 7.64 H new ATOM 0 HD2 PHE B 86 9.343 -5.777 8.026 1.00 8.99 H new ATOM 0 HE1 PHE B 86 11.613 -8.715 11.317 1.00 8.70 H new ATOM 0 HE2 PHE B 86 8.151 -6.477 10.087 1.00 10.02 H new ATOM 0 HZ PHE B 86 9.299 -7.922 11.758 1.00 9.81 H new ATOM 2897 N PHE B 87 14.421 -5.105 5.527 1.00 5.03 N ATOM 2898 CA PHE B 87 14.881 -4.395 4.324 1.00 6.03 C ATOM 2899 C PHE B 87 16.415 -4.416 4.203 1.00 5.97 C ATOM 2900 O PHE B 87 17.013 -3.497 3.649 1.00 7.31 O ATOM 2901 CB PHE B 87 14.286 -2.977 4.322 1.00 6.06 C ATOM 2902 CG PHE B 87 12.805 -2.976 4.647 1.00 5.43 C ATOM 2903 CD1 PHE B 87 11.912 -3.757 3.887 1.00 5.99 C ATOM 2904 CD2 PHE B 87 12.351 -2.340 5.814 1.00 5.00 C ATOM 2905 CE1 PHE B 87 10.595 -3.961 4.331 1.00 6.11 C ATOM 2906 CE2 PHE B 87 11.033 -2.534 6.254 1.00 4.84 C ATOM 2907 CZ PHE B 87 10.160 -3.360 5.528 1.00 5.44 C ATOM 0 H PHE B 87 14.699 -4.630 6.386 1.00 5.03 H new ATOM 0 HA PHE B 87 14.522 -4.909 3.432 1.00 6.03 H new ATOM 0 HB2 PHE B 87 14.816 -2.362 5.049 1.00 6.06 H new ATOM 0 HB3 PHE B 87 14.442 -2.521 3.344 1.00 6.06 H new ATOM 0 HD1 PHE B 87 12.241 -4.201 2.959 1.00 5.99 H new ATOM 0 HD2 PHE B 87 13.018 -1.701 6.374 1.00 5.00 H new ATOM 0 HE1 PHE B 87 9.919 -4.576 3.757 1.00 6.11 H new ATOM 0 HE2 PHE B 87 10.689 -2.046 7.154 1.00 4.84 H new ATOM 0 HZ PHE B 87 9.156 -3.534 5.887 1.00 5.44 H new ATOM 2917 N LEU B 88 17.026 -5.459 4.769 1.00 4.74 N ATOM 2918 CA LEU B 88 18.463 -5.693 4.825 1.00 4.62 C ATOM 2919 C LEU B 88 19.099 -5.931 3.446 1.00 6.35 C ATOM 2920 O LEU B 88 18.425 -6.225 2.461 1.00 7.65 O ATOM 2921 CB LEU B 88 18.718 -6.831 5.840 1.00 2.38 C ATOM 2922 CG LEU B 88 18.305 -8.289 5.491 1.00 1.86 C ATOM 2923 CD1 LEU B 88 17.091 -8.475 4.558 1.00 2.51 C ATOM 2924 CD2 LEU B 88 19.502 -9.098 4.986 1.00 3.05 C ATOM 0 H LEU B 88 16.498 -6.203 5.225 1.00 4.74 H new ATOM 0 HA LEU B 88 18.967 -4.790 5.170 1.00 4.62 H new ATOM 0 HB2 LEU B 88 19.786 -6.839 6.057 1.00 2.38 H new ATOM 0 HB3 LEU B 88 18.207 -6.562 6.765 1.00 2.38 H new ATOM 0 HG LEU B 88 17.954 -8.677 6.447 1.00 1.86 H new ATOM 0 HD11 LEU B 88 16.914 -9.539 4.399 1.00 2.51 H new ATOM 0 HD12 LEU B 88 16.209 -8.025 5.014 1.00 2.51 H new ATOM 0 HD13 LEU B 88 17.290 -7.993 3.601 1.00 2.51 H new ATOM 0 HD21 LEU B 88 19.182 -10.113 4.750 1.00 3.05 H new ATOM 0 HD22 LEU B 88 19.907 -8.628 4.090 1.00 3.05 H new ATOM 0 HD23 LEU B 88 20.271 -9.130 5.758 1.00 3.05 H new ATOM 2936 N GLU B 89 20.427 -5.863 3.392 1.00 6.61 N ATOM 2937 CA GLU B 89 21.220 -6.172 2.195 1.00 8.02 C ATOM 2938 C GLU B 89 21.464 -7.675 2.061 1.00 6.85 C ATOM 2939 O GLU B 89 22.533 -8.229 2.285 1.00 7.29 O ATOM 2940 CB GLU B 89 22.540 -5.430 2.233 1.00 9.30 C ATOM 2941 CG GLU B 89 22.419 -3.954 1.833 1.00 11.60 C ATOM 2942 CD GLU B 89 22.471 -3.807 0.311 1.00 12.52 C ATOM 2943 OE1 GLU B 89 21.743 -4.521 -0.415 1.00 12.14 O ATOM 2944 OE2 GLU B 89 23.341 -3.069 -0.199 1.00 13.83 O ATOM 0 H GLU B 89 20.997 -5.587 4.192 1.00 6.61 H new ATOM 0 HA GLU B 89 20.652 -5.845 1.324 1.00 8.02 H new ATOM 0 HB2 GLU B 89 22.956 -5.494 3.239 1.00 9.30 H new ATOM 0 HB3 GLU B 89 23.246 -5.924 1.565 1.00 9.30 H new ATOM 0 HG2 GLU B 89 21.483 -3.544 2.212 1.00 11.60 H new ATOM 0 HG3 GLU B 89 23.226 -3.380 2.288 1.00 11.60 H new ATOM 2951 N ASP B 90 20.378 -8.312 1.679 1.00 5.87 N ATOM 2952 CA ASP B 90 20.187 -9.740 1.383 1.00 5.74 C ATOM 2953 C ASP B 90 20.854 -10.140 0.046 1.00 6.04 C ATOM 2954 O ASP B 90 20.272 -10.816 -0.802 1.00 6.95 O ATOM 2955 CB ASP B 90 18.674 -10.003 1.400 1.00 7.09 C ATOM 2956 CG ASP B 90 18.310 -11.453 1.708 1.00 7.50 C ATOM 2957 OD1 ASP B 90 18.408 -11.839 2.896 1.00 7.33 O ATOM 2958 OD2 ASP B 90 17.771 -12.141 0.818 1.00 8.71 O ATOM 0 H ASP B 90 19.506 -7.798 1.551 1.00 5.87 H new ATOM 0 HA ASP B 90 20.675 -10.362 2.133 1.00 5.74 H new ATOM 0 HB2 ASP B 90 18.209 -9.355 2.143 1.00 7.09 H new ATOM 0 HB3 ASP B 90 18.255 -9.730 0.432 1.00 7.09 H new ATOM 2963 N ASN B 91 22.038 -9.581 -0.208 1.00 5.88 N ATOM 2964 CA ASN B 91 22.495 -9.269 -1.563 1.00 6.71 C ATOM 2965 C ASN B 91 24.021 -9.075 -1.683 1.00 6.52 C ATOM 2966 O ASN B 91 24.503 -8.766 -2.774 1.00 7.36 O ATOM 2967 CB ASN B 91 21.709 -8.018 -2.025 1.00 7.75 C ATOM 2968 CG ASN B 91 21.724 -7.799 -3.531 1.00 9.18 C ATOM 2969 OD1 ASN B 91 22.219 -6.797 -4.038 1.00 10.08 O ATOM 2970 ND2 ASN B 91 21.157 -8.719 -4.290 1.00 9.78 N ATOM 0 H ASN B 91 22.707 -9.332 0.520 1.00 5.88 H new ATOM 0 HA ASN B 91 22.295 -10.121 -2.213 1.00 6.71 H new ATOM 0 HB2 ASN B 91 20.675 -8.107 -1.691 1.00 7.75 H new ATOM 0 HB3 ASN B 91 22.127 -7.138 -1.536 1.00 7.75 H new ATOM 0 HD21 ASN B 91 21.129 -8.599 -5.302 1.00 9.78 H new ATOM 0 HD22 ASN B 91 20.747 -9.550 -3.864 1.00 9.78 H new ATOM 2977 N LYS B 92 24.777 -9.213 -0.581 1.00 6.08 N ATOM 2978 CA LYS B 92 26.246 -9.121 -0.514 1.00 6.90 C ATOM 2979 C LYS B 92 26.815 -10.166 0.447 1.00 7.31 C ATOM 2980 O LYS B 92 27.851 -10.750 0.071 1.00 8.53 O ATOM 2981 CB LYS B 92 26.700 -7.708 -0.094 1.00 7.49 C ATOM 2982 CG LYS B 92 26.468 -6.660 -1.192 1.00 8.57 C ATOM 2983 CD LYS B 92 25.132 -5.909 -1.078 1.00 8.69 C ATOM 2984 CE LYS B 92 24.688 -5.450 -2.471 1.00 10.09 C ATOM 2985 NZ LYS B 92 23.473 -4.611 -2.408 1.00 10.50 N ATOM 2986 OXT LYS B 92 26.205 -10.343 1.521 1.00 7.16 O ATOM 0 H LYS B 92 24.361 -9.401 0.331 1.00 6.08 H new ATOM 0 HA LYS B 92 26.632 -9.320 -1.514 1.00 6.90 H new ATOM 0 HB2 LYS B 92 26.162 -7.410 0.806 1.00 7.49 H new ATOM 0 HB3 LYS B 92 27.759 -7.732 0.161 1.00 7.49 H new ATOM 0 HG2 LYS B 92 27.282 -5.936 -1.164 1.00 8.57 H new ATOM 0 HG3 LYS B 92 26.513 -7.153 -2.163 1.00 8.57 H new ATOM 0 HD2 LYS B 92 24.374 -6.557 -0.637 1.00 8.69 H new ATOM 0 HD3 LYS B 92 25.240 -5.049 -0.417 1.00 8.69 H new ATOM 0 HE2 LYS B 92 25.494 -4.888 -2.943 1.00 10.09 H new ATOM 0 HE3 LYS B 92 24.497 -6.321 -3.098 1.00 10.09 H new ATOM 0 HZ1 LYS B 92 23.163 -4.375 -3.372 1.00 10.50 H new ATOM 0 HZ2 LYS B 92 22.717 -5.131 -1.919 1.00 10.50 H new ATOM 0 HZ3 LYS B 92 23.683 -3.735 -1.888 1.00 10.50 H new TER 3000 LYS B 92