USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1371 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 80 CYS SG : rot 180:sc= 0.00688 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.00586 K(o=0.013,f=-0.63) USER MOD Set 2.1: B 62 ASN : amide:sc= 0.461 K(o=2.1,f=-4!) USER MOD Set 2.2: B 65 GLN : amide:sc= 1.64 K(o=2.1,f=-5.2) USER MOD Set 3.1: B 58 SER OG : rot 143:sc= 2.3 USER MOD Set 3.2: B 61 LYS NZ :NH3+ -144:sc= 1.17 (180deg=0) USER MOD Set 4.1: A 77 THR OG1 : rot 81:sc= 1.96 USER MOD Set 4.2: B 73 SER OG : rot 160:sc= 0.826 USER MOD Set 5.1: A 62 ASN : amide:sc= 0.702 K(o=0.91,f=-0.19) USER MOD Set 5.2: A 65 GLN : amide:sc= 0.213 K(o=0.91,f=-0.19) USER MOD Set 6.1: A 19 TYR OH : rot -15:sc= 1.69 USER MOD Set 6.2: A 40 LYS NZ :NH3+ -145:sc= 0.244 (180deg=-0.346) USER MOD Set 7.1: A 32 LYS NZ :NH3+ 157:sc= -0.827 (180deg=-0.701!) USER MOD Set 7.2: A 63 SER OG : rot 66:sc= 1.56 USER MOD Set 8.1: A 17 HIS : no HD1:sc=-0.00536 K(o=1.1,f=0.53) USER MOD Set 8.2: A 20 SER OG : rot -48:sc= 1.07 USER MOD Set 9.1: A 15 THR OG1 : rot -87:sc= 1.26 USER MOD Set 9.2: A 72 TYR OH : rot 168:sc= 0.0763 USER MOD Single : A 3 THR OG1 : rot 140:sc= 1.42 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 2.15 (180deg=1.78) USER MOD Single : A 10 THR OG1 : rot 82:sc= 1.32 USER MOD Single : A 11 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 12 MET CE :methyl 168:sc= 0 (180deg=-0.0688) USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.17 USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= 0.805 (180deg=-0.784!) USER MOD Single : A 25 SER OG : rot -145:sc= 1.29 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -158:sc= 0.826 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.927 (180deg=0.857) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.94 (180deg=1.85) USER MOD Single : A 43 CYS SG : rot -164:sc= 0.116 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 1.29 (180deg=0.566) USER MOD Single : A 50 SER OG : rot 85:sc= 1.29 USER MOD Single : A 51 SER OG : rot -17:sc= 0.833 USER MOD Single : A 56 MET CE :methyl -139:sc= -0.79 (180deg=-2.29!) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.778) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= 0.448 (180deg=-1.37) USER MOD Single : A 73 SER OG : rot -46:sc= 1.19 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -26:sc=-6.76e-06 USER MOD Single : A 81 MET CE :methyl -176:sc= -0.392 (180deg=-0.404) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.8!) USER MOD Single : B 3 THR OG1 : rot -78:sc= 1.76 USER MOD Single : B 7 LYS NZ :NH3+ -163:sc= 1.12 (180deg=1.01) USER MOD Single : B 10 THR OG1 : rot 86:sc= 1.23 USER MOD Single : B 11 THR OG1 : rot 81:sc= 1.22 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 84:sc= 1.27 USER MOD Single : B 15 THR OG1 : rot 79:sc= 1.22 USER MOD Single : B 17 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-1.6) USER MOD Single : B 18 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.602) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 160:sc= 1.22 USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ 173:sc= 1.35 (180deg=1.28) USER MOD Single : B 28 THR OG1 : rot 93:sc= 1.25 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -173:sc= 0.897 (180deg=0.763) USER MOD Single : B 35 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.635) USER MOD Single : B 39 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.09) USER MOD Single : B 40 LYS NZ :NH3+ -168:sc= -0.414 (180deg=-0.99) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.0196 USER MOD Single : B 47 MET CE :methyl 166:sc= -0.194 (180deg=-0.579) USER MOD Single : B 48 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.2) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 161:sc= 1.02 (180deg=0.384) USER MOD Single : B 63 SER OG : rot -20:sc= 0.901 USER MOD Single : B 70 LYS NZ :NH3+ -177:sc= 2.56 (180deg=2.49) USER MOD Single : B 72 TYR OH : rot 101:sc= -0.0336 USER MOD Single : B 77 THR OG1 : rot 80:sc= 1.27 USER MOD Single : B 78 MET CE :methyl 168:sc= 0 (180deg=-0.274) USER MOD Single : B 81 MET CE :methyl -138:sc= -0.0125 (180deg=-0.108) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 10.382 4.180 21.008 1.00 1.77 N ATOM 18 CA GLU A 2 9.771 5.107 21.955 1.00 1.93 C ATOM 19 C GLU A 2 8.416 5.593 21.463 1.00 1.20 C ATOM 20 O GLU A 2 7.438 5.605 22.211 1.00 1.56 O ATOM 21 CB GLU A 2 10.730 6.297 22.103 1.00 3.61 C ATOM 22 CG GLU A 2 11.955 6.018 22.979 1.00 4.78 C ATOM 23 CD GLU A 2 12.581 4.638 22.771 1.00 5.21 C ATOM 24 OE1 GLU A 2 13.293 4.421 21.766 1.00 5.72 O ATOM 25 OE2 GLU A 2 12.228 3.688 23.499 1.00 5.54 O ATOM 0 HA GLU A 2 9.605 4.607 22.909 1.00 1.93 H new ATOM 0 HB2 GLU A 2 11.069 6.600 21.112 1.00 3.61 H new ATOM 0 HB3 GLU A 2 10.182 7.140 22.524 1.00 3.61 H new ATOM 0 HG2 GLU A 2 12.709 6.779 22.780 1.00 4.78 H new ATOM 0 HG3 GLU A 2 11.668 6.119 24.026 1.00 4.78 H new ATOM 32 N THR A 3 8.352 5.985 20.192 1.00 0.87 N ATOM 33 CA THR A 3 7.337 6.965 19.734 1.00 0.72 C ATOM 34 C THR A 3 6.104 6.295 19.119 1.00 0.84 C ATOM 35 O THR A 3 6.162 5.099 18.843 1.00 1.05 O ATOM 36 CB THR A 3 7.941 8.050 18.832 1.00 0.91 C ATOM 37 OG1 THR A 3 7.814 7.706 17.477 1.00 1.22 O ATOM 38 CG2 THR A 3 9.399 8.377 19.149 1.00 1.18 C ATOM 0 H THR A 3 8.978 5.651 19.459 1.00 0.87 H new ATOM 0 HA THR A 3 6.979 7.478 20.627 1.00 0.72 H new ATOM 0 HB THR A 3 7.366 8.952 19.040 1.00 0.91 H new ATOM 0 HG1 THR A 3 7.586 8.505 16.957 1.00 1.22 H new ATOM 0 HG21 THR A 3 9.754 9.152 18.470 1.00 1.18 H new ATOM 0 HG22 THR A 3 9.477 8.732 20.177 1.00 1.18 H new ATOM 0 HG23 THR A 3 10.008 7.481 19.027 1.00 1.18 H new ATOM 46 N PRO A 4 4.966 6.999 18.912 1.00 0.94 N ATOM 47 CA PRO A 4 3.769 6.391 18.339 1.00 1.17 C ATOM 48 C PRO A 4 3.842 6.277 16.813 1.00 1.10 C ATOM 49 O PRO A 4 3.369 5.281 16.268 1.00 1.13 O ATOM 50 CB PRO A 4 2.611 7.284 18.789 1.00 1.53 C ATOM 51 CG PRO A 4 3.251 8.666 18.910 1.00 1.44 C ATOM 52 CD PRO A 4 4.681 8.358 19.357 1.00 1.07 C ATOM 0 HA PRO A 4 3.646 5.364 18.682 1.00 1.17 H new ATOM 0 HB2 PRO A 4 1.797 7.281 18.064 1.00 1.53 H new ATOM 0 HB3 PRO A 4 2.193 6.951 19.739 1.00 1.53 H new ATOM 0 HG2 PRO A 4 3.234 9.201 17.961 1.00 1.44 H new ATOM 0 HG3 PRO A 4 2.728 9.288 19.636 1.00 1.44 H new ATOM 0 HD2 PRO A 4 5.386 9.066 18.920 1.00 1.07 H new ATOM 0 HD3 PRO A 4 4.776 8.440 20.440 1.00 1.07 H new ATOM 60 N LEU A 5 4.440 7.251 16.110 1.00 1.10 N ATOM 61 CA LEU A 5 4.583 7.205 14.648 1.00 1.14 C ATOM 62 C LEU A 5 5.651 6.184 14.233 1.00 0.90 C ATOM 63 O LEU A 5 5.422 5.407 13.307 1.00 0.90 O ATOM 64 CB LEU A 5 4.792 8.636 14.121 1.00 1.53 C ATOM 65 CG LEU A 5 4.811 8.835 12.584 1.00 1.73 C ATOM 66 CD1 LEU A 5 3.892 7.918 11.764 1.00 2.26 C ATOM 67 CD2 LEU A 5 4.343 10.263 12.270 1.00 3.15 C ATOM 0 H LEU A 5 4.836 8.088 16.537 1.00 1.10 H new ATOM 0 HA LEU A 5 3.672 6.838 14.174 1.00 1.14 H new ATOM 0 HB2 LEU A 5 4.002 9.265 14.532 1.00 1.53 H new ATOM 0 HB3 LEU A 5 5.736 9.007 14.520 1.00 1.53 H new ATOM 0 HG LEU A 5 5.838 8.605 12.300 1.00 1.73 H new ATOM 0 HD11 LEU A 5 3.994 8.153 10.705 1.00 2.26 H new ATOM 0 HD12 LEU A 5 4.171 6.878 11.933 1.00 2.26 H new ATOM 0 HD13 LEU A 5 2.857 8.071 12.071 1.00 2.26 H new ATOM 0 HD21 LEU A 5 4.351 10.419 11.191 1.00 3.15 H new ATOM 0 HD22 LEU A 5 3.332 10.406 12.650 1.00 3.15 H new ATOM 0 HD23 LEU A 5 5.014 10.979 12.745 1.00 3.15 H new ATOM 79 N GLU A 6 6.702 6.016 15.034 1.00 0.89 N ATOM 80 CA GLU A 6 7.550 4.828 14.990 1.00 0.99 C ATOM 81 C GLU A 6 6.728 3.521 15.075 1.00 0.96 C ATOM 82 O GLU A 6 7.031 2.574 14.345 1.00 1.07 O ATOM 83 CB GLU A 6 8.546 4.938 16.146 1.00 1.27 C ATOM 84 CG GLU A 6 9.501 3.752 16.314 1.00 1.40 C ATOM 85 CD GLU A 6 9.865 3.611 17.784 1.00 2.78 C ATOM 86 OE1 GLU A 6 8.948 3.371 18.596 1.00 3.92 O ATOM 87 OE2 GLU A 6 11.052 3.712 18.139 1.00 3.65 O ATOM 0 H GLU A 6 6.989 6.702 15.733 1.00 0.89 H new ATOM 0 HA GLU A 6 8.074 4.782 14.035 1.00 0.99 H new ATOM 0 HB2 GLU A 6 9.139 5.842 16.006 1.00 1.27 H new ATOM 0 HB3 GLU A 6 7.987 5.065 17.073 1.00 1.27 H new ATOM 0 HG2 GLU A 6 9.031 2.837 15.953 1.00 1.40 H new ATOM 0 HG3 GLU A 6 10.400 3.905 15.717 1.00 1.40 H new ATOM 94 N LYS A 7 5.645 3.427 15.874 1.00 0.92 N ATOM 95 CA LYS A 7 4.839 2.188 15.900 1.00 1.07 C ATOM 96 C LYS A 7 3.998 2.008 14.620 1.00 1.02 C ATOM 97 O LYS A 7 3.660 0.881 14.255 1.00 1.13 O ATOM 98 CB LYS A 7 3.933 2.061 17.142 1.00 1.33 C ATOM 99 CG LYS A 7 4.554 2.296 18.508 1.00 1.76 C ATOM 100 CD LYS A 7 5.918 1.626 18.682 1.00 2.69 C ATOM 101 CE LYS A 7 6.300 1.726 20.154 1.00 3.67 C ATOM 102 NZ LYS A 7 7.022 2.983 20.446 1.00 4.40 N ATOM 0 H LYS A 7 5.315 4.169 16.492 1.00 0.92 H new ATOM 0 HA LYS A 7 5.576 1.387 15.953 1.00 1.07 H new ATOM 0 HB2 LYS A 7 3.108 2.763 17.026 1.00 1.33 H new ATOM 0 HB3 LYS A 7 3.502 1.060 17.139 1.00 1.33 H new ATOM 0 HG2 LYS A 7 4.662 3.369 18.670 1.00 1.76 H new ATOM 0 HG3 LYS A 7 3.875 1.925 19.276 1.00 1.76 H new ATOM 0 HD2 LYS A 7 5.874 0.583 18.368 1.00 2.69 H new ATOM 0 HD3 LYS A 7 6.667 2.115 18.059 1.00 2.69 H new ATOM 0 HE2 LYS A 7 5.401 1.671 20.768 1.00 3.67 H new ATOM 0 HE3 LYS A 7 6.925 0.875 20.427 1.00 3.67 H new ATOM 0 HZ1 LYS A 7 7.102 3.106 21.476 1.00 4.40 H new ATOM 0 HZ2 LYS A 7 7.973 2.942 20.027 1.00 4.40 H new ATOM 0 HZ3 LYS A 7 6.499 3.786 20.041 1.00 4.40 H new ATOM 116 N ALA A 8 3.682 3.092 13.912 1.00 0.96 N ATOM 117 CA ALA A 8 3.015 3.068 12.611 1.00 1.00 C ATOM 118 C ALA A 8 3.957 2.644 11.478 1.00 0.77 C ATOM 119 O ALA A 8 3.586 1.776 10.691 1.00 0.70 O ATOM 120 CB ALA A 8 2.388 4.441 12.386 1.00 1.43 C ATOM 0 H ALA A 8 3.889 4.037 14.237 1.00 0.96 H new ATOM 0 HA ALA A 8 2.232 2.309 12.607 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.881 4.456 11.421 1.00 1.43 H new ATOM 0 HB2 ALA A 8 1.667 4.646 13.178 1.00 1.43 H new ATOM 0 HB3 ALA A 8 3.167 5.203 12.398 1.00 1.43 H new ATOM 126 N LEU A 9 5.193 3.154 11.445 1.00 0.83 N ATOM 127 CA LEU A 9 6.244 2.636 10.553 1.00 0.91 C ATOM 128 C LEU A 9 6.549 1.164 10.867 1.00 0.84 C ATOM 129 O LEU A 9 6.610 0.355 9.936 1.00 0.89 O ATOM 130 CB LEU A 9 7.511 3.517 10.637 1.00 1.12 C ATOM 131 CG LEU A 9 7.565 4.724 9.673 1.00 1.26 C ATOM 132 CD1 LEU A 9 7.611 4.273 8.204 1.00 1.29 C ATOM 133 CD2 LEU A 9 6.411 5.711 9.892 1.00 1.37 C ATOM 0 H LEU A 9 5.495 3.933 12.031 1.00 0.83 H new ATOM 0 HA LEU A 9 5.882 2.680 9.526 1.00 0.91 H new ATOM 0 HB2 LEU A 9 7.603 3.889 11.658 1.00 1.12 H new ATOM 0 HB3 LEU A 9 8.380 2.887 10.447 1.00 1.12 H new ATOM 0 HG LEU A 9 8.491 5.251 9.904 1.00 1.26 H new ATOM 0 HD11 LEU A 9 7.648 5.148 7.556 1.00 1.29 H new ATOM 0 HD12 LEU A 9 8.498 3.661 8.039 1.00 1.29 H new ATOM 0 HD13 LEU A 9 6.720 3.689 7.975 1.00 1.29 H new ATOM 0 HD21 LEU A 9 6.501 6.538 9.187 1.00 1.37 H new ATOM 0 HD22 LEU A 9 5.461 5.201 9.734 1.00 1.37 H new ATOM 0 HD23 LEU A 9 6.450 6.097 10.911 1.00 1.37 H new ATOM 145 N THR A 10 6.621 0.801 12.160 1.00 0.81 N ATOM 146 CA THR A 10 6.658 -0.599 12.628 1.00 0.85 C ATOM 147 C THR A 10 5.514 -1.400 12.009 1.00 0.80 C ATOM 148 O THR A 10 5.785 -2.370 11.311 1.00 1.00 O ATOM 149 CB THR A 10 6.659 -0.719 14.158 1.00 0.89 C ATOM 150 OG1 THR A 10 7.737 0.008 14.707 1.00 1.12 O ATOM 151 CG2 THR A 10 6.846 -2.170 14.605 1.00 1.18 C ATOM 0 H THR A 10 6.656 1.480 12.921 1.00 0.81 H new ATOM 0 HA THR A 10 7.605 -1.022 12.292 1.00 0.85 H new ATOM 0 HB THR A 10 5.699 -0.334 14.501 1.00 0.89 H new ATOM 0 HG1 THR A 10 7.492 0.954 14.777 1.00 1.12 H new ATOM 0 HG21 THR A 10 6.842 -2.219 15.694 1.00 1.18 H new ATOM 0 HG22 THR A 10 6.033 -2.780 14.211 1.00 1.18 H new ATOM 0 HG23 THR A 10 7.797 -2.547 14.229 1.00 1.18 H new ATOM 159 N THR A 11 4.260 -0.946 12.143 1.00 0.68 N ATOM 160 CA THR A 11 3.069 -1.598 11.556 1.00 0.66 C ATOM 161 C THR A 11 3.235 -1.818 10.055 1.00 0.62 C ATOM 162 O THR A 11 2.918 -2.902 9.569 1.00 0.63 O ATOM 163 CB THR A 11 1.794 -0.792 11.838 1.00 0.66 C ATOM 164 OG1 THR A 11 1.603 -0.672 13.224 1.00 0.89 O ATOM 165 CG2 THR A 11 0.529 -1.448 11.281 1.00 0.73 C ATOM 0 H THR A 11 4.035 -0.102 12.670 1.00 0.68 H new ATOM 0 HA THR A 11 2.971 -2.573 12.034 1.00 0.66 H new ATOM 0 HB THR A 11 1.940 0.172 11.351 1.00 0.66 H new ATOM 0 HG1 THR A 11 2.294 -0.088 13.600 1.00 0.89 H new ATOM 0 HG21 THR A 11 -0.336 -0.827 11.515 1.00 0.73 H new ATOM 0 HG22 THR A 11 0.619 -1.552 10.200 1.00 0.73 H new ATOM 0 HG23 THR A 11 0.401 -2.433 11.731 1.00 0.73 H new ATOM 173 N MET A 12 3.777 -0.838 9.325 1.00 0.62 N ATOM 174 CA MET A 12 4.043 -0.948 7.885 1.00 0.63 C ATOM 175 C MET A 12 5.118 -1.991 7.560 1.00 0.73 C ATOM 176 O MET A 12 4.877 -2.804 6.669 1.00 0.75 O ATOM 177 CB MET A 12 4.405 0.418 7.286 1.00 0.67 C ATOM 178 CG MET A 12 3.199 1.355 7.308 1.00 1.01 C ATOM 179 SD MET A 12 3.600 3.064 6.875 1.00 1.37 S ATOM 180 CE MET A 12 2.564 3.256 5.408 1.00 0.72 C ATOM 0 H MET A 12 4.046 0.063 9.720 1.00 0.62 H new ATOM 0 HA MET A 12 3.119 -1.296 7.423 1.00 0.63 H new ATOM 0 HB2 MET A 12 5.226 0.861 7.849 1.00 0.67 H new ATOM 0 HB3 MET A 12 4.754 0.290 6.261 1.00 0.67 H new ATOM 0 HG2 MET A 12 2.446 0.981 6.614 1.00 1.01 H new ATOM 0 HG3 MET A 12 2.753 1.336 8.303 1.00 1.01 H new ATOM 0 HE1 MET A 12 2.519 4.309 5.130 1.00 0.72 H new ATOM 0 HE2 MET A 12 2.989 2.681 4.585 1.00 0.72 H new ATOM 0 HE3 MET A 12 1.559 2.894 5.623 1.00 0.72 H new ATOM 190 N VAL A 13 6.260 -2.032 8.263 1.00 0.81 N ATOM 191 CA VAL A 13 7.265 -3.091 8.017 1.00 0.90 C ATOM 192 C VAL A 13 6.732 -4.475 8.414 1.00 0.91 C ATOM 193 O VAL A 13 6.993 -5.441 7.696 1.00 0.97 O ATOM 194 CB VAL A 13 8.666 -2.865 8.641 1.00 0.95 C ATOM 195 CG1 VAL A 13 9.409 -1.704 7.970 1.00 0.97 C ATOM 196 CG2 VAL A 13 8.692 -2.649 10.158 1.00 1.04 C ATOM 0 H VAL A 13 6.512 -1.364 8.991 1.00 0.81 H new ATOM 0 HA VAL A 13 7.424 -3.038 6.940 1.00 0.90 H new ATOM 0 HB VAL A 13 9.172 -3.812 8.453 1.00 0.95 H new ATOM 0 HG11 VAL A 13 10.386 -1.579 8.437 1.00 0.97 H new ATOM 0 HG12 VAL A 13 9.538 -1.919 6.909 1.00 0.97 H new ATOM 0 HG13 VAL A 13 8.832 -0.787 8.086 1.00 0.97 H new ATOM 0 HG21 VAL A 13 9.721 -2.501 10.487 1.00 1.04 H new ATOM 0 HG22 VAL A 13 8.100 -1.769 10.410 1.00 1.04 H new ATOM 0 HG23 VAL A 13 8.273 -3.523 10.657 1.00 1.04 H new ATOM 206 N THR A 14 5.935 -4.581 9.491 1.00 0.88 N ATOM 207 CA THR A 14 5.285 -5.830 9.918 1.00 0.92 C ATOM 208 C THR A 14 4.346 -6.359 8.842 1.00 0.94 C ATOM 209 O THR A 14 4.474 -7.522 8.473 1.00 1.10 O ATOM 210 CB THR A 14 4.550 -5.614 11.247 1.00 0.92 C ATOM 211 OG1 THR A 14 5.507 -5.314 12.230 1.00 1.11 O ATOM 212 CG2 THR A 14 3.787 -6.848 11.729 1.00 1.13 C ATOM 0 H THR A 14 5.722 -3.789 10.098 1.00 0.88 H new ATOM 0 HA THR A 14 6.055 -6.586 10.071 1.00 0.92 H new ATOM 0 HB THR A 14 3.829 -4.813 11.085 1.00 0.92 H new ATOM 0 HG1 THR A 14 5.779 -4.376 12.147 1.00 1.11 H new ATOM 0 HG21 THR A 14 3.292 -6.623 12.674 1.00 1.13 H new ATOM 0 HG22 THR A 14 3.041 -7.128 10.985 1.00 1.13 H new ATOM 0 HG23 THR A 14 4.484 -7.674 11.872 1.00 1.13 H new ATOM 220 N THR A 15 3.445 -5.521 8.317 1.00 0.82 N ATOM 221 CA THR A 15 2.459 -5.894 7.280 1.00 0.79 C ATOM 222 C THR A 15 3.083 -6.189 5.925 1.00 0.80 C ATOM 223 O THR A 15 2.574 -7.047 5.214 1.00 0.92 O ATOM 224 CB THR A 15 1.364 -4.837 7.112 1.00 0.73 C ATOM 225 OG1 THR A 15 1.917 -3.547 7.180 1.00 1.29 O ATOM 226 CG2 THR A 15 0.303 -4.978 8.198 1.00 1.05 C ATOM 0 H THR A 15 3.374 -4.544 8.602 1.00 0.82 H new ATOM 0 HA THR A 15 2.013 -6.817 7.649 1.00 0.79 H new ATOM 0 HB THR A 15 0.901 -4.989 6.137 1.00 0.73 H new ATOM 0 HG1 THR A 15 1.951 -3.255 8.115 1.00 1.29 H new ATOM 0 HG21 THR A 15 -0.464 -4.217 8.058 1.00 1.05 H new ATOM 0 HG22 THR A 15 -0.152 -5.967 8.136 1.00 1.05 H new ATOM 0 HG23 THR A 15 0.765 -4.852 9.177 1.00 1.05 H new ATOM 234 N PHE A 16 4.192 -5.538 5.577 1.00 0.79 N ATOM 235 CA PHE A 16 4.984 -5.885 4.396 1.00 0.79 C ATOM 236 C PHE A 16 5.671 -7.256 4.585 1.00 0.77 C ATOM 237 O PHE A 16 5.575 -8.147 3.740 1.00 0.71 O ATOM 238 CB PHE A 16 5.988 -4.740 4.188 1.00 0.82 C ATOM 239 CG PHE A 16 6.985 -4.939 3.069 1.00 0.89 C ATOM 240 CD1 PHE A 16 8.189 -5.624 3.325 1.00 2.07 C ATOM 241 CD2 PHE A 16 6.730 -4.419 1.784 1.00 1.62 C ATOM 242 CE1 PHE A 16 9.120 -5.816 2.294 1.00 2.20 C ATOM 243 CE2 PHE A 16 7.674 -4.595 0.758 1.00 1.55 C ATOM 244 CZ PHE A 16 8.861 -5.303 1.016 1.00 1.06 C ATOM 0 H PHE A 16 4.568 -4.752 6.107 1.00 0.79 H new ATOM 0 HA PHE A 16 4.361 -5.991 3.508 1.00 0.79 H new ATOM 0 HB2 PHE A 16 5.431 -3.823 3.995 1.00 0.82 H new ATOM 0 HB3 PHE A 16 6.537 -4.590 5.117 1.00 0.82 H new ATOM 0 HD1 PHE A 16 8.395 -6.001 4.316 1.00 2.07 H new ATOM 0 HD2 PHE A 16 5.811 -3.886 1.588 1.00 1.62 H new ATOM 0 HE1 PHE A 16 10.035 -6.358 2.485 1.00 2.20 H new ATOM 0 HE2 PHE A 16 7.488 -4.188 -0.225 1.00 1.55 H new ATOM 0 HZ PHE A 16 9.579 -5.453 0.223 1.00 1.06 H new ATOM 254 N HIS A 17 6.312 -7.457 5.738 1.00 0.88 N ATOM 255 CA HIS A 17 6.960 -8.718 6.092 1.00 0.91 C ATOM 256 C HIS A 17 5.960 -9.894 6.192 1.00 0.94 C ATOM 257 O HIS A 17 6.336 -11.041 5.946 1.00 1.02 O ATOM 258 CB HIS A 17 7.754 -8.524 7.394 1.00 1.06 C ATOM 259 CG HIS A 17 8.601 -9.706 7.797 1.00 1.13 C ATOM 260 ND1 HIS A 17 8.146 -10.879 8.358 1.00 1.70 N ATOM 261 CD2 HIS A 17 9.961 -9.816 7.693 1.00 1.55 C ATOM 262 CE1 HIS A 17 9.206 -11.673 8.585 1.00 2.00 C ATOM 263 NE2 HIS A 17 10.338 -11.058 8.219 1.00 1.77 N ATOM 0 H HIS A 17 6.396 -6.740 6.459 1.00 0.88 H new ATOM 0 HA HIS A 17 7.646 -8.992 5.291 1.00 0.91 H new ATOM 0 HB2 HIS A 17 8.399 -7.652 7.284 1.00 1.06 H new ATOM 0 HB3 HIS A 17 7.055 -8.303 8.201 1.00 1.06 H new ATOM 0 HD2 HIS A 17 10.627 -9.074 7.278 1.00 1.55 H new ATOM 0 HE1 HIS A 17 9.153 -12.667 9.004 1.00 2.00 H new ATOM 0 HE2 HIS A 17 11.287 -11.422 8.306 1.00 1.77 H new ATOM 272 N LYS A 18 4.682 -9.625 6.487 1.00 1.00 N ATOM 273 CA LYS A 18 3.586 -10.602 6.540 1.00 1.13 C ATOM 274 C LYS A 18 3.381 -11.367 5.215 1.00 1.00 C ATOM 275 O LYS A 18 2.857 -12.471 5.254 1.00 1.24 O ATOM 276 CB LYS A 18 2.312 -9.854 6.994 1.00 1.30 C ATOM 277 CG LYS A 18 1.160 -10.702 7.562 1.00 1.34 C ATOM 278 CD LYS A 18 0.141 -11.179 6.512 1.00 1.80 C ATOM 279 CE LYS A 18 -1.123 -11.725 7.184 1.00 2.18 C ATOM 280 NZ LYS A 18 -2.040 -10.629 7.575 1.00 2.92 N ATOM 0 H LYS A 18 4.369 -8.679 6.705 1.00 1.00 H new ATOM 0 HA LYS A 18 3.838 -11.383 7.258 1.00 1.13 H new ATOM 0 HB2 LYS A 18 2.600 -9.126 7.752 1.00 1.30 H new ATOM 0 HB3 LYS A 18 1.929 -9.292 6.142 1.00 1.30 H new ATOM 0 HG2 LYS A 18 1.580 -11.573 8.064 1.00 1.34 H new ATOM 0 HG3 LYS A 18 0.636 -10.119 8.320 1.00 1.34 H new ATOM 0 HD2 LYS A 18 -0.122 -10.352 5.852 1.00 1.80 H new ATOM 0 HD3 LYS A 18 0.590 -11.953 5.889 1.00 1.80 H new ATOM 0 HE2 LYS A 18 -1.635 -12.405 6.503 1.00 2.18 H new ATOM 0 HE3 LYS A 18 -0.848 -12.304 8.066 1.00 2.18 H new ATOM 0 HZ1 LYS A 18 -2.469 -10.847 8.497 1.00 2.92 H new ATOM 0 HZ2 LYS A 18 -1.507 -9.738 7.643 1.00 2.92 H new ATOM 0 HZ3 LYS A 18 -2.789 -10.531 6.860 1.00 2.92 H new ATOM 294 N TYR A 19 3.803 -10.810 4.070 1.00 0.75 N ATOM 295 CA TYR A 19 3.761 -11.467 2.745 1.00 0.83 C ATOM 296 C TYR A 19 5.149 -11.935 2.263 1.00 1.10 C ATOM 297 O TYR A 19 5.256 -12.864 1.473 1.00 1.58 O ATOM 298 CB TYR A 19 3.098 -10.495 1.753 1.00 0.78 C ATOM 299 CG TYR A 19 1.614 -10.327 2.034 1.00 0.68 C ATOM 300 CD1 TYR A 19 1.169 -9.408 3.003 1.00 1.87 C ATOM 301 CD2 TYR A 19 0.682 -11.171 1.398 1.00 1.71 C ATOM 302 CE1 TYR A 19 -0.185 -9.366 3.373 1.00 1.86 C ATOM 303 CE2 TYR A 19 -0.677 -11.137 1.766 1.00 1.76 C ATOM 304 CZ TYR A 19 -1.114 -10.252 2.783 1.00 0.72 C ATOM 305 OH TYR A 19 -2.404 -10.283 3.221 1.00 0.81 O ATOM 0 H TYR A 19 4.193 -9.868 4.033 1.00 0.75 H new ATOM 0 HA TYR A 19 3.172 -12.381 2.818 1.00 0.83 H new ATOM 0 HB2 TYR A 19 3.591 -9.525 1.811 1.00 0.78 H new ATOM 0 HB3 TYR A 19 3.236 -10.863 0.736 1.00 0.78 H new ATOM 0 HD1 TYR A 19 1.873 -8.731 3.465 1.00 1.87 H new ATOM 0 HD2 TYR A 19 1.012 -11.848 0.624 1.00 1.71 H new ATOM 0 HE1 TYR A 19 -0.518 -8.653 4.112 1.00 1.86 H new ATOM 0 HE2 TYR A 19 -1.386 -11.785 1.273 1.00 1.76 H new ATOM 0 HH TYR A 19 -2.469 -9.819 4.082 1.00 0.81 H new ATOM 315 N SER A 20 6.219 -11.357 2.799 1.00 1.09 N ATOM 316 CA SER A 20 7.599 -11.856 2.647 1.00 1.46 C ATOM 317 C SER A 20 7.770 -13.280 3.235 1.00 1.54 C ATOM 318 O SER A 20 8.553 -14.101 2.758 1.00 1.92 O ATOM 319 CB SER A 20 8.540 -10.837 3.308 1.00 1.91 C ATOM 320 OG SER A 20 8.736 -11.055 4.705 1.00 3.23 O ATOM 0 H SER A 20 6.160 -10.510 3.365 1.00 1.09 H new ATOM 0 HA SER A 20 7.845 -11.952 1.590 1.00 1.46 H new ATOM 0 HB2 SER A 20 9.507 -10.870 2.806 1.00 1.91 H new ATOM 0 HB3 SER A 20 8.138 -9.835 3.159 1.00 1.91 H new ATOM 0 HG SER A 20 7.868 -11.193 5.139 1.00 3.23 H new ATOM 326 N GLY A 21 6.951 -13.619 4.240 1.00 1.74 N ATOM 327 CA GLY A 21 6.673 -14.998 4.628 1.00 2.37 C ATOM 328 C GLY A 21 5.633 -15.595 3.681 1.00 2.41 C ATOM 329 O GLY A 21 4.440 -15.372 3.870 1.00 3.76 O ATOM 0 H GLY A 21 6.460 -12.931 4.810 1.00 1.74 H new ATOM 0 HA2 GLY A 21 7.589 -15.587 4.597 1.00 2.37 H new ATOM 0 HA3 GLY A 21 6.307 -15.031 5.654 1.00 2.37 H new ATOM 332 N ARG A 22 6.090 -16.379 2.696 1.00 1.89 N ATOM 333 CA ARG A 22 5.235 -17.069 1.712 1.00 2.08 C ATOM 334 C ARG A 22 5.853 -18.384 1.205 1.00 2.52 C ATOM 335 O ARG A 22 5.239 -19.440 1.310 1.00 3.11 O ATOM 336 CB ARG A 22 4.840 -16.115 0.564 1.00 2.02 C ATOM 337 CG ARG A 22 6.011 -15.563 -0.274 1.00 3.12 C ATOM 338 CD ARG A 22 5.577 -14.493 -1.284 1.00 3.72 C ATOM 339 NE ARG A 22 4.457 -14.899 -2.146 1.00 3.82 N ATOM 340 CZ ARG A 22 4.396 -15.894 -3.028 1.00 4.29 C ATOM 341 NH1 ARG A 22 5.411 -16.701 -3.244 1.00 4.92 N ATOM 342 NH2 ARG A 22 3.283 -16.092 -3.696 1.00 4.83 N ATOM 0 H ARG A 22 7.084 -16.557 2.555 1.00 1.89 H new ATOM 0 HA ARG A 22 4.319 -17.361 2.225 1.00 2.08 H new ATOM 0 HB2 ARG A 22 4.156 -16.640 -0.102 1.00 2.02 H new ATOM 0 HB3 ARG A 22 4.291 -15.274 0.987 1.00 2.02 H new ATOM 0 HG2 ARG A 22 6.761 -15.140 0.395 1.00 3.12 H new ATOM 0 HG3 ARG A 22 6.488 -16.385 -0.807 1.00 3.12 H new ATOM 0 HD2 ARG A 22 5.295 -13.590 -0.742 1.00 3.72 H new ATOM 0 HD3 ARG A 22 6.430 -14.235 -1.912 1.00 3.72 H new ATOM 0 HE ARG A 22 3.609 -14.340 -2.055 1.00 3.82 H new ATOM 0 HH11 ARG A 22 6.282 -16.575 -2.728 1.00 4.92 H new ATOM 0 HH12 ARG A 22 5.328 -17.453 -3.928 1.00 4.92 H new ATOM 0 HH21 ARG A 22 2.478 -15.487 -3.536 1.00 4.83 H new ATOM 0 HH22 ARG A 22 3.224 -16.851 -4.375 1.00 4.83 H new ATOM 356 N GLU A 23 7.077 -18.308 0.690 1.00 2.59 N ATOM 357 CA GLU A 23 7.861 -19.387 0.091 1.00 3.31 C ATOM 358 C GLU A 23 9.335 -19.003 0.309 1.00 3.33 C ATOM 359 O GLU A 23 9.876 -19.260 1.381 1.00 3.84 O ATOM 360 CB GLU A 23 7.510 -19.574 -1.405 1.00 3.72 C ATOM 361 CG GLU A 23 6.109 -20.141 -1.682 1.00 4.34 C ATOM 362 CD GLU A 23 5.884 -20.295 -3.183 1.00 5.09 C ATOM 363 OE1 GLU A 23 6.375 -21.296 -3.737 1.00 6.04 O ATOM 364 OE2 GLU A 23 5.287 -19.363 -3.772 1.00 5.37 O ATOM 0 H GLU A 23 7.586 -17.424 0.679 1.00 2.59 H new ATOM 0 HA GLU A 23 7.644 -20.350 0.552 1.00 3.31 H new ATOM 0 HB2 GLU A 23 7.600 -18.610 -1.906 1.00 3.72 H new ATOM 0 HB3 GLU A 23 8.249 -20.237 -1.855 1.00 3.72 H new ATOM 0 HG2 GLU A 23 5.997 -21.107 -1.190 1.00 4.34 H new ATOM 0 HG3 GLU A 23 5.352 -19.479 -1.261 1.00 4.34 H new ATOM 371 N GLY A 24 9.939 -18.280 -0.641 1.00 3.28 N ATOM 372 CA GLY A 24 11.159 -17.486 -0.429 1.00 3.15 C ATOM 373 C GLY A 24 10.871 -15.991 -0.248 1.00 2.95 C ATOM 374 O GLY A 24 9.728 -15.555 -0.373 1.00 4.29 O ATOM 0 H GLY A 24 9.588 -18.228 -1.597 1.00 3.28 H new ATOM 0 HA2 GLY A 24 11.682 -17.860 0.451 1.00 3.15 H new ATOM 0 HA3 GLY A 24 11.828 -17.622 -1.279 1.00 3.15 H new ATOM 377 N SER A 25 11.943 -15.234 0.002 1.00 2.23 N ATOM 378 CA SER A 25 12.011 -13.763 -0.074 1.00 1.98 C ATOM 379 C SER A 25 11.408 -13.030 1.136 1.00 1.91 C ATOM 380 O SER A 25 10.434 -12.291 1.029 1.00 1.85 O ATOM 381 CB SER A 25 11.525 -13.222 -1.428 1.00 2.62 C ATOM 382 OG SER A 25 12.433 -13.639 -2.434 1.00 3.64 O ATOM 0 H SER A 25 12.834 -15.647 0.277 1.00 2.23 H new ATOM 0 HA SER A 25 13.073 -13.525 -0.014 1.00 1.98 H new ATOM 0 HB2 SER A 25 10.523 -13.592 -1.646 1.00 2.62 H new ATOM 0 HB3 SER A 25 11.464 -12.134 -1.401 1.00 2.62 H new ATOM 0 HG SER A 25 12.510 -12.939 -3.116 1.00 3.64 H new ATOM 388 N LYS A 26 12.095 -13.099 2.289 1.00 2.17 N ATOM 389 CA LYS A 26 11.755 -12.363 3.526 1.00 2.01 C ATOM 390 C LYS A 26 11.996 -10.836 3.404 1.00 1.99 C ATOM 391 O LYS A 26 11.767 -10.060 4.331 1.00 2.06 O ATOM 392 CB LYS A 26 12.531 -12.974 4.713 1.00 2.28 C ATOM 393 CG LYS A 26 14.033 -13.179 4.432 1.00 2.31 C ATOM 394 CD LYS A 26 14.872 -13.273 5.714 1.00 2.27 C ATOM 395 CE LYS A 26 16.349 -13.325 5.303 1.00 3.30 C ATOM 396 NZ LYS A 26 17.297 -13.196 6.433 1.00 3.74 N ATOM 0 H LYS A 26 12.925 -13.683 2.393 1.00 2.17 H new ATOM 0 HA LYS A 26 10.685 -12.473 3.702 1.00 2.01 H new ATOM 0 HB2 LYS A 26 12.418 -12.325 5.582 1.00 2.28 H new ATOM 0 HB3 LYS A 26 12.085 -13.934 4.972 1.00 2.28 H new ATOM 0 HG2 LYS A 26 14.167 -14.089 3.848 1.00 2.31 H new ATOM 0 HG3 LYS A 26 14.400 -12.353 3.823 1.00 2.31 H new ATOM 0 HD2 LYS A 26 14.684 -12.414 6.358 1.00 2.27 H new ATOM 0 HD3 LYS A 26 14.602 -14.162 6.283 1.00 2.27 H new ATOM 0 HE2 LYS A 26 16.539 -14.268 4.790 1.00 3.30 H new ATOM 0 HE3 LYS A 26 16.544 -12.527 4.587 1.00 3.30 H new ATOM 0 HZ1 LYS A 26 18.272 -13.240 6.075 1.00 3.74 H new ATOM 0 HZ2 LYS A 26 17.145 -12.285 6.911 1.00 3.74 H new ATOM 0 HZ3 LYS A 26 17.140 -13.972 7.108 1.00 3.74 H new ATOM 410 N LEU A 27 12.497 -10.423 2.237 1.00 2.11 N ATOM 411 CA LEU A 27 12.958 -9.091 1.865 1.00 2.31 C ATOM 412 C LEU A 27 11.941 -8.285 1.042 1.00 1.76 C ATOM 413 O LEU A 27 12.030 -7.057 1.034 1.00 1.88 O ATOM 414 CB LEU A 27 14.300 -9.249 1.105 1.00 3.15 C ATOM 415 CG LEU A 27 14.383 -10.296 -0.035 1.00 4.73 C ATOM 416 CD1 LEU A 27 15.252 -9.803 -1.201 1.00 5.69 C ATOM 417 CD2 LEU A 27 15.000 -11.612 0.469 1.00 6.12 C ATOM 0 H LEU A 27 12.598 -11.076 1.460 1.00 2.11 H new ATOM 0 HA LEU A 27 13.091 -8.510 2.777 1.00 2.31 H new ATOM 0 HB2 LEU A 27 14.559 -8.278 0.683 1.00 3.15 H new ATOM 0 HB3 LEU A 27 15.069 -9.494 1.837 1.00 3.15 H new ATOM 0 HG LEU A 27 13.360 -10.454 -0.375 1.00 4.73 H new ATOM 0 HD11 LEU A 27 15.284 -10.566 -1.979 1.00 5.69 H new ATOM 0 HD12 LEU A 27 14.827 -8.886 -1.609 1.00 5.69 H new ATOM 0 HD13 LEU A 27 16.263 -9.606 -0.844 1.00 5.69 H new ATOM 0 HD21 LEU A 27 15.047 -12.329 -0.350 1.00 6.12 H new ATOM 0 HD22 LEU A 27 16.006 -11.422 0.843 1.00 6.12 H new ATOM 0 HD23 LEU A 27 14.385 -12.018 1.272 1.00 6.12 H new ATOM 429 N THR A 28 11.004 -8.959 0.361 1.00 1.48 N ATOM 430 CA THR A 28 10.260 -8.441 -0.798 1.00 1.25 C ATOM 431 C THR A 28 8.948 -9.200 -1.001 1.00 1.14 C ATOM 432 O THR A 28 8.603 -10.082 -0.217 1.00 1.32 O ATOM 433 CB THR A 28 11.141 -8.518 -2.062 1.00 1.18 C ATOM 434 OG1 THR A 28 11.710 -9.799 -2.142 1.00 1.23 O ATOM 435 CG2 THR A 28 12.266 -7.487 -2.108 1.00 1.24 C ATOM 0 H THR A 28 10.733 -9.911 0.609 1.00 1.48 H new ATOM 0 HA THR A 28 10.006 -7.398 -0.607 1.00 1.25 H new ATOM 0 HB THR A 28 10.484 -8.303 -2.905 1.00 1.18 H new ATOM 0 HG1 THR A 28 12.513 -9.766 -2.703 1.00 1.23 H new ATOM 0 HG21 THR A 28 12.836 -7.611 -3.029 1.00 1.24 H new ATOM 0 HG22 THR A 28 11.841 -6.484 -2.077 1.00 1.24 H new ATOM 0 HG23 THR A 28 12.925 -7.629 -1.252 1.00 1.24 H new ATOM 443 N LEU A 29 8.226 -8.859 -2.070 1.00 0.94 N ATOM 444 CA LEU A 29 7.026 -9.545 -2.581 1.00 0.84 C ATOM 445 C LEU A 29 6.823 -9.196 -4.068 1.00 0.69 C ATOM 446 O LEU A 29 7.586 -8.409 -4.610 1.00 0.83 O ATOM 447 CB LEU A 29 5.804 -9.259 -1.674 1.00 0.80 C ATOM 448 CG LEU A 29 5.135 -7.869 -1.785 1.00 0.68 C ATOM 449 CD1 LEU A 29 3.929 -7.807 -0.837 1.00 0.84 C ATOM 450 CD2 LEU A 29 6.062 -6.700 -1.421 1.00 0.79 C ATOM 0 H LEU A 29 8.473 -8.050 -2.639 1.00 0.94 H new ATOM 0 HA LEU A 29 7.158 -10.626 -2.541 1.00 0.84 H new ATOM 0 HB2 LEU A 29 5.046 -10.014 -1.885 1.00 0.80 H new ATOM 0 HB3 LEU A 29 6.115 -9.400 -0.639 1.00 0.80 H new ATOM 0 HG LEU A 29 4.852 -7.759 -2.832 1.00 0.68 H new ATOM 0 HD11 LEU A 29 3.456 -6.828 -0.914 1.00 0.84 H new ATOM 0 HD12 LEU A 29 3.211 -8.580 -1.111 1.00 0.84 H new ATOM 0 HD13 LEU A 29 4.263 -7.969 0.188 1.00 0.84 H new ATOM 0 HD21 LEU A 29 5.520 -5.760 -1.524 1.00 0.79 H new ATOM 0 HD22 LEU A 29 6.402 -6.812 -0.391 1.00 0.79 H new ATOM 0 HD23 LEU A 29 6.923 -6.697 -2.089 1.00 0.79 H new ATOM 462 N SER A 30 5.838 -9.767 -4.764 1.00 0.74 N ATOM 463 CA SER A 30 5.549 -9.396 -6.163 1.00 0.71 C ATOM 464 C SER A 30 4.474 -8.304 -6.267 1.00 0.71 C ATOM 465 O SER A 30 3.695 -8.095 -5.329 1.00 0.76 O ATOM 466 CB SER A 30 5.146 -10.625 -6.996 1.00 0.81 C ATOM 467 OG SER A 30 3.747 -10.900 -6.929 1.00 1.56 O ATOM 0 H SER A 30 5.223 -10.489 -4.387 1.00 0.74 H new ATOM 0 HA SER A 30 6.473 -8.987 -6.572 1.00 0.71 H new ATOM 0 HB2 SER A 30 5.431 -10.464 -8.036 1.00 0.81 H new ATOM 0 HB3 SER A 30 5.701 -11.495 -6.645 1.00 0.81 H new ATOM 0 HG SER A 30 3.542 -11.687 -7.475 1.00 1.56 H new ATOM 473 N ARG A 31 4.341 -7.644 -7.430 1.00 0.72 N ATOM 474 CA ARG A 31 3.292 -6.624 -7.618 1.00 0.76 C ATOM 475 C ARG A 31 1.875 -7.173 -7.350 1.00 0.78 C ATOM 476 O ARG A 31 0.998 -6.425 -6.924 1.00 0.84 O ATOM 477 CB ARG A 31 3.321 -6.000 -9.020 1.00 0.95 C ATOM 478 CG ARG A 31 4.669 -5.620 -9.652 1.00 1.27 C ATOM 479 CD ARG A 31 5.573 -4.637 -8.899 1.00 1.78 C ATOM 480 NE ARG A 31 5.033 -3.265 -8.788 1.00 2.20 N ATOM 481 CZ ARG A 31 5.752 -2.140 -8.790 1.00 2.50 C ATOM 482 NH1 ARG A 31 7.031 -2.119 -9.075 1.00 2.78 N ATOM 483 NH2 ARG A 31 5.214 -0.989 -8.473 1.00 3.19 N ATOM 0 H ARG A 31 4.937 -7.794 -8.244 1.00 0.72 H new ATOM 0 HA ARG A 31 3.519 -5.853 -6.881 1.00 0.76 H new ATOM 0 HB2 ARG A 31 2.828 -6.697 -9.698 1.00 0.95 H new ATOM 0 HB3 ARG A 31 2.709 -5.098 -8.989 1.00 0.95 H new ATOM 0 HG2 ARG A 31 5.234 -6.539 -9.808 1.00 1.27 H new ATOM 0 HG3 ARG A 31 4.468 -5.199 -10.637 1.00 1.27 H new ATOM 0 HD2 ARG A 31 5.753 -5.025 -7.896 1.00 1.78 H new ATOM 0 HD3 ARG A 31 6.539 -4.594 -9.402 1.00 1.78 H new ATOM 0 HE ARG A 31 4.021 -3.170 -8.702 1.00 2.20 H new ATOM 0 HH11 ARG A 31 7.516 -2.986 -9.307 1.00 2.78 H new ATOM 0 HH12 ARG A 31 7.541 -1.236 -9.064 1.00 2.78 H new ATOM 0 HH21 ARG A 31 4.228 -0.940 -8.218 1.00 3.19 H new ATOM 0 HH22 ARG A 31 5.781 -0.141 -8.481 1.00 3.19 H new ATOM 497 N LYS A 32 1.608 -8.465 -7.584 1.00 0.82 N ATOM 498 CA LYS A 32 0.295 -9.095 -7.311 1.00 0.88 C ATOM 499 C LYS A 32 0.080 -9.470 -5.829 1.00 0.77 C ATOM 500 O LYS A 32 -1.050 -9.365 -5.349 1.00 0.90 O ATOM 501 CB LYS A 32 0.086 -10.281 -8.274 1.00 1.04 C ATOM 502 CG LYS A 32 -0.737 -9.948 -9.538 1.00 1.95 C ATOM 503 CD LYS A 32 -0.279 -8.678 -10.277 1.00 3.58 C ATOM 504 CE LYS A 32 -1.007 -8.444 -11.610 1.00 4.65 C ATOM 505 NZ LYS A 32 -0.558 -9.291 -12.751 1.00 5.11 N ATOM 0 H LYS A 32 2.296 -9.112 -7.970 1.00 0.82 H new ATOM 0 HA LYS A 32 -0.479 -8.352 -7.502 1.00 0.88 H new ATOM 0 HB2 LYS A 32 1.061 -10.659 -8.581 1.00 1.04 H new ATOM 0 HB3 LYS A 32 -0.412 -11.086 -7.734 1.00 1.04 H new ATOM 0 HG2 LYS A 32 -0.684 -10.793 -10.225 1.00 1.95 H new ATOM 0 HG3 LYS A 32 -1.783 -9.832 -9.256 1.00 1.95 H new ATOM 0 HD2 LYS A 32 -0.437 -7.815 -9.630 1.00 3.58 H new ATOM 0 HD3 LYS A 32 0.793 -8.744 -10.465 1.00 3.58 H new ATOM 0 HE2 LYS A 32 -2.073 -8.612 -11.455 1.00 4.65 H new ATOM 0 HE3 LYS A 32 -0.886 -7.397 -11.889 1.00 4.65 H new ATOM 0 HZ1 LYS A 32 -1.319 -9.353 -13.457 1.00 5.11 H new ATOM 0 HZ2 LYS A 32 0.286 -8.867 -13.187 1.00 5.11 H new ATOM 0 HZ3 LYS A 32 -0.327 -10.244 -12.406 1.00 5.11 H new ATOM 519 N GLU A 33 1.155 -9.793 -5.103 1.00 0.67 N ATOM 520 CA GLU A 33 1.124 -9.939 -3.644 1.00 0.70 C ATOM 521 C GLU A 33 0.837 -8.576 -3.000 1.00 0.65 C ATOM 522 O GLU A 33 -0.112 -8.455 -2.228 1.00 0.65 O ATOM 523 CB GLU A 33 2.461 -10.501 -3.136 1.00 0.83 C ATOM 524 CG GLU A 33 2.829 -11.884 -3.695 1.00 1.71 C ATOM 525 CD GLU A 33 2.105 -13.031 -2.999 1.00 1.74 C ATOM 526 OE1 GLU A 33 2.202 -13.107 -1.755 1.00 2.54 O ATOM 527 OE2 GLU A 33 1.601 -13.924 -3.708 1.00 2.49 O ATOM 0 H GLU A 33 2.074 -9.961 -5.512 1.00 0.67 H new ATOM 0 HA GLU A 33 0.333 -10.637 -3.369 1.00 0.70 H new ATOM 0 HB2 GLU A 33 3.255 -9.798 -3.390 1.00 0.83 H new ATOM 0 HB3 GLU A 33 2.424 -10.562 -2.048 1.00 0.83 H new ATOM 0 HG2 GLU A 33 2.597 -11.911 -4.760 1.00 1.71 H new ATOM 0 HG3 GLU A 33 3.905 -12.032 -3.599 1.00 1.71 H new ATOM 534 N LEU A 34 1.564 -7.523 -3.409 1.00 0.63 N ATOM 535 CA LEU A 34 1.315 -6.128 -3.013 1.00 0.61 C ATOM 536 C LEU A 34 -0.136 -5.713 -3.266 1.00 0.60 C ATOM 537 O LEU A 34 -0.807 -5.236 -2.351 1.00 0.59 O ATOM 538 CB LEU A 34 2.307 -5.195 -3.734 1.00 0.65 C ATOM 539 CG LEU A 34 1.989 -3.685 -3.607 1.00 0.83 C ATOM 540 CD1 LEU A 34 2.072 -3.223 -2.153 1.00 1.14 C ATOM 541 CD2 LEU A 34 2.908 -2.793 -4.448 1.00 0.99 C ATOM 0 H LEU A 34 2.360 -7.621 -4.039 1.00 0.63 H new ATOM 0 HA LEU A 34 1.476 -6.043 -1.938 1.00 0.61 H new ATOM 0 HB2 LEU A 34 3.307 -5.376 -3.339 1.00 0.65 H new ATOM 0 HB3 LEU A 34 2.330 -5.459 -4.791 1.00 0.65 H new ATOM 0 HG LEU A 34 0.973 -3.578 -3.986 1.00 0.83 H new ATOM 0 HD11 LEU A 34 1.844 -2.159 -2.096 1.00 1.14 H new ATOM 0 HD12 LEU A 34 1.354 -3.781 -1.552 1.00 1.14 H new ATOM 0 HD13 LEU A 34 3.078 -3.399 -1.772 1.00 1.14 H new ATOM 0 HD21 LEU A 34 2.627 -1.749 -4.310 1.00 0.99 H new ATOM 0 HD22 LEU A 34 3.942 -2.936 -4.133 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.810 -3.059 -5.500 1.00 0.99 H new ATOM 553 N LYS A 35 -0.649 -5.897 -4.490 1.00 0.66 N ATOM 554 CA LYS A 35 -2.038 -5.512 -4.800 1.00 0.73 C ATOM 555 C LYS A 35 -3.044 -6.218 -3.877 1.00 0.72 C ATOM 556 O LYS A 35 -4.088 -5.653 -3.576 1.00 0.81 O ATOM 557 CB LYS A 35 -2.330 -5.651 -6.312 1.00 0.89 C ATOM 558 CG LYS A 35 -2.972 -6.952 -6.840 1.00 1.47 C ATOM 559 CD LYS A 35 -4.479 -6.913 -7.162 1.00 1.32 C ATOM 560 CE LYS A 35 -5.429 -7.291 -6.011 1.00 2.78 C ATOM 561 NZ LYS A 35 -5.255 -8.701 -5.585 1.00 4.03 N ATOM 0 H LYS A 35 -0.135 -6.303 -5.272 1.00 0.66 H new ATOM 0 HA LYS A 35 -2.167 -4.452 -4.581 1.00 0.73 H new ATOM 0 HB2 LYS A 35 -2.981 -4.825 -6.597 1.00 0.89 H new ATOM 0 HB3 LYS A 35 -1.388 -5.512 -6.842 1.00 0.89 H new ATOM 0 HG2 LYS A 35 -2.441 -7.248 -7.745 1.00 1.47 H new ATOM 0 HG3 LYS A 35 -2.804 -7.736 -6.101 1.00 1.47 H new ATOM 0 HD2 LYS A 35 -4.732 -5.908 -7.499 1.00 1.32 H new ATOM 0 HD3 LYS A 35 -4.668 -7.586 -7.998 1.00 1.32 H new ATOM 0 HE2 LYS A 35 -5.250 -6.631 -5.162 1.00 2.78 H new ATOM 0 HE3 LYS A 35 -6.460 -7.132 -6.326 1.00 2.78 H new ATOM 0 HZ1 LYS A 35 -5.902 -8.908 -4.797 1.00 4.03 H new ATOM 0 HZ2 LYS A 35 -5.467 -9.333 -6.383 1.00 4.03 H new ATOM 0 HZ3 LYS A 35 -4.274 -8.852 -5.276 1.00 4.03 H new ATOM 575 N GLU A 36 -2.751 -7.446 -3.440 1.00 0.67 N ATOM 576 CA GLU A 36 -3.586 -8.149 -2.477 1.00 0.74 C ATOM 577 C GLU A 36 -3.417 -7.573 -1.061 1.00 0.76 C ATOM 578 O GLU A 36 -4.402 -7.147 -0.464 1.00 0.98 O ATOM 579 CB GLU A 36 -3.293 -9.655 -2.588 1.00 0.82 C ATOM 580 CG GLU A 36 -4.301 -10.489 -1.800 1.00 1.09 C ATOM 581 CD GLU A 36 -5.759 -10.269 -2.212 1.00 1.87 C ATOM 582 OE1 GLU A 36 -6.001 -9.971 -3.406 1.00 2.52 O ATOM 583 OE2 GLU A 36 -6.609 -10.396 -1.307 1.00 2.75 O ATOM 0 H GLU A 36 -1.933 -7.973 -3.745 1.00 0.67 H new ATOM 0 HA GLU A 36 -4.642 -8.002 -2.703 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -3.315 -9.953 -3.636 1.00 0.82 H new ATOM 0 HB3 GLU A 36 -2.287 -9.858 -2.220 1.00 0.82 H new ATOM 0 HG2 GLU A 36 -4.056 -11.544 -1.922 1.00 1.09 H new ATOM 0 HG3 GLU A 36 -4.196 -10.258 -0.740 1.00 1.09 H new ATOM 590 N LEU A 37 -2.183 -7.450 -0.554 1.00 0.65 N ATOM 591 CA LEU A 37 -1.825 -6.819 0.728 1.00 0.72 C ATOM 592 C LEU A 37 -2.595 -5.508 0.974 1.00 0.82 C ATOM 593 O LEU A 37 -3.243 -5.385 2.019 1.00 0.91 O ATOM 594 CB LEU A 37 -0.284 -6.676 0.735 1.00 0.70 C ATOM 595 CG LEU A 37 0.381 -5.602 1.621 1.00 0.88 C ATOM 596 CD1 LEU A 37 0.084 -5.717 3.116 1.00 1.07 C ATOM 597 CD2 LEU A 37 1.902 -5.676 1.418 1.00 1.49 C ATOM 0 H LEU A 37 -1.365 -7.805 -1.050 1.00 0.65 H new ATOM 0 HA LEU A 37 -2.128 -7.436 1.574 1.00 0.72 H new ATOM 0 HB2 LEU A 37 0.131 -7.641 1.026 1.00 0.70 H new ATOM 0 HB3 LEU A 37 0.030 -6.491 -0.292 1.00 0.70 H new ATOM 0 HG LEU A 37 -0.043 -4.649 1.305 1.00 0.88 H new ATOM 0 HD11 LEU A 37 0.597 -4.918 3.651 1.00 1.07 H new ATOM 0 HD12 LEU A 37 -0.990 -5.634 3.281 1.00 1.07 H new ATOM 0 HD13 LEU A 37 0.434 -6.682 3.483 1.00 1.07 H new ATOM 0 HD21 LEU A 37 2.389 -4.923 2.037 1.00 1.49 H new ATOM 0 HD22 LEU A 37 2.259 -6.666 1.702 1.00 1.49 H new ATOM 0 HD23 LEU A 37 2.139 -5.492 0.370 1.00 1.49 H new ATOM 609 N ILE A 38 -2.606 -4.594 -0.005 1.00 0.81 N ATOM 610 CA ILE A 38 -3.310 -3.290 0.041 1.00 0.91 C ATOM 611 C ILE A 38 -4.811 -3.412 0.350 1.00 1.07 C ATOM 612 O ILE A 38 -5.388 -2.489 0.917 1.00 1.36 O ATOM 613 CB ILE A 38 -3.061 -2.502 -1.276 1.00 0.78 C ATOM 614 CG1 ILE A 38 -1.570 -2.124 -1.423 1.00 0.95 C ATOM 615 CG2 ILE A 38 -3.905 -1.211 -1.361 1.00 0.87 C ATOM 616 CD1 ILE A 38 -1.174 -1.924 -2.890 1.00 1.17 C ATOM 0 H ILE A 38 -2.110 -4.740 -0.884 1.00 0.81 H new ATOM 0 HA ILE A 38 -2.888 -2.732 0.877 1.00 0.91 H new ATOM 0 HB ILE A 38 -3.361 -3.168 -2.085 1.00 0.78 H new ATOM 0 HG12 ILE A 38 -1.371 -1.209 -0.865 1.00 0.95 H new ATOM 0 HG13 ILE A 38 -0.952 -2.907 -0.983 1.00 0.95 H new ATOM 0 HG21 ILE A 38 -3.693 -0.699 -2.300 1.00 0.87 H new ATOM 0 HG22 ILE A 38 -4.964 -1.465 -1.317 1.00 0.87 H new ATOM 0 HG23 ILE A 38 -3.654 -0.557 -0.526 1.00 0.87 H new ATOM 0 HD11 ILE A 38 -0.118 -1.659 -2.949 1.00 1.17 H new ATOM 0 HD12 ILE A 38 -1.348 -2.847 -3.443 1.00 1.17 H new ATOM 0 HD13 ILE A 38 -1.773 -1.123 -3.323 1.00 1.17 H new ATOM 628 N LYS A 39 -5.470 -4.516 -0.012 1.00 1.06 N ATOM 629 CA LYS A 39 -6.885 -4.784 0.257 1.00 1.26 C ATOM 630 C LYS A 39 -7.170 -5.871 1.308 1.00 1.20 C ATOM 631 O LYS A 39 -8.325 -6.011 1.717 1.00 1.46 O ATOM 632 CB LYS A 39 -7.580 -5.089 -1.083 1.00 1.38 C ATOM 633 CG LYS A 39 -8.358 -3.887 -1.648 1.00 1.77 C ATOM 634 CD LYS A 39 -9.385 -3.256 -0.688 1.00 2.65 C ATOM 635 CE LYS A 39 -10.360 -4.279 -0.070 1.00 3.41 C ATOM 636 NZ LYS A 39 -10.478 -4.127 1.401 1.00 4.92 N ATOM 0 H LYS A 39 -5.016 -5.276 -0.519 1.00 1.06 H new ATOM 0 HA LYS A 39 -7.295 -3.886 0.718 1.00 1.26 H new ATOM 0 HB2 LYS A 39 -6.831 -5.404 -1.810 1.00 1.38 H new ATOM 0 HB3 LYS A 39 -8.265 -5.926 -0.948 1.00 1.38 H new ATOM 0 HG2 LYS A 39 -7.643 -3.119 -1.944 1.00 1.77 H new ATOM 0 HG3 LYS A 39 -8.878 -4.204 -2.552 1.00 1.77 H new ATOM 0 HD2 LYS A 39 -8.854 -2.743 0.113 1.00 2.65 H new ATOM 0 HD3 LYS A 39 -9.957 -2.500 -1.226 1.00 2.65 H new ATOM 0 HE2 LYS A 39 -11.343 -4.161 -0.525 1.00 3.41 H new ATOM 0 HE3 LYS A 39 -10.020 -5.288 -0.303 1.00 3.41 H new ATOM 0 HZ1 LYS A 39 -11.130 -4.846 1.773 1.00 4.92 H new ATOM 0 HZ2 LYS A 39 -9.542 -4.248 1.839 1.00 4.92 H new ATOM 0 HZ3 LYS A 39 -10.844 -3.179 1.624 1.00 4.92 H new ATOM 650 N LYS A 40 -6.160 -6.597 1.779 1.00 1.00 N ATOM 651 CA LYS A 40 -6.256 -7.578 2.869 1.00 1.06 C ATOM 652 C LYS A 40 -6.175 -6.904 4.238 1.00 1.12 C ATOM 653 O LYS A 40 -7.081 -7.025 5.059 1.00 1.25 O ATOM 654 CB LYS A 40 -5.078 -8.555 2.730 1.00 1.15 C ATOM 655 CG LYS A 40 -5.189 -9.471 1.534 1.00 1.48 C ATOM 656 CD LYS A 40 -6.114 -10.652 1.807 1.00 1.43 C ATOM 657 CE LYS A 40 -5.493 -11.935 1.271 1.00 2.30 C ATOM 658 NZ LYS A 40 -4.256 -12.318 1.996 1.00 4.42 N ATOM 0 H LYS A 40 -5.215 -6.519 1.402 1.00 1.00 H new ATOM 0 HA LYS A 40 -7.215 -8.091 2.800 1.00 1.06 H new ATOM 0 HB2 LYS A 40 -4.152 -7.986 2.656 1.00 1.15 H new ATOM 0 HB3 LYS A 40 -5.009 -9.159 3.635 1.00 1.15 H new ATOM 0 HG2 LYS A 40 -5.562 -8.908 0.679 1.00 1.48 H new ATOM 0 HG3 LYS A 40 -4.199 -9.840 1.266 1.00 1.48 H new ATOM 0 HD2 LYS A 40 -6.292 -10.745 2.878 1.00 1.43 H new ATOM 0 HD3 LYS A 40 -7.082 -10.483 1.336 1.00 1.43 H new ATOM 0 HE2 LYS A 40 -6.219 -12.745 1.346 1.00 2.30 H new ATOM 0 HE3 LYS A 40 -5.265 -11.809 0.213 1.00 2.30 H new ATOM 0 HZ1 LYS A 40 -3.585 -12.754 1.332 1.00 4.42 H new ATOM 0 HZ2 LYS A 40 -3.825 -11.471 2.418 1.00 4.42 H new ATOM 0 HZ3 LYS A 40 -4.490 -12.998 2.747 1.00 4.42 H new ATOM 672 N GLU A 41 -5.057 -6.216 4.457 1.00 1.13 N ATOM 673 CA GLU A 41 -4.749 -5.563 5.729 1.00 1.26 C ATOM 674 C GLU A 41 -5.500 -4.212 5.884 1.00 1.33 C ATOM 675 O GLU A 41 -5.453 -3.607 6.954 1.00 1.69 O ATOM 676 CB GLU A 41 -3.226 -5.393 5.883 1.00 1.38 C ATOM 677 CG GLU A 41 -2.318 -6.555 5.431 1.00 1.99 C ATOM 678 CD GLU A 41 -2.458 -7.881 6.176 1.00 3.35 C ATOM 679 OE1 GLU A 41 -2.016 -7.990 7.341 1.00 4.14 O ATOM 680 OE2 GLU A 41 -2.871 -8.887 5.542 1.00 4.51 O ATOM 0 H GLU A 41 -4.332 -6.094 3.750 1.00 1.13 H new ATOM 0 HA GLU A 41 -5.104 -6.205 6.535 1.00 1.26 H new ATOM 0 HB2 GLU A 41 -2.931 -4.503 5.327 1.00 1.38 H new ATOM 0 HB3 GLU A 41 -3.017 -5.195 6.934 1.00 1.38 H new ATOM 0 HG2 GLU A 41 -2.507 -6.740 4.374 1.00 1.99 H new ATOM 0 HG3 GLU A 41 -1.282 -6.227 5.517 1.00 1.99 H new ATOM 687 N LEU A 42 -6.189 -3.730 4.831 1.00 1.26 N ATOM 688 CA LEU A 42 -6.961 -2.495 4.788 1.00 1.31 C ATOM 689 C LEU A 42 -8.440 -2.741 4.430 1.00 1.56 C ATOM 690 O LEU A 42 -8.769 -3.526 3.534 1.00 1.79 O ATOM 691 CB LEU A 42 -6.333 -1.628 3.686 1.00 1.20 C ATOM 692 CG LEU A 42 -6.221 -0.123 3.929 1.00 1.08 C ATOM 693 CD1 LEU A 42 -7.480 0.561 4.467 1.00 2.54 C ATOM 694 CD2 LEU A 42 -5.023 0.202 4.821 1.00 2.51 C ATOM 0 H LEU A 42 -6.216 -4.229 3.942 1.00 1.26 H new ATOM 0 HA LEU A 42 -6.939 -2.022 5.770 1.00 1.31 H new ATOM 0 HB2 LEU A 42 -5.331 -2.010 3.492 1.00 1.20 H new ATOM 0 HB3 LEU A 42 -6.912 -1.776 2.775 1.00 1.20 H new ATOM 0 HG LEU A 42 -6.077 0.294 2.932 1.00 1.08 H new ATOM 0 HD11 LEU A 42 -7.287 1.625 4.602 1.00 2.54 H new ATOM 0 HD12 LEU A 42 -8.298 0.427 3.759 1.00 2.54 H new ATOM 0 HD13 LEU A 42 -7.754 0.118 5.425 1.00 2.54 H new ATOM 0 HD21 LEU A 42 -4.967 1.279 4.977 1.00 2.51 H new ATOM 0 HD22 LEU A 42 -5.139 -0.299 5.782 1.00 2.51 H new ATOM 0 HD23 LEU A 42 -4.107 -0.143 4.340 1.00 2.51 H new ATOM 706 N CYS A 43 -9.312 -1.955 5.057 1.00 1.87 N ATOM 707 CA CYS A 43 -10.738 -1.780 4.766 1.00 2.28 C ATOM 708 C CYS A 43 -10.958 -0.994 3.473 1.00 1.94 C ATOM 709 O CYS A 43 -10.956 -1.585 2.391 1.00 2.49 O ATOM 710 CB CYS A 43 -11.410 -1.164 6.004 1.00 3.25 C ATOM 711 SG CYS A 43 -13.195 -0.973 5.770 1.00 4.14 S ATOM 0 H CYS A 43 -9.019 -1.377 5.845 1.00 1.87 H new ATOM 0 HA CYS A 43 -11.212 -2.743 4.575 1.00 2.28 H new ATOM 0 HB2 CYS A 43 -11.222 -1.795 6.872 1.00 3.25 H new ATOM 0 HB3 CYS A 43 -10.964 -0.192 6.214 1.00 3.25 H new ATOM 0 HG CYS A 43 -13.665 -0.154 6.664 1.00 4.14 H new ATOM 774 N LYS A 48 -12.747 6.218 -3.616 1.00 2.81 N ATOM 775 CA LYS A 48 -11.932 6.137 -4.817 1.00 2.65 C ATOM 776 C LYS A 48 -12.060 4.736 -5.449 1.00 2.42 C ATOM 777 O LYS A 48 -12.057 3.737 -4.736 1.00 2.65 O ATOM 778 CB LYS A 48 -10.472 6.362 -4.402 1.00 2.79 C ATOM 779 CG LYS A 48 -10.081 7.739 -3.898 1.00 3.50 C ATOM 780 CD LYS A 48 -10.500 8.854 -4.862 1.00 4.79 C ATOM 781 CE LYS A 48 -11.727 9.513 -4.256 1.00 4.87 C ATOM 782 NZ LYS A 48 -11.380 10.726 -3.468 1.00 5.72 N ATOM 0 HA LYS A 48 -12.257 6.883 -5.542 1.00 2.65 H new ATOM 0 HB2 LYS A 48 -10.231 5.640 -3.622 1.00 2.79 H new ATOM 0 HB3 LYS A 48 -9.841 6.128 -5.259 1.00 2.79 H new ATOM 0 HG2 LYS A 48 -10.542 7.911 -2.925 1.00 3.50 H new ATOM 0 HG3 LYS A 48 -9.002 7.776 -3.751 1.00 3.50 H new ATOM 0 HD2 LYS A 48 -9.695 9.578 -4.991 1.00 4.79 H new ATOM 0 HD3 LYS A 48 -10.725 8.449 -5.849 1.00 4.79 H new ATOM 0 HE2 LYS A 48 -12.422 9.784 -5.051 1.00 4.87 H new ATOM 0 HE3 LYS A 48 -12.241 8.799 -3.613 1.00 4.87 H new ATOM 0 HZ1 LYS A 48 -11.831 10.673 -2.532 1.00 5.72 H new ATOM 0 HZ2 LYS A 48 -10.348 10.781 -3.352 1.00 5.72 H new ATOM 0 HZ3 LYS A 48 -11.718 11.573 -3.968 1.00 5.72 H new ATOM 796 N GLU A 49 -12.098 4.706 -6.775 1.00 2.78 N ATOM 797 CA GLU A 49 -12.500 3.592 -7.641 1.00 2.92 C ATOM 798 C GLU A 49 -11.391 3.312 -8.685 1.00 2.82 C ATOM 799 O GLU A 49 -10.328 2.807 -8.332 1.00 3.32 O ATOM 800 CB GLU A 49 -13.894 3.903 -8.244 1.00 3.55 C ATOM 801 CG GLU A 49 -14.219 5.392 -8.506 1.00 4.21 C ATOM 802 CD GLU A 49 -13.139 6.112 -9.317 1.00 5.03 C ATOM 803 OE1 GLU A 49 -12.195 6.641 -8.689 1.00 5.35 O ATOM 804 OE2 GLU A 49 -13.161 5.982 -10.559 1.00 5.97 O ATOM 0 H GLU A 49 -11.828 5.523 -7.322 1.00 2.78 H new ATOM 0 HA GLU A 49 -12.608 2.665 -7.078 1.00 2.92 H new ATOM 0 HB2 GLU A 49 -13.985 3.363 -9.187 1.00 3.55 H new ATOM 0 HB3 GLU A 49 -14.653 3.502 -7.572 1.00 3.55 H new ATOM 0 HG2 GLU A 49 -15.169 5.462 -9.036 1.00 4.21 H new ATOM 0 HG3 GLU A 49 -14.348 5.902 -7.552 1.00 4.21 H new ATOM 811 N SER A 50 -11.556 3.704 -9.951 1.00 2.75 N ATOM 812 CA SER A 50 -10.463 3.815 -10.935 1.00 2.77 C ATOM 813 C SER A 50 -9.309 4.700 -10.423 1.00 2.30 C ATOM 814 O SER A 50 -8.159 4.476 -10.777 1.00 3.46 O ATOM 815 CB SER A 50 -10.972 4.389 -12.276 1.00 3.35 C ATOM 816 OG SER A 50 -12.388 4.397 -12.409 1.00 3.31 O ATOM 0 H SER A 50 -12.467 3.959 -10.333 1.00 2.75 H new ATOM 0 HA SER A 50 -10.088 2.803 -11.088 1.00 2.77 H new ATOM 0 HB2 SER A 50 -10.603 5.409 -12.385 1.00 3.35 H new ATOM 0 HB3 SER A 50 -10.545 3.807 -13.093 1.00 3.35 H new ATOM 0 HG SER A 50 -12.750 5.210 -12.000 1.00 3.31 H new ATOM 822 N SER A 51 -9.579 5.657 -9.529 1.00 1.65 N ATOM 823 CA SER A 51 -8.535 6.417 -8.824 1.00 1.82 C ATOM 824 C SER A 51 -7.671 5.579 -7.852 1.00 1.76 C ATOM 825 O SER A 51 -6.748 6.131 -7.248 1.00 2.66 O ATOM 826 CB SER A 51 -9.208 7.581 -8.081 1.00 2.40 C ATOM 827 OG SER A 51 -8.297 8.322 -7.282 1.00 3.08 O ATOM 0 H SER A 51 -10.528 5.929 -9.272 1.00 1.65 H new ATOM 0 HA SER A 51 -7.833 6.775 -9.577 1.00 1.82 H new ATOM 0 HB2 SER A 51 -9.675 8.248 -8.806 1.00 2.40 H new ATOM 0 HB3 SER A 51 -10.005 7.190 -7.448 1.00 2.40 H new ATOM 0 HG SER A 51 -7.483 7.795 -7.140 1.00 3.08 H new ATOM 833 N ILE A 52 -7.943 4.281 -7.672 1.00 1.34 N ATOM 834 CA ILE A 52 -6.955 3.298 -7.195 1.00 1.29 C ATOM 835 C ILE A 52 -6.700 2.199 -8.235 1.00 1.15 C ATOM 836 O ILE A 52 -5.549 1.772 -8.332 1.00 1.37 O ATOM 837 CB ILE A 52 -7.264 2.751 -5.770 1.00 1.62 C ATOM 838 CG1 ILE A 52 -6.595 1.368 -5.531 1.00 3.03 C ATOM 839 CG2 ILE A 52 -8.750 2.728 -5.382 1.00 2.21 C ATOM 840 CD1 ILE A 52 -6.699 0.767 -4.127 1.00 3.29 C ATOM 0 H ILE A 52 -8.862 3.877 -7.854 1.00 1.34 H new ATOM 0 HA ILE A 52 -6.013 3.834 -7.079 1.00 1.29 H new ATOM 0 HB ILE A 52 -6.816 3.483 -5.097 1.00 1.62 H new ATOM 0 HG12 ILE A 52 -7.030 0.658 -6.234 1.00 3.03 H new ATOM 0 HG13 ILE A 52 -5.538 1.458 -5.781 1.00 3.03 H new ATOM 0 HG21 ILE A 52 -8.856 2.330 -4.373 1.00 2.21 H new ATOM 0 HG22 ILE A 52 -9.151 3.741 -5.417 1.00 2.21 H new ATOM 0 HG23 ILE A 52 -9.299 2.096 -6.080 1.00 2.21 H new ATOM 0 HD11 ILE A 52 -6.189 -0.196 -4.105 1.00 3.29 H new ATOM 0 HD12 ILE A 52 -6.233 1.441 -3.407 1.00 3.29 H new ATOM 0 HD13 ILE A 52 -7.749 0.628 -3.867 1.00 3.29 H new ATOM 852 N ASP A 53 -7.692 1.740 -9.008 1.00 1.11 N ATOM 853 CA ASP A 53 -7.424 0.658 -9.967 1.00 1.27 C ATOM 854 C ASP A 53 -6.451 1.069 -11.082 1.00 1.15 C ATOM 855 O ASP A 53 -5.762 0.195 -11.572 1.00 1.29 O ATOM 856 CB ASP A 53 -8.673 -0.052 -10.519 1.00 1.78 C ATOM 857 CG ASP A 53 -8.328 -1.499 -10.949 1.00 2.71 C ATOM 858 OD1 ASP A 53 -8.188 -2.350 -10.039 1.00 3.84 O ATOM 859 OD2 ASP A 53 -8.189 -1.771 -12.169 1.00 3.29 O ATOM 0 H ASP A 53 -8.652 2.084 -8.993 1.00 1.11 H new ATOM 0 HA ASP A 53 -6.922 -0.098 -9.364 1.00 1.27 H new ATOM 0 HB2 ASP A 53 -9.455 -0.069 -9.760 1.00 1.78 H new ATOM 0 HB3 ASP A 53 -9.067 0.503 -11.370 1.00 1.78 H new ATOM 864 N ASP A 54 -6.276 2.352 -11.422 1.00 1.13 N ATOM 865 CA ASP A 54 -5.160 2.798 -12.278 1.00 1.27 C ATOM 866 C ASP A 54 -3.789 2.344 -11.727 1.00 1.14 C ATOM 867 O ASP A 54 -2.945 1.786 -12.438 1.00 1.22 O ATOM 868 CB ASP A 54 -5.196 4.332 -12.386 1.00 1.67 C ATOM 869 CG ASP A 54 -4.010 4.868 -13.194 1.00 2.22 C ATOM 870 OD1 ASP A 54 -4.050 4.755 -14.440 1.00 2.45 O ATOM 871 OD2 ASP A 54 -3.059 5.366 -12.550 1.00 3.27 O ATOM 0 H ASP A 54 -6.893 3.105 -11.118 1.00 1.13 H new ATOM 0 HA ASP A 54 -5.282 2.343 -13.261 1.00 1.27 H new ATOM 0 HB2 ASP A 54 -6.128 4.642 -12.858 1.00 1.67 H new ATOM 0 HB3 ASP A 54 -5.183 4.768 -11.387 1.00 1.67 H new ATOM 876 N LEU A 55 -3.603 2.505 -10.417 1.00 1.04 N ATOM 877 CA LEU A 55 -2.384 2.143 -9.699 1.00 1.02 C ATOM 878 C LEU A 55 -2.254 0.612 -9.620 1.00 1.02 C ATOM 879 O LEU A 55 -1.185 0.060 -9.892 1.00 1.09 O ATOM 880 CB LEU A 55 -2.401 2.802 -8.301 1.00 0.97 C ATOM 881 CG LEU A 55 -2.713 4.313 -8.253 1.00 0.99 C ATOM 882 CD1 LEU A 55 -2.786 4.756 -6.782 1.00 1.13 C ATOM 883 CD2 LEU A 55 -1.652 5.139 -8.991 1.00 1.09 C ATOM 0 H LEU A 55 -4.319 2.903 -9.809 1.00 1.04 H new ATOM 0 HA LEU A 55 -1.508 2.512 -10.233 1.00 1.02 H new ATOM 0 HB2 LEU A 55 -3.138 2.282 -7.688 1.00 0.97 H new ATOM 0 HB3 LEU A 55 -1.429 2.640 -7.836 1.00 0.97 H new ATOM 0 HG LEU A 55 -3.666 4.485 -8.753 1.00 0.99 H new ATOM 0 HD11 LEU A 55 -3.006 5.822 -6.734 1.00 1.13 H new ATOM 0 HD12 LEU A 55 -3.573 4.200 -6.273 1.00 1.13 H new ATOM 0 HD13 LEU A 55 -1.831 4.560 -6.295 1.00 1.13 H new ATOM 0 HD21 LEU A 55 -1.909 6.197 -8.933 1.00 1.09 H new ATOM 0 HD22 LEU A 55 -0.678 4.977 -8.529 1.00 1.09 H new ATOM 0 HD23 LEU A 55 -1.613 4.831 -10.036 1.00 1.09 H new ATOM 895 N MET A 56 -3.352 -0.097 -9.327 1.00 1.01 N ATOM 896 CA MET A 56 -3.423 -1.568 -9.341 1.00 1.09 C ATOM 897 C MET A 56 -3.217 -2.144 -10.757 1.00 1.08 C ATOM 898 O MET A 56 -2.697 -3.246 -10.917 1.00 1.13 O ATOM 899 CB MET A 56 -4.781 -2.030 -8.790 1.00 1.15 C ATOM 900 CG MET A 56 -5.101 -1.492 -7.388 1.00 1.23 C ATOM 901 SD MET A 56 -4.100 -2.203 -6.052 1.00 2.02 S ATOM 902 CE MET A 56 -5.238 -3.476 -5.464 1.00 1.41 C ATOM 0 H MET A 56 -4.235 0.343 -9.068 1.00 1.01 H new ATOM 0 HA MET A 56 -2.617 -1.941 -8.709 1.00 1.09 H new ATOM 0 HB2 MET A 56 -5.567 -1.715 -9.477 1.00 1.15 H new ATOM 0 HB3 MET A 56 -4.799 -3.120 -8.763 1.00 1.15 H new ATOM 0 HG2 MET A 56 -4.964 -0.411 -7.389 1.00 1.23 H new ATOM 0 HG3 MET A 56 -6.153 -1.680 -7.174 1.00 1.23 H new ATOM 0 HE1 MET A 56 -5.218 -3.507 -4.375 1.00 1.41 H new ATOM 0 HE2 MET A 56 -6.248 -3.245 -5.802 1.00 1.41 H new ATOM 0 HE3 MET A 56 -4.936 -4.445 -5.860 1.00 1.41 H new ATOM 912 N LYS A 57 -3.567 -1.385 -11.797 1.00 1.18 N ATOM 913 CA LYS A 57 -3.373 -1.723 -13.207 1.00 1.25 C ATOM 914 C LYS A 57 -1.936 -1.468 -13.673 1.00 1.27 C ATOM 915 O LYS A 57 -1.400 -2.157 -14.540 1.00 1.38 O ATOM 916 CB LYS A 57 -4.401 -0.923 -14.038 1.00 1.43 C ATOM 917 CG LYS A 57 -4.561 -1.369 -15.493 1.00 2.17 C ATOM 918 CD LYS A 57 -4.728 -2.884 -15.580 1.00 2.66 C ATOM 919 CE LYS A 57 -5.861 -3.412 -14.673 1.00 3.05 C ATOM 920 NZ LYS A 57 -5.948 -4.891 -14.688 1.00 4.36 N ATOM 0 H LYS A 57 -4.014 -0.477 -11.673 1.00 1.18 H new ATOM 0 HA LYS A 57 -3.536 -2.791 -13.349 1.00 1.25 H new ATOM 0 HB2 LYS A 57 -5.371 -0.991 -13.546 1.00 1.43 H new ATOM 0 HB3 LYS A 57 -4.112 0.128 -14.028 1.00 1.43 H new ATOM 0 HG2 LYS A 57 -5.427 -0.877 -15.936 1.00 2.17 H new ATOM 0 HG3 LYS A 57 -3.689 -1.061 -16.071 1.00 2.17 H new ATOM 0 HD2 LYS A 57 -4.935 -3.164 -16.613 1.00 2.66 H new ATOM 0 HD3 LYS A 57 -3.791 -3.365 -15.301 1.00 2.66 H new ATOM 0 HE2 LYS A 57 -5.695 -3.070 -13.651 1.00 3.05 H new ATOM 0 HE3 LYS A 57 -6.812 -2.991 -15.000 1.00 3.05 H new ATOM 0 HZ1 LYS A 57 -6.463 -5.217 -13.845 1.00 4.36 H new ATOM 0 HZ2 LYS A 57 -6.453 -5.200 -15.543 1.00 4.36 H new ATOM 0 HZ3 LYS A 57 -4.990 -5.295 -14.686 1.00 4.36 H new ATOM 934 N SER A 58 -1.295 -0.514 -13.030 1.00 1.21 N ATOM 935 CA SER A 58 0.158 -0.302 -13.016 1.00 1.28 C ATOM 936 C SER A 58 0.911 -1.482 -12.352 1.00 1.19 C ATOM 937 O SER A 58 1.867 -1.998 -12.934 1.00 1.39 O ATOM 938 CB SER A 58 0.482 1.047 -12.356 1.00 1.37 C ATOM 939 OG SER A 58 1.696 1.553 -12.865 1.00 2.16 O ATOM 0 H SER A 58 -1.791 0.178 -12.469 1.00 1.21 H new ATOM 0 HA SER A 58 0.513 -0.268 -14.046 1.00 1.28 H new ATOM 0 HB2 SER A 58 -0.324 1.756 -12.544 1.00 1.37 H new ATOM 0 HB3 SER A 58 0.554 0.925 -11.275 1.00 1.37 H new ATOM 0 HG SER A 58 1.895 2.414 -12.441 1.00 2.16 H new ATOM 945 N LEU A 59 0.419 -2.027 -11.223 1.00 1.07 N ATOM 946 CA LEU A 59 0.893 -3.312 -10.649 1.00 1.06 C ATOM 947 C LEU A 59 0.635 -4.539 -11.558 1.00 1.08 C ATOM 948 O LEU A 59 1.083 -5.646 -11.259 1.00 1.52 O ATOM 949 CB LEU A 59 0.251 -3.533 -9.260 1.00 1.04 C ATOM 950 CG LEU A 59 0.531 -2.457 -8.194 1.00 1.08 C ATOM 951 CD1 LEU A 59 -0.112 -2.865 -6.865 1.00 1.14 C ATOM 952 CD2 LEU A 59 2.028 -2.209 -7.981 1.00 1.33 C ATOM 0 H LEU A 59 -0.323 -1.590 -10.676 1.00 1.07 H new ATOM 0 HA LEU A 59 1.976 -3.228 -10.559 1.00 1.06 H new ATOM 0 HB2 LEU A 59 -0.828 -3.610 -9.391 1.00 1.04 H new ATOM 0 HB3 LEU A 59 0.595 -4.493 -8.874 1.00 1.04 H new ATOM 0 HG LEU A 59 0.096 -1.526 -8.559 1.00 1.08 H new ATOM 0 HD11 LEU A 59 0.089 -2.101 -6.114 1.00 1.14 H new ATOM 0 HD12 LEU A 59 -1.189 -2.969 -6.998 1.00 1.14 H new ATOM 0 HD13 LEU A 59 0.306 -3.816 -6.535 1.00 1.14 H new ATOM 0 HD21 LEU A 59 2.165 -1.441 -7.219 1.00 1.33 H new ATOM 0 HD22 LEU A 59 2.507 -3.132 -7.656 1.00 1.33 H new ATOM 0 HD23 LEU A 59 2.478 -1.876 -8.916 1.00 1.33 H new ATOM 964 N ASP A 60 -0.074 -4.358 -12.669 1.00 1.44 N ATOM 965 CA ASP A 60 -0.432 -5.375 -13.665 1.00 1.61 C ATOM 966 C ASP A 60 0.282 -5.162 -15.021 1.00 1.70 C ATOM 967 O ASP A 60 -0.191 -5.610 -16.064 1.00 2.18 O ATOM 968 CB ASP A 60 -1.968 -5.376 -13.742 1.00 1.71 C ATOM 969 CG ASP A 60 -2.600 -6.549 -14.485 1.00 2.53 C ATOM 970 OD1 ASP A 60 -2.136 -7.695 -14.281 1.00 3.16 O ATOM 971 OD2 ASP A 60 -3.643 -6.284 -15.130 1.00 3.49 O ATOM 0 H ASP A 60 -0.440 -3.439 -12.918 1.00 1.44 H new ATOM 0 HA ASP A 60 -0.082 -6.364 -13.369 1.00 1.61 H new ATOM 0 HB2 ASP A 60 -2.363 -5.360 -12.726 1.00 1.71 H new ATOM 0 HB3 ASP A 60 -2.288 -4.452 -14.223 1.00 1.71 H new ATOM 976 N LYS A 61 1.403 -4.423 -15.031 1.00 1.82 N ATOM 977 CA LYS A 61 2.297 -4.291 -16.201 1.00 2.03 C ATOM 978 C LYS A 61 3.541 -5.192 -16.129 1.00 2.03 C ATOM 979 O LYS A 61 3.894 -5.833 -17.115 1.00 2.21 O ATOM 980 CB LYS A 61 2.715 -2.816 -16.379 1.00 2.19 C ATOM 981 CG LYS A 61 1.613 -1.742 -16.341 1.00 1.92 C ATOM 982 CD LYS A 61 0.618 -1.726 -17.507 1.00 1.94 C ATOM 983 CE LYS A 61 -0.299 -2.953 -17.476 1.00 3.04 C ATOM 984 NZ LYS A 61 -1.461 -2.821 -18.378 1.00 4.54 N ATOM 0 H LYS A 61 1.721 -3.893 -14.220 1.00 1.82 H new ATOM 0 HA LYS A 61 1.728 -4.627 -17.067 1.00 2.03 H new ATOM 0 HB2 LYS A 61 3.440 -2.578 -15.600 1.00 2.19 H new ATOM 0 HB3 LYS A 61 3.233 -2.729 -17.334 1.00 2.19 H new ATOM 0 HG2 LYS A 61 1.050 -1.867 -15.416 1.00 1.92 H new ATOM 0 HG3 LYS A 61 2.093 -0.765 -16.292 1.00 1.92 H new ATOM 0 HD2 LYS A 61 0.016 -0.819 -17.461 1.00 1.94 H new ATOM 0 HD3 LYS A 61 1.162 -1.700 -18.451 1.00 1.94 H new ATOM 0 HE2 LYS A 61 0.274 -3.837 -17.756 1.00 3.04 H new ATOM 0 HE3 LYS A 61 -0.652 -3.112 -16.457 1.00 3.04 H new ATOM 0 HZ1 LYS A 61 -2.047 -3.678 -18.317 1.00 4.54 H new ATOM 0 HZ2 LYS A 61 -2.026 -1.995 -18.097 1.00 4.54 H new ATOM 0 HZ3 LYS A 61 -1.129 -2.697 -19.356 1.00 4.54 H new ATOM 998 N ASN A 62 4.186 -5.233 -14.962 1.00 1.97 N ATOM 999 CA ASN A 62 5.484 -5.875 -14.704 1.00 2.24 C ATOM 1000 C ASN A 62 5.403 -6.679 -13.400 1.00 2.33 C ATOM 1001 O ASN A 62 6.038 -6.377 -12.391 1.00 3.57 O ATOM 1002 CB ASN A 62 6.567 -4.784 -14.662 1.00 2.36 C ATOM 1003 CG ASN A 62 7.013 -4.417 -16.067 1.00 2.51 C ATOM 1004 OD1 ASN A 62 6.374 -3.628 -16.746 1.00 2.53 O ATOM 1005 ND2 ASN A 62 8.095 -5.008 -16.547 1.00 3.37 N ATOM 0 H ASN A 62 3.800 -4.797 -14.125 1.00 1.97 H new ATOM 0 HA ASN A 62 5.745 -6.577 -15.496 1.00 2.24 H new ATOM 0 HB2 ASN A 62 6.180 -3.900 -14.155 1.00 2.36 H new ATOM 0 HB3 ASN A 62 7.422 -5.135 -14.084 1.00 2.36 H new ATOM 0 HD21 ASN A 62 8.407 -4.807 -17.497 1.00 3.37 H new ATOM 0 HD22 ASN A 62 8.617 -5.664 -15.967 1.00 3.37 H new ATOM 1012 N SER A 63 4.490 -7.644 -13.369 1.00 1.72 N ATOM 1013 CA SER A 63 3.861 -8.114 -12.133 1.00 1.62 C ATOM 1014 C SER A 63 4.675 -9.122 -11.329 1.00 1.44 C ATOM 1015 O SER A 63 4.430 -9.311 -10.137 1.00 1.48 O ATOM 1016 CB SER A 63 2.483 -8.705 -12.433 1.00 1.67 C ATOM 1017 OG SER A 63 2.276 -9.209 -13.742 1.00 2.52 O ATOM 0 H SER A 63 4.161 -8.127 -14.205 1.00 1.72 H new ATOM 0 HA SER A 63 3.785 -7.226 -11.506 1.00 1.62 H new ATOM 0 HB2 SER A 63 2.298 -9.512 -11.725 1.00 1.67 H new ATOM 0 HB3 SER A 63 1.734 -7.936 -12.242 1.00 1.67 H new ATOM 0 HG SER A 63 2.858 -9.984 -13.890 1.00 2.52 H new ATOM 1023 N ASP A 64 5.643 -9.741 -11.994 1.00 1.42 N ATOM 1024 CA ASP A 64 6.212 -11.067 -11.712 1.00 1.32 C ATOM 1025 C ASP A 64 7.686 -10.905 -11.291 1.00 1.37 C ATOM 1026 O ASP A 64 8.538 -11.786 -11.386 1.00 1.67 O ATOM 1027 CB ASP A 64 5.999 -11.932 -12.969 1.00 1.56 C ATOM 1028 CG ASP A 64 4.530 -11.878 -13.428 1.00 2.18 C ATOM 1029 OD1 ASP A 64 4.170 -10.909 -14.142 1.00 3.17 O ATOM 1030 OD2 ASP A 64 3.733 -12.730 -12.985 1.00 2.75 O ATOM 0 H ASP A 64 6.087 -9.305 -12.802 1.00 1.42 H new ATOM 0 HA ASP A 64 5.723 -11.572 -10.879 1.00 1.32 H new ATOM 0 HB2 ASP A 64 6.648 -11.582 -13.771 1.00 1.56 H new ATOM 0 HB3 ASP A 64 6.281 -12.964 -12.758 1.00 1.56 H new ATOM 1035 N GLN A 65 7.942 -9.682 -10.850 1.00 1.36 N ATOM 1036 CA GLN A 65 9.169 -9.105 -10.353 1.00 1.42 C ATOM 1037 C GLN A 65 9.013 -8.818 -8.859 1.00 1.28 C ATOM 1038 O GLN A 65 7.887 -8.629 -8.390 1.00 1.20 O ATOM 1039 CB GLN A 65 9.349 -7.761 -11.066 1.00 1.57 C ATOM 1040 CG GLN A 65 9.706 -7.879 -12.560 1.00 2.31 C ATOM 1041 CD GLN A 65 9.780 -6.525 -13.274 1.00 2.44 C ATOM 1042 OE1 GLN A 65 9.591 -6.425 -14.476 1.00 2.97 O ATOM 1043 NE2 GLN A 65 10.034 -5.430 -12.586 1.00 3.31 N ATOM 0 H GLN A 65 7.194 -8.989 -10.833 1.00 1.36 H new ATOM 0 HA GLN A 65 10.011 -9.776 -10.522 1.00 1.42 H new ATOM 0 HB2 GLN A 65 8.429 -7.185 -10.969 1.00 1.57 H new ATOM 0 HB3 GLN A 65 10.133 -7.197 -10.561 1.00 1.57 H new ATOM 0 HG2 GLN A 65 10.666 -8.387 -12.658 1.00 2.31 H new ATOM 0 HG3 GLN A 65 8.963 -8.503 -13.056 1.00 2.31 H new ATOM 0 HE21 GLN A 65 10.196 -5.486 -11.580 1.00 3.31 H new ATOM 0 HE22 GLN A 65 10.069 -4.527 -13.059 1.00 3.31 H new ATOM 1052 N GLU A 66 10.130 -8.712 -8.136 1.00 1.32 N ATOM 1053 CA GLU A 66 10.080 -8.314 -6.734 1.00 1.23 C ATOM 1054 C GLU A 66 9.937 -6.793 -6.550 1.00 1.22 C ATOM 1055 O GLU A 66 10.278 -6.004 -7.434 1.00 1.27 O ATOM 1056 CB GLU A 66 11.289 -8.857 -5.959 1.00 1.31 C ATOM 1057 CG GLU A 66 11.348 -10.395 -5.912 1.00 1.33 C ATOM 1058 CD GLU A 66 12.359 -10.907 -4.875 1.00 1.92 C ATOM 1059 OE1 GLU A 66 13.153 -10.094 -4.350 1.00 2.60 O ATOM 1060 OE2 GLU A 66 12.295 -12.108 -4.536 1.00 2.81 O ATOM 0 H GLU A 66 11.067 -8.894 -8.495 1.00 1.32 H new ATOM 0 HA GLU A 66 9.178 -8.762 -6.317 1.00 1.23 H new ATOM 0 HB2 GLU A 66 12.203 -8.480 -6.417 1.00 1.31 H new ATOM 0 HB3 GLU A 66 11.261 -8.471 -4.940 1.00 1.31 H new ATOM 0 HG2 GLU A 66 10.359 -10.788 -5.677 1.00 1.33 H new ATOM 0 HG3 GLU A 66 11.616 -10.777 -6.897 1.00 1.33 H new ATOM 1067 N ILE A 67 9.425 -6.390 -5.385 1.00 1.19 N ATOM 1068 CA ILE A 67 9.314 -4.999 -4.915 1.00 1.10 C ATOM 1069 C ILE A 67 9.630 -4.871 -3.430 1.00 1.05 C ATOM 1070 O ILE A 67 9.402 -5.793 -2.643 1.00 1.05 O ATOM 1071 CB ILE A 67 7.911 -4.384 -5.133 1.00 0.99 C ATOM 1072 CG1 ILE A 67 6.798 -5.441 -5.188 1.00 1.61 C ATOM 1073 CG2 ILE A 67 7.925 -3.464 -6.351 1.00 1.50 C ATOM 1074 CD1 ILE A 67 5.408 -4.847 -5.072 1.00 1.72 C ATOM 0 H ILE A 67 9.056 -7.056 -4.706 1.00 1.19 H new ATOM 0 HA ILE A 67 10.044 -4.457 -5.517 1.00 1.10 H new ATOM 0 HB ILE A 67 7.670 -3.776 -4.261 1.00 0.99 H new ATOM 0 HG12 ILE A 67 6.874 -5.992 -6.125 1.00 1.61 H new ATOM 0 HG13 ILE A 67 6.948 -6.160 -4.383 1.00 1.61 H new ATOM 0 HG21 ILE A 67 6.933 -3.036 -6.495 1.00 1.50 H new ATOM 0 HG22 ILE A 67 8.646 -2.662 -6.193 1.00 1.50 H new ATOM 0 HG23 ILE A 67 8.206 -4.036 -7.236 1.00 1.50 H new ATOM 0 HD11 ILE A 67 4.666 -5.645 -5.118 1.00 1.72 H new ATOM 0 HD12 ILE A 67 5.316 -4.320 -4.123 1.00 1.72 H new ATOM 0 HD13 ILE A 67 5.241 -4.149 -5.892 1.00 1.72 H new ATOM 1086 N ASP A 68 10.075 -3.670 -3.069 1.00 1.07 N ATOM 1087 CA ASP A 68 10.497 -3.273 -1.735 1.00 1.09 C ATOM 1088 C ASP A 68 9.540 -2.285 -1.030 1.00 0.98 C ATOM 1089 O ASP A 68 8.550 -1.787 -1.582 1.00 1.14 O ATOM 1090 CB ASP A 68 11.906 -2.670 -1.856 1.00 1.24 C ATOM 1091 CG ASP A 68 11.873 -1.220 -2.344 1.00 0.99 C ATOM 1092 OD1 ASP A 68 11.490 -0.943 -3.504 1.00 1.82 O ATOM 1093 OD2 ASP A 68 12.203 -0.314 -1.552 1.00 2.04 O ATOM 0 H ASP A 68 10.154 -2.907 -3.741 1.00 1.07 H new ATOM 0 HA ASP A 68 10.489 -4.161 -1.103 1.00 1.09 H new ATOM 0 HB2 ASP A 68 12.403 -2.714 -0.887 1.00 1.24 H new ATOM 0 HB3 ASP A 68 12.499 -3.271 -2.546 1.00 1.24 H new ATOM 1098 N PHE A 69 9.916 -1.945 0.205 1.00 0.93 N ATOM 1099 CA PHE A 69 9.201 -1.052 1.114 1.00 0.93 C ATOM 1100 C PHE A 69 8.930 0.363 0.538 1.00 0.83 C ATOM 1101 O PHE A 69 7.962 1.021 0.922 1.00 0.79 O ATOM 1102 CB PHE A 69 10.035 -1.029 2.416 1.00 1.02 C ATOM 1103 CG PHE A 69 9.332 -0.522 3.657 1.00 1.46 C ATOM 1104 CD1 PHE A 69 8.072 -1.032 4.011 1.00 1.99 C ATOM 1105 CD2 PHE A 69 9.960 0.414 4.502 1.00 3.03 C ATOM 1106 CE1 PHE A 69 7.400 -0.531 5.136 1.00 2.76 C ATOM 1107 CE2 PHE A 69 9.290 0.912 5.633 1.00 3.70 C ATOM 1108 CZ PHE A 69 7.993 0.462 5.935 1.00 3.21 C ATOM 0 H PHE A 69 10.775 -2.307 0.619 1.00 0.93 H new ATOM 0 HA PHE A 69 8.192 -1.425 1.293 1.00 0.93 H new ATOM 0 HB2 PHE A 69 10.389 -2.041 2.613 1.00 1.02 H new ATOM 0 HB3 PHE A 69 10.917 -0.411 2.246 1.00 1.02 H new ATOM 0 HD1 PHE A 69 7.620 -1.811 3.416 1.00 1.99 H new ATOM 0 HD2 PHE A 69 10.962 0.751 4.280 1.00 3.03 H new ATOM 0 HE1 PHE A 69 6.421 -0.910 5.390 1.00 2.76 H new ATOM 0 HE2 PHE A 69 9.771 1.640 6.269 1.00 3.70 H new ATOM 0 HZ PHE A 69 7.456 0.876 6.775 1.00 3.21 H new ATOM 1118 N LYS A 70 9.729 0.834 -0.427 1.00 0.82 N ATOM 1119 CA LYS A 70 9.593 2.128 -1.103 1.00 0.72 C ATOM 1120 C LYS A 70 8.322 2.181 -1.949 1.00 0.71 C ATOM 1121 O LYS A 70 7.488 3.066 -1.733 1.00 0.71 O ATOM 1122 CB LYS A 70 10.818 2.260 -2.003 1.00 0.74 C ATOM 1123 CG LYS A 70 10.975 3.545 -2.817 1.00 1.31 C ATOM 1124 CD LYS A 70 11.909 3.295 -4.016 1.00 1.98 C ATOM 1125 CE LYS A 70 13.291 2.713 -3.653 1.00 2.62 C ATOM 1126 NZ LYS A 70 13.301 1.226 -3.571 1.00 3.42 N ATOM 0 H LYS A 70 10.525 0.298 -0.773 1.00 0.82 H new ATOM 0 HA LYS A 70 9.525 2.938 -0.377 1.00 0.72 H new ATOM 0 HB2 LYS A 70 11.705 2.150 -1.379 1.00 0.74 H new ATOM 0 HB3 LYS A 70 10.812 1.422 -2.700 1.00 0.74 H new ATOM 0 HG2 LYS A 70 10.001 3.885 -3.168 1.00 1.31 H new ATOM 0 HG3 LYS A 70 11.381 4.337 -2.188 1.00 1.31 H new ATOM 0 HD2 LYS A 70 11.414 2.613 -4.707 1.00 1.98 H new ATOM 0 HD3 LYS A 70 12.055 4.236 -4.546 1.00 1.98 H new ATOM 0 HE2 LYS A 70 14.020 3.034 -4.398 1.00 2.62 H new ATOM 0 HE3 LYS A 70 13.611 3.125 -2.696 1.00 2.62 H new ATOM 0 HZ1 LYS A 70 14.202 0.864 -3.943 1.00 3.42 H new ATOM 0 HZ2 LYS A 70 13.193 0.932 -2.579 1.00 3.42 H new ATOM 0 HZ3 LYS A 70 12.515 0.842 -4.134 1.00 3.42 H new ATOM 1140 N GLU A 71 8.189 1.235 -2.880 1.00 0.75 N ATOM 1141 CA GLU A 71 7.070 1.174 -3.811 1.00 0.71 C ATOM 1142 C GLU A 71 5.752 0.965 -3.062 1.00 0.61 C ATOM 1143 O GLU A 71 4.744 1.602 -3.346 1.00 0.65 O ATOM 1144 CB GLU A 71 7.307 0.083 -4.856 1.00 0.77 C ATOM 1145 CG GLU A 71 8.525 0.443 -5.725 1.00 1.00 C ATOM 1146 CD GLU A 71 8.233 0.197 -7.202 1.00 1.49 C ATOM 1147 OE1 GLU A 71 7.219 0.709 -7.724 1.00 1.98 O ATOM 1148 OE2 GLU A 71 8.963 -0.609 -7.816 1.00 2.54 O ATOM 0 H GLU A 71 8.866 0.482 -3.007 1.00 0.75 H new ATOM 0 HA GLU A 71 6.997 2.127 -4.336 1.00 0.71 H new ATOM 0 HB2 GLU A 71 7.472 -0.875 -4.363 1.00 0.77 H new ATOM 0 HB3 GLU A 71 6.423 -0.030 -5.483 1.00 0.77 H new ATOM 0 HG2 GLU A 71 8.789 1.489 -5.572 1.00 1.00 H new ATOM 0 HG3 GLU A 71 9.385 -0.151 -5.416 1.00 1.00 H new ATOM 1155 N TYR A 72 5.815 0.174 -1.995 1.00 0.58 N ATOM 1156 CA TYR A 72 4.735 0.031 -1.023 1.00 0.57 C ATOM 1157 C TYR A 72 4.386 1.370 -0.341 1.00 0.54 C ATOM 1158 O TYR A 72 3.220 1.761 -0.319 1.00 0.54 O ATOM 1159 CB TYR A 72 5.191 -1.050 -0.040 1.00 0.64 C ATOM 1160 CG TYR A 72 4.292 -1.325 1.152 1.00 0.59 C ATOM 1161 CD1 TYR A 72 3.001 -1.842 0.956 1.00 1.61 C ATOM 1162 CD2 TYR A 72 4.775 -1.152 2.463 1.00 1.70 C ATOM 1163 CE1 TYR A 72 2.237 -2.289 2.044 1.00 1.76 C ATOM 1164 CE2 TYR A 72 4.013 -1.602 3.561 1.00 1.61 C ATOM 1165 CZ TYR A 72 2.759 -2.216 3.352 1.00 0.74 C ATOM 1166 OH TYR A 72 2.043 -2.731 4.385 1.00 0.93 O ATOM 0 H TYR A 72 6.632 -0.396 -1.777 1.00 0.58 H new ATOM 0 HA TYR A 72 3.803 -0.267 -1.504 1.00 0.57 H new ATOM 0 HB2 TYR A 72 5.313 -1.981 -0.594 1.00 0.64 H new ATOM 0 HB3 TYR A 72 6.176 -0.772 0.336 1.00 0.64 H new ATOM 0 HD1 TYR A 72 2.592 -1.896 -0.042 1.00 1.61 H new ATOM 0 HD2 TYR A 72 5.730 -0.674 2.628 1.00 1.70 H new ATOM 0 HE1 TYR A 72 1.248 -2.690 1.880 1.00 1.76 H new ATOM 0 HE2 TYR A 72 4.390 -1.476 4.565 1.00 1.61 H new ATOM 0 HH TYR A 72 2.608 -2.774 5.185 1.00 0.93 H new ATOM 1176 N SER A 73 5.369 2.115 0.174 1.00 0.56 N ATOM 1177 CA SER A 73 5.124 3.386 0.871 1.00 0.58 C ATOM 1178 C SER A 73 4.549 4.481 -0.037 1.00 0.54 C ATOM 1179 O SER A 73 3.660 5.210 0.410 1.00 0.58 O ATOM 1180 CB SER A 73 6.409 3.893 1.535 1.00 0.66 C ATOM 1181 OG SER A 73 7.325 4.448 0.601 1.00 1.24 O ATOM 0 H SER A 73 6.354 1.857 0.121 1.00 0.56 H new ATOM 0 HA SER A 73 4.370 3.171 1.628 1.00 0.58 H new ATOM 0 HB2 SER A 73 6.155 4.646 2.281 1.00 0.66 H new ATOM 0 HB3 SER A 73 6.889 3.070 2.064 1.00 0.66 H new ATOM 0 HG SER A 73 7.406 3.851 -0.172 1.00 1.24 H new ATOM 1187 N VAL A 74 4.998 4.578 -1.299 1.00 0.50 N ATOM 1188 CA VAL A 74 4.451 5.551 -2.249 1.00 0.51 C ATOM 1189 C VAL A 74 3.068 5.135 -2.713 1.00 0.51 C ATOM 1190 O VAL A 74 2.254 6.014 -2.932 1.00 0.52 O ATOM 1191 CB VAL A 74 5.336 5.835 -3.482 1.00 0.56 C ATOM 1192 CG1 VAL A 74 6.654 6.486 -3.055 1.00 0.60 C ATOM 1193 CG2 VAL A 74 5.627 4.616 -4.356 1.00 0.65 C ATOM 0 H VAL A 74 5.740 3.992 -1.682 1.00 0.50 H new ATOM 0 HA VAL A 74 4.408 6.483 -1.685 1.00 0.51 H new ATOM 0 HB VAL A 74 4.751 6.516 -4.100 1.00 0.56 H new ATOM 0 HG11 VAL A 74 7.266 6.680 -3.936 1.00 0.60 H new ATOM 0 HG12 VAL A 74 6.447 7.426 -2.543 1.00 0.60 H new ATOM 0 HG13 VAL A 74 7.189 5.817 -2.381 1.00 0.60 H new ATOM 0 HG21 VAL A 74 6.255 4.912 -5.196 1.00 0.65 H new ATOM 0 HG22 VAL A 74 6.145 3.860 -3.765 1.00 0.65 H new ATOM 0 HG23 VAL A 74 4.690 4.205 -4.730 1.00 0.65 H new ATOM 1203 N PHE A 75 2.762 3.836 -2.811 1.00 0.53 N ATOM 1204 CA PHE A 75 1.415 3.379 -3.149 1.00 0.56 C ATOM 1205 C PHE A 75 0.448 3.689 -2.007 1.00 0.57 C ATOM 1206 O PHE A 75 -0.585 4.303 -2.248 1.00 0.59 O ATOM 1207 CB PHE A 75 1.446 1.874 -3.453 1.00 0.65 C ATOM 1208 CG PHE A 75 0.263 1.402 -4.270 1.00 0.59 C ATOM 1209 CD1 PHE A 75 -1.042 1.376 -3.731 1.00 1.96 C ATOM 1210 CD2 PHE A 75 0.475 1.004 -5.600 1.00 1.65 C ATOM 1211 CE1 PHE A 75 -2.126 0.968 -4.530 1.00 1.94 C ATOM 1212 CE2 PHE A 75 -0.606 0.596 -6.393 1.00 1.65 C ATOM 1213 CZ PHE A 75 -1.902 0.573 -5.861 1.00 0.55 C ATOM 0 H PHE A 75 3.433 3.083 -2.660 1.00 0.53 H new ATOM 0 HA PHE A 75 1.064 3.907 -4.036 1.00 0.56 H new ATOM 0 HB2 PHE A 75 2.366 1.638 -3.989 1.00 0.65 H new ATOM 0 HB3 PHE A 75 1.473 1.322 -2.514 1.00 0.65 H new ATOM 0 HD1 PHE A 75 -1.208 1.669 -2.705 1.00 1.96 H new ATOM 0 HD2 PHE A 75 1.473 1.012 -6.012 1.00 1.65 H new ATOM 0 HE1 PHE A 75 -3.126 0.958 -4.123 1.00 1.94 H new ATOM 0 HE2 PHE A 75 -0.440 0.298 -7.418 1.00 1.65 H new ATOM 0 HZ PHE A 75 -2.731 0.251 -6.474 1.00 0.55 H new ATOM 1223 N LEU A 76 0.789 3.332 -0.761 1.00 0.57 N ATOM 1224 CA LEU A 76 -0.024 3.640 0.419 1.00 0.60 C ATOM 1225 C LEU A 76 -0.149 5.146 0.677 1.00 0.66 C ATOM 1226 O LEU A 76 -1.238 5.600 1.032 1.00 0.77 O ATOM 1227 CB LEU A 76 0.562 2.927 1.649 1.00 0.57 C ATOM 1228 CG LEU A 76 0.483 1.386 1.623 1.00 0.55 C ATOM 1229 CD1 LEU A 76 1.098 0.869 2.926 1.00 0.96 C ATOM 1230 CD2 LEU A 76 -0.956 0.872 1.484 1.00 0.59 C ATOM 0 H LEU A 76 1.643 2.818 -0.544 1.00 0.57 H new ATOM 0 HA LEU A 76 -1.033 3.276 0.226 1.00 0.60 H new ATOM 0 HB2 LEU A 76 1.607 3.218 1.753 1.00 0.57 H new ATOM 0 HB3 LEU A 76 0.042 3.285 2.537 1.00 0.57 H new ATOM 0 HG LEU A 76 1.027 1.021 0.752 1.00 0.55 H new ATOM 0 HD11 LEU A 76 1.058 -0.220 2.940 1.00 0.96 H new ATOM 0 HD12 LEU A 76 2.136 1.195 2.993 1.00 0.96 H new ATOM 0 HD13 LEU A 76 0.538 1.264 3.774 1.00 0.96 H new ATOM 0 HD21 LEU A 76 -0.953 -0.218 1.471 1.00 0.59 H new ATOM 0 HD22 LEU A 76 -1.551 1.223 2.327 1.00 0.59 H new ATOM 0 HD23 LEU A 76 -1.387 1.245 0.555 1.00 0.59 H new ATOM 1242 N THR A 77 0.911 5.928 0.442 1.00 0.61 N ATOM 1243 CA THR A 77 0.859 7.392 0.555 1.00 0.62 C ATOM 1244 C THR A 77 0.024 7.994 -0.560 1.00 0.63 C ATOM 1245 O THR A 77 -0.845 8.797 -0.265 1.00 0.67 O ATOM 1246 CB THR A 77 2.243 8.029 0.599 1.00 0.67 C ATOM 1247 OG1 THR A 77 2.923 7.502 1.709 1.00 0.69 O ATOM 1248 CG2 THR A 77 2.110 9.543 0.773 1.00 0.77 C ATOM 0 H THR A 77 1.825 5.567 0.169 1.00 0.61 H new ATOM 0 HA THR A 77 0.380 7.613 1.509 1.00 0.62 H new ATOM 0 HB THR A 77 2.782 7.821 -0.325 1.00 0.67 H new ATOM 0 HG1 THR A 77 3.298 6.627 1.477 1.00 0.69 H new ATOM 0 HG21 THR A 77 3.102 9.994 0.804 1.00 0.77 H new ATOM 0 HG22 THR A 77 1.549 9.958 -0.064 1.00 0.77 H new ATOM 0 HG23 THR A 77 1.585 9.758 1.704 1.00 0.77 H new ATOM 1256 N MET A 78 0.234 7.600 -1.818 1.00 0.63 N ATOM 1257 CA MET A 78 -0.601 8.012 -2.955 1.00 0.65 C ATOM 1258 C MET A 78 -2.075 7.671 -2.726 1.00 0.72 C ATOM 1259 O MET A 78 -2.942 8.483 -3.026 1.00 0.78 O ATOM 1260 CB MET A 78 -0.078 7.318 -4.223 1.00 0.64 C ATOM 1261 CG MET A 78 -0.719 7.794 -5.525 1.00 1.04 C ATOM 1262 SD MET A 78 0.312 8.960 -6.450 1.00 1.83 S ATOM 1263 CE MET A 78 1.386 7.715 -7.220 1.00 1.93 C ATOM 0 H MET A 78 0.998 6.978 -2.082 1.00 0.63 H new ATOM 0 HA MET A 78 -0.539 9.094 -3.067 1.00 0.65 H new ATOM 0 HB2 MET A 78 0.999 7.473 -4.287 1.00 0.64 H new ATOM 0 HB3 MET A 78 -0.240 6.245 -4.126 1.00 0.64 H new ATOM 0 HG2 MET A 78 -0.931 6.930 -6.154 1.00 1.04 H new ATOM 0 HG3 MET A 78 -1.675 8.266 -5.299 1.00 1.04 H new ATOM 0 HE1 MET A 78 2.122 8.211 -7.853 1.00 1.93 H new ATOM 0 HE2 MET A 78 1.899 7.147 -6.444 1.00 1.93 H new ATOM 0 HE3 MET A 78 0.783 7.039 -7.826 1.00 1.93 H new ATOM 1273 N LEU A 79 -2.362 6.488 -2.181 1.00 0.74 N ATOM 1274 CA LEU A 79 -3.712 6.033 -1.862 1.00 0.84 C ATOM 1275 C LEU A 79 -4.323 6.857 -0.726 1.00 0.90 C ATOM 1276 O LEU A 79 -5.436 7.345 -0.878 1.00 0.97 O ATOM 1277 CB LEU A 79 -3.650 4.529 -1.550 1.00 0.93 C ATOM 1278 CG LEU A 79 -5.017 3.880 -1.283 1.00 1.34 C ATOM 1279 CD1 LEU A 79 -6.015 4.188 -2.412 1.00 1.50 C ATOM 1280 CD2 LEU A 79 -4.803 2.367 -1.119 1.00 2.33 C ATOM 0 H LEU A 79 -1.643 5.804 -1.944 1.00 0.74 H new ATOM 0 HA LEU A 79 -4.375 6.183 -2.714 1.00 0.84 H new ATOM 0 HB2 LEU A 79 -3.175 4.016 -2.386 1.00 0.93 H new ATOM 0 HB3 LEU A 79 -3.013 4.377 -0.679 1.00 0.93 H new ATOM 0 HG LEU A 79 -5.449 4.292 -0.371 1.00 1.34 H new ATOM 0 HD11 LEU A 79 -6.971 3.714 -2.192 1.00 1.50 H new ATOM 0 HD12 LEU A 79 -6.154 5.266 -2.491 1.00 1.50 H new ATOM 0 HD13 LEU A 79 -5.628 3.802 -3.355 1.00 1.50 H new ATOM 0 HD21 LEU A 79 -5.761 1.883 -0.928 1.00 2.33 H new ATOM 0 HD22 LEU A 79 -4.366 1.960 -2.031 1.00 2.33 H new ATOM 0 HD23 LEU A 79 -4.130 2.183 -0.281 1.00 2.33 H new ATOM 1292 N CYS A 80 -3.608 7.094 0.376 1.00 0.90 N ATOM 1293 CA CYS A 80 -4.115 7.988 1.423 1.00 0.93 C ATOM 1294 C CYS A 80 -4.254 9.448 0.936 1.00 1.03 C ATOM 1295 O CYS A 80 -5.160 10.152 1.371 1.00 1.27 O ATOM 1296 CB CYS A 80 -3.215 7.856 2.654 1.00 1.03 C ATOM 1297 SG CYS A 80 -4.058 8.677 4.033 1.00 1.13 S ATOM 0 H CYS A 80 -2.692 6.688 0.567 1.00 0.90 H new ATOM 0 HA CYS A 80 -5.128 7.689 1.693 1.00 0.93 H new ATOM 0 HB2 CYS A 80 -3.033 6.807 2.886 1.00 1.03 H new ATOM 0 HB3 CYS A 80 -2.244 8.315 2.470 1.00 1.03 H new ATOM 0 HG CYS A 80 -4.860 9.589 3.570 1.00 1.13 H new ATOM 1303 N MET A 81 -3.400 9.884 0.007 1.00 0.97 N ATOM 1304 CA MET A 81 -3.480 11.171 -0.698 1.00 1.04 C ATOM 1305 C MET A 81 -4.647 11.224 -1.699 1.00 1.10 C ATOM 1306 O MET A 81 -5.030 12.293 -2.157 1.00 1.24 O ATOM 1307 CB MET A 81 -2.102 11.480 -1.307 1.00 1.13 C ATOM 1308 CG MET A 81 -1.986 12.856 -1.986 1.00 1.69 C ATOM 1309 SD MET A 81 -1.523 12.833 -3.740 1.00 2.99 S ATOM 1310 CE MET A 81 -2.805 11.784 -4.458 1.00 4.35 C ATOM 0 H MET A 81 -2.598 9.328 -0.289 1.00 0.97 H new ATOM 0 HA MET A 81 -3.719 11.967 0.007 1.00 1.04 H new ATOM 0 HB2 MET A 81 -1.351 11.415 -0.520 1.00 1.13 H new ATOM 0 HB3 MET A 81 -1.864 10.709 -2.039 1.00 1.13 H new ATOM 0 HG2 MET A 81 -2.942 13.370 -1.889 1.00 1.69 H new ATOM 0 HG3 MET A 81 -1.249 13.448 -1.443 1.00 1.69 H new ATOM 0 HE1 MET A 81 -2.598 11.630 -5.517 1.00 4.35 H new ATOM 0 HE2 MET A 81 -2.816 10.822 -3.947 1.00 4.35 H new ATOM 0 HE3 MET A 81 -3.776 12.267 -4.345 1.00 4.35 H new ATOM 1320 N ALA A 82 -5.261 10.081 -2.022 1.00 1.10 N ATOM 1321 CA ALA A 82 -6.451 10.023 -2.855 1.00 1.23 C ATOM 1322 C ALA A 82 -7.753 10.336 -2.080 1.00 1.36 C ATOM 1323 O ALA A 82 -8.816 10.345 -2.698 1.00 1.53 O ATOM 1324 CB ALA A 82 -6.467 8.679 -3.596 1.00 1.26 C ATOM 0 H ALA A 82 -4.938 9.166 -1.706 1.00 1.10 H new ATOM 0 HA ALA A 82 -6.409 10.819 -3.598 1.00 1.23 H new ATOM 0 HB1 ALA A 82 -7.355 8.621 -4.225 1.00 1.26 H new ATOM 0 HB2 ALA A 82 -5.575 8.596 -4.218 1.00 1.26 H new ATOM 0 HB3 ALA A 82 -6.482 7.864 -2.872 1.00 1.26 H new ATOM 1330 N TYR A 83 -7.719 10.587 -0.762 1.00 1.35 N ATOM 1331 CA TYR A 83 -8.912 10.899 0.056 1.00 1.51 C ATOM 1332 C TYR A 83 -8.620 11.540 1.431 1.00 1.63 C ATOM 1333 O TYR A 83 -9.468 11.519 2.324 1.00 2.09 O ATOM 1334 CB TYR A 83 -9.826 9.659 0.179 1.00 1.56 C ATOM 1335 CG TYR A 83 -9.149 8.406 0.696 1.00 1.41 C ATOM 1336 CD1 TYR A 83 -8.872 8.250 2.068 1.00 2.66 C ATOM 1337 CD2 TYR A 83 -8.784 7.393 -0.209 1.00 1.51 C ATOM 1338 CE1 TYR A 83 -8.220 7.094 2.534 1.00 2.62 C ATOM 1339 CE2 TYR A 83 -8.162 6.222 0.248 1.00 1.67 C ATOM 1340 CZ TYR A 83 -7.867 6.067 1.624 1.00 1.50 C ATOM 1341 OH TYR A 83 -7.242 4.941 2.066 1.00 1.73 O ATOM 0 H TYR A 83 -6.853 10.580 -0.223 1.00 1.35 H new ATOM 0 HA TYR A 83 -9.440 11.681 -0.489 1.00 1.51 H new ATOM 0 HB2 TYR A 83 -10.656 9.904 0.842 1.00 1.56 H new ATOM 0 HB3 TYR A 83 -10.253 9.444 -0.801 1.00 1.56 H new ATOM 0 HD1 TYR A 83 -9.162 9.022 2.766 1.00 2.66 H new ATOM 0 HD2 TYR A 83 -8.984 7.518 -1.263 1.00 1.51 H new ATOM 0 HE1 TYR A 83 -7.989 6.989 3.584 1.00 2.62 H new ATOM 0 HE2 TYR A 83 -7.908 5.438 -0.450 1.00 1.67 H new ATOM 0 HH TYR A 83 -7.074 4.341 1.309 1.00 1.73 H new ATOM 1351 N ASN A 84 -7.435 12.128 1.628 1.00 1.54 N ATOM 1352 CA ASN A 84 -7.078 12.887 2.835 1.00 1.70 C ATOM 1353 C ASN A 84 -7.663 14.308 2.876 1.00 1.67 C ATOM 1354 O ASN A 84 -7.277 15.120 3.719 1.00 2.13 O ATOM 1355 CB ASN A 84 -5.560 12.829 3.092 1.00 1.82 C ATOM 1356 CG ASN A 84 -4.694 13.326 1.947 1.00 2.85 C ATOM 1357 OD1 ASN A 84 -5.149 13.621 0.858 1.00 4.00 O ATOM 1358 ND2 ASN A 84 -3.392 13.405 2.139 1.00 3.38 N ATOM 0 H ASN A 84 -6.682 12.090 0.941 1.00 1.54 H new ATOM 0 HA ASN A 84 -7.563 12.391 3.676 1.00 1.70 H new ATOM 0 HB2 ASN A 84 -5.335 13.419 3.980 1.00 1.82 H new ATOM 0 HB3 ASN A 84 -5.284 11.798 3.315 1.00 1.82 H new ATOM 0 HD21 ASN A 84 -2.782 13.710 1.380 1.00 3.38 H new ATOM 0 HD22 ASN A 84 -2.995 13.161 3.046 1.00 3.38 H new ATOM 1365 N ASP A 85 -8.681 14.569 2.054 1.00 1.56 N ATOM 1366 CA ASP A 85 -9.508 15.769 2.090 1.00 1.57 C ATOM 1367 C ASP A 85 -10.352 15.899 3.376 1.00 1.61 C ATOM 1368 O ASP A 85 -10.968 16.933 3.625 1.00 1.81 O ATOM 1369 CB ASP A 85 -10.435 15.789 0.861 1.00 2.07 C ATOM 1370 CG ASP A 85 -9.765 15.302 -0.427 1.00 3.27 C ATOM 1371 OD1 ASP A 85 -9.143 16.141 -1.114 1.00 4.52 O ATOM 1372 OD2 ASP A 85 -9.873 14.077 -0.686 1.00 3.78 O ATOM 0 H ASP A 85 -8.960 13.922 1.317 1.00 1.56 H new ATOM 0 HA ASP A 85 -8.827 16.620 2.078 1.00 1.57 H new ATOM 0 HB2 ASP A 85 -11.306 15.166 1.064 1.00 2.07 H new ATOM 0 HB3 ASP A 85 -10.799 16.805 0.708 1.00 2.07 H new ATOM 1377 N PHE A 86 -10.350 14.874 4.237 1.00 1.87 N ATOM 1378 CA PHE A 86 -10.817 14.979 5.622 1.00 2.32 C ATOM 1379 C PHE A 86 -9.946 15.912 6.489 1.00 2.37 C ATOM 1380 O PHE A 86 -10.358 16.258 7.596 1.00 2.89 O ATOM 1381 CB PHE A 86 -10.868 13.573 6.239 1.00 2.68 C ATOM 1382 CG PHE A 86 -11.957 12.685 5.673 1.00 3.06 C ATOM 1383 CD1 PHE A 86 -13.308 12.957 5.971 1.00 3.49 C ATOM 1384 CD2 PHE A 86 -11.634 11.588 4.855 1.00 3.91 C ATOM 1385 CE1 PHE A 86 -14.326 12.142 5.449 1.00 4.23 C ATOM 1386 CE2 PHE A 86 -12.653 10.774 4.327 1.00 4.77 C ATOM 1387 CZ PHE A 86 -14.001 11.052 4.624 1.00 4.75 C ATOM 0 H PHE A 86 -10.021 13.941 3.988 1.00 1.87 H new ATOM 0 HA PHE A 86 -11.811 15.426 5.601 1.00 2.32 H new ATOM 0 HB2 PHE A 86 -9.904 13.087 6.088 1.00 2.68 H new ATOM 0 HB3 PHE A 86 -11.013 13.666 7.315 1.00 2.68 H new ATOM 0 HD1 PHE A 86 -13.561 13.795 6.603 1.00 3.49 H new ATOM 0 HD2 PHE A 86 -10.600 11.369 4.631 1.00 3.91 H new ATOM 0 HE1 PHE A 86 -15.359 12.353 5.682 1.00 4.23 H new ATOM 0 HE2 PHE A 86 -12.401 9.936 3.694 1.00 4.77 H new ATOM 0 HZ PHE A 86 -14.784 10.428 4.218 1.00 4.75 H new ATOM 1397 N PHE A 87 -8.753 16.303 6.021 1.00 2.06 N ATOM 1398 CA PHE A 87 -7.736 17.013 6.809 1.00 2.43 C ATOM 1399 C PHE A 87 -7.158 18.251 6.089 1.00 2.43 C ATOM 1400 O PHE A 87 -5.997 18.586 6.316 1.00 2.87 O ATOM 1401 CB PHE A 87 -6.604 16.030 7.174 1.00 2.73 C ATOM 1402 CG PHE A 87 -7.002 14.602 7.510 1.00 3.02 C ATOM 1403 CD1 PHE A 87 -7.907 14.311 8.545 1.00 3.92 C ATOM 1404 CD2 PHE A 87 -6.470 13.553 6.742 1.00 3.11 C ATOM 1405 CE1 PHE A 87 -8.295 12.979 8.789 1.00 4.47 C ATOM 1406 CE2 PHE A 87 -6.865 12.226 6.970 1.00 3.69 C ATOM 1407 CZ PHE A 87 -7.777 11.938 7.998 1.00 4.21 C ATOM 0 H PHE A 87 -8.461 16.130 5.059 1.00 2.06 H new ATOM 0 HA PHE A 87 -8.224 17.387 7.709 1.00 2.43 H new ATOM 0 HB2 PHE A 87 -5.903 15.997 6.340 1.00 2.73 H new ATOM 0 HB3 PHE A 87 -6.064 16.439 8.028 1.00 2.73 H new ATOM 0 HD1 PHE A 87 -8.305 15.109 9.154 1.00 3.92 H new ATOM 0 HD2 PHE A 87 -5.749 13.770 5.968 1.00 3.11 H new ATOM 0 HE1 PHE A 87 -8.991 12.757 9.584 1.00 4.47 H new ATOM 0 HE2 PHE A 87 -6.469 11.430 6.357 1.00 3.69 H new ATOM 0 HZ PHE A 87 -8.080 10.918 8.181 1.00 4.21 H new ATOM 1417 N LEU A 88 -7.906 18.894 5.178 1.00 2.20 N ATOM 1418 CA LEU A 88 -7.458 20.083 4.430 1.00 2.39 C ATOM 1419 C LEU A 88 -8.059 21.403 4.963 1.00 2.97 C ATOM 1420 O LEU A 88 -8.552 21.437 6.083 1.00 3.39 O ATOM 1421 CB LEU A 88 -7.629 19.820 2.917 1.00 2.02 C ATOM 1422 CG LEU A 88 -9.025 19.480 2.371 1.00 2.37 C ATOM 1423 CD1 LEU A 88 -10.140 20.448 2.756 1.00 4.26 C ATOM 1424 CD2 LEU A 88 -8.928 19.366 0.845 1.00 3.15 C ATOM 0 H LEU A 88 -8.852 18.600 4.936 1.00 2.20 H new ATOM 0 HA LEU A 88 -6.393 20.245 4.598 1.00 2.39 H new ATOM 0 HB2 LEU A 88 -7.276 20.705 2.388 1.00 2.02 H new ATOM 0 HB3 LEU A 88 -6.962 19.000 2.648 1.00 2.02 H new ATOM 0 HG LEU A 88 -9.315 18.539 2.838 1.00 2.37 H new ATOM 0 HD11 LEU A 88 -11.080 20.113 2.318 1.00 4.26 H new ATOM 0 HD12 LEU A 88 -10.236 20.479 3.841 1.00 4.26 H new ATOM 0 HD13 LEU A 88 -9.901 21.444 2.384 1.00 4.26 H new ATOM 0 HD21 LEU A 88 -9.909 19.125 0.435 1.00 3.15 H new ATOM 0 HD22 LEU A 88 -8.585 20.314 0.430 1.00 3.15 H new ATOM 0 HD23 LEU A 88 -8.222 18.578 0.583 1.00 3.15 H new ATOM 1517 N GLU B 2 -10.220 1.858 10.883 1.00 2.38 N ATOM 1518 CA GLU B 2 -10.418 0.659 11.722 1.00 1.90 C ATOM 1519 C GLU B 2 -9.350 -0.459 11.613 1.00 1.82 C ATOM 1520 O GLU B 2 -8.961 -0.993 12.648 1.00 2.64 O ATOM 1521 CB GLU B 2 -11.851 0.132 11.472 1.00 2.17 C ATOM 1522 CG GLU B 2 -12.147 -0.543 10.121 1.00 2.96 C ATOM 1523 CD GLU B 2 -11.734 0.286 8.900 1.00 3.96 C ATOM 1524 OE1 GLU B 2 -10.517 0.345 8.607 1.00 4.65 O ATOM 1525 OE2 GLU B 2 -12.597 0.923 8.276 1.00 4.77 O ATOM 0 HA GLU B 2 -10.285 0.982 12.755 1.00 1.90 H new ATOM 0 HB2 GLU B 2 -12.086 -0.582 12.261 1.00 2.17 H new ATOM 0 HB3 GLU B 2 -12.539 0.970 11.585 1.00 2.17 H new ATOM 0 HG2 GLU B 2 -11.631 -1.502 10.086 1.00 2.96 H new ATOM 0 HG3 GLU B 2 -13.215 -0.753 10.059 1.00 2.96 H new ATOM 1532 N THR B 3 -8.865 -0.787 10.411 1.00 1.14 N ATOM 1533 CA THR B 3 -8.098 -1.990 10.019 1.00 1.06 C ATOM 1534 C THR B 3 -6.590 -1.919 10.310 1.00 0.89 C ATOM 1535 O THR B 3 -6.064 -0.823 10.475 1.00 0.96 O ATOM 1536 CB THR B 3 -8.356 -2.305 8.535 1.00 1.27 C ATOM 1537 OG1 THR B 3 -8.544 -1.148 7.737 1.00 1.86 O ATOM 1538 CG2 THR B 3 -9.589 -3.196 8.419 1.00 1.93 C ATOM 0 H THR B 3 -9.008 -0.168 9.613 1.00 1.14 H new ATOM 0 HA THR B 3 -8.463 -2.800 10.650 1.00 1.06 H new ATOM 0 HB THR B 3 -7.465 -2.808 8.160 1.00 1.27 H new ATOM 0 HG1 THR B 3 -9.453 -0.806 7.866 1.00 1.86 H new ATOM 0 HG21 THR B 3 -9.777 -3.423 7.369 1.00 1.93 H new ATOM 0 HG22 THR B 3 -9.420 -4.124 8.966 1.00 1.93 H new ATOM 0 HG23 THR B 3 -10.452 -2.679 8.839 1.00 1.93 H new ATOM 1546 N PRO B 4 -5.860 -3.053 10.392 1.00 1.00 N ATOM 1547 CA PRO B 4 -4.502 -3.073 10.945 1.00 1.17 C ATOM 1548 C PRO B 4 -3.511 -2.191 10.177 1.00 1.07 C ATOM 1549 O PRO B 4 -2.813 -1.399 10.807 1.00 1.16 O ATOM 1550 CB PRO B 4 -4.077 -4.546 10.995 1.00 1.48 C ATOM 1551 CG PRO B 4 -5.039 -5.255 10.045 1.00 1.50 C ATOM 1552 CD PRO B 4 -6.310 -4.412 10.140 1.00 1.23 C ATOM 0 HA PRO B 4 -4.499 -2.635 11.943 1.00 1.17 H new ATOM 0 HB2 PRO B 4 -3.042 -4.671 10.678 1.00 1.48 H new ATOM 0 HB3 PRO B 4 -4.151 -4.946 12.006 1.00 1.48 H new ATOM 0 HG2 PRO B 4 -4.651 -5.284 9.027 1.00 1.50 H new ATOM 0 HG3 PRO B 4 -5.217 -6.287 10.348 1.00 1.50 H new ATOM 0 HD2 PRO B 4 -6.888 -4.469 9.218 1.00 1.23 H new ATOM 0 HD3 PRO B 4 -6.956 -4.766 10.943 1.00 1.23 H new ATOM 1560 N LEU B 5 -3.472 -2.257 8.838 1.00 0.95 N ATOM 1561 CA LEU B 5 -2.567 -1.401 8.062 1.00 0.88 C ATOM 1562 C LEU B 5 -2.990 0.072 8.102 1.00 0.79 C ATOM 1563 O LEU B 5 -2.131 0.953 8.123 1.00 0.85 O ATOM 1564 CB LEU B 5 -2.464 -1.954 6.630 1.00 0.90 C ATOM 1565 CG LEU B 5 -1.615 -1.134 5.641 1.00 0.97 C ATOM 1566 CD1 LEU B 5 -0.180 -0.909 6.143 1.00 1.39 C ATOM 1567 CD2 LEU B 5 -1.582 -1.881 4.299 1.00 1.69 C ATOM 0 H LEU B 5 -4.048 -2.885 8.278 1.00 0.95 H new ATOM 0 HA LEU B 5 -1.575 -1.423 8.514 1.00 0.88 H new ATOM 0 HB2 LEU B 5 -2.051 -2.962 6.681 1.00 0.90 H new ATOM 0 HB3 LEU B 5 -3.472 -2.042 6.224 1.00 0.90 H new ATOM 0 HG LEU B 5 -2.071 -0.150 5.533 1.00 0.97 H new ATOM 0 HD11 LEU B 5 0.375 -0.326 5.408 1.00 1.39 H new ATOM 0 HD12 LEU B 5 -0.206 -0.370 7.090 1.00 1.39 H new ATOM 0 HD13 LEU B 5 0.310 -1.872 6.287 1.00 1.39 H new ATOM 0 HD21 LEU B 5 -0.985 -1.316 3.583 1.00 1.69 H new ATOM 0 HD22 LEU B 5 -1.140 -2.867 4.442 1.00 1.69 H new ATOM 0 HD23 LEU B 5 -2.598 -1.990 3.918 1.00 1.69 H new ATOM 1579 N GLU B 6 -4.292 0.359 8.181 1.00 0.77 N ATOM 1580 CA GLU B 6 -4.771 1.743 8.177 1.00 0.76 C ATOM 1581 C GLU B 6 -4.330 2.497 9.430 1.00 0.78 C ATOM 1582 O GLU B 6 -4.146 3.706 9.382 1.00 0.84 O ATOM 1583 CB GLU B 6 -6.281 1.840 7.908 1.00 0.78 C ATOM 1584 CG GLU B 6 -7.240 1.914 9.100 1.00 1.76 C ATOM 1585 CD GLU B 6 -7.282 3.250 9.825 1.00 2.67 C ATOM 1586 OE1 GLU B 6 -7.303 4.311 9.173 1.00 2.94 O ATOM 1587 OE2 GLU B 6 -7.501 3.270 11.057 1.00 3.97 O ATOM 0 H GLU B 6 -5.029 -0.343 8.248 1.00 0.77 H new ATOM 0 HA GLU B 6 -4.295 2.247 7.336 1.00 0.76 H new ATOM 0 HB2 GLU B 6 -6.450 2.724 7.293 1.00 0.78 H new ATOM 0 HB3 GLU B 6 -6.566 0.975 7.309 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -8.245 1.678 8.750 1.00 1.76 H new ATOM 0 HG3 GLU B 6 -6.962 1.141 9.816 1.00 1.76 H new ATOM 1594 N LYS B 7 -4.091 1.798 10.547 1.00 0.80 N ATOM 1595 CA LYS B 7 -3.612 2.441 11.778 1.00 0.88 C ATOM 1596 C LYS B 7 -2.290 3.182 11.536 1.00 0.81 C ATOM 1597 O LYS B 7 -2.050 4.226 12.144 1.00 0.94 O ATOM 1598 CB LYS B 7 -3.460 1.444 12.945 1.00 1.10 C ATOM 1599 CG LYS B 7 -4.588 0.425 13.170 1.00 1.61 C ATOM 1600 CD LYS B 7 -6.014 0.930 12.941 1.00 2.18 C ATOM 1601 CE LYS B 7 -6.541 1.901 13.991 1.00 2.65 C ATOM 1602 NZ LYS B 7 -7.923 2.275 13.618 1.00 3.46 N ATOM 0 H LYS B 7 -4.221 0.789 10.624 1.00 0.80 H new ATOM 0 HA LYS B 7 -4.375 3.165 12.066 1.00 0.88 H new ATOM 0 HB2 LYS B 7 -2.534 0.890 12.793 1.00 1.10 H new ATOM 0 HB3 LYS B 7 -3.341 2.019 13.863 1.00 1.10 H new ATOM 0 HG2 LYS B 7 -4.417 -0.426 12.511 1.00 1.61 H new ATOM 0 HG3 LYS B 7 -4.516 0.056 14.193 1.00 1.61 H new ATOM 0 HD2 LYS B 7 -6.057 1.417 11.967 1.00 2.18 H new ATOM 0 HD3 LYS B 7 -6.683 0.071 12.897 1.00 2.18 H new ATOM 0 HE2 LYS B 7 -6.525 1.440 14.978 1.00 2.65 H new ATOM 0 HE3 LYS B 7 -5.908 2.787 14.043 1.00 2.65 H new ATOM 0 HZ1 LYS B 7 -8.201 3.134 14.134 1.00 3.46 H new ATOM 0 HZ2 LYS B 7 -7.970 2.455 12.595 1.00 3.46 H new ATOM 0 HZ3 LYS B 7 -8.571 1.499 13.863 1.00 3.46 H new ATOM 1616 N ALA B 8 -1.468 2.693 10.600 1.00 0.74 N ATOM 1617 CA ALA B 8 -0.240 3.357 10.188 1.00 0.74 C ATOM 1618 C ALA B 8 -0.509 4.658 9.425 1.00 0.62 C ATOM 1619 O ALA B 8 0.052 5.694 9.777 1.00 0.61 O ATOM 1620 CB ALA B 8 0.607 2.393 9.363 1.00 0.86 C ATOM 0 H ALA B 8 -1.644 1.817 10.107 1.00 0.74 H new ATOM 0 HA ALA B 8 0.311 3.641 11.085 1.00 0.74 H new ATOM 0 HB1 ALA B 8 1.527 2.890 9.054 1.00 0.86 H new ATOM 0 HB2 ALA B 8 0.852 1.518 9.964 1.00 0.86 H new ATOM 0 HB3 ALA B 8 0.048 2.082 8.480 1.00 0.86 H new ATOM 1626 N LEU B 9 -1.412 4.637 8.435 1.00 0.61 N ATOM 1627 CA LEU B 9 -1.809 5.834 7.688 1.00 0.63 C ATOM 1628 C LEU B 9 -2.518 6.844 8.601 1.00 0.65 C ATOM 1629 O LEU B 9 -2.163 8.026 8.558 1.00 0.72 O ATOM 1630 CB LEU B 9 -2.687 5.459 6.473 1.00 0.64 C ATOM 1631 CG LEU B 9 -2.001 4.766 5.272 1.00 0.65 C ATOM 1632 CD1 LEU B 9 -0.747 5.514 4.798 1.00 0.79 C ATOM 1633 CD2 LEU B 9 -1.667 3.287 5.529 1.00 0.88 C ATOM 0 H LEU B 9 -1.887 3.787 8.131 1.00 0.61 H new ATOM 0 HA LEU B 9 -0.905 6.312 7.309 1.00 0.63 H new ATOM 0 HB2 LEU B 9 -3.485 4.805 6.826 1.00 0.64 H new ATOM 0 HB3 LEU B 9 -3.160 6.371 6.108 1.00 0.64 H new ATOM 0 HG LEU B 9 -2.743 4.799 4.474 1.00 0.65 H new ATOM 0 HD11 LEU B 9 -0.305 4.985 3.954 1.00 0.79 H new ATOM 0 HD12 LEU B 9 -1.020 6.524 4.491 1.00 0.79 H new ATOM 0 HD13 LEU B 9 -0.024 5.565 5.612 1.00 0.79 H new ATOM 0 HD21 LEU B 9 -1.188 2.863 4.646 1.00 0.88 H new ATOM 0 HD22 LEU B 9 -0.991 3.209 6.381 1.00 0.88 H new ATOM 0 HD23 LEU B 9 -2.584 2.739 5.742 1.00 0.88 H new ATOM 1645 N THR B 10 -3.438 6.388 9.471 1.00 0.67 N ATOM 1646 CA THR B 10 -4.111 7.202 10.495 1.00 0.75 C ATOM 1647 C THR B 10 -3.098 7.889 11.413 1.00 0.74 C ATOM 1648 O THR B 10 -3.234 9.090 11.638 1.00 0.86 O ATOM 1649 CB THR B 10 -5.144 6.345 11.253 1.00 0.87 C ATOM 1650 OG1 THR B 10 -6.339 6.338 10.506 1.00 1.14 O ATOM 1651 CG2 THR B 10 -5.536 6.902 12.624 1.00 1.48 C ATOM 0 H THR B 10 -3.741 5.414 9.479 1.00 0.67 H new ATOM 0 HA THR B 10 -4.661 8.009 10.011 1.00 0.75 H new ATOM 0 HB THR B 10 -4.681 5.368 11.388 1.00 0.87 H new ATOM 0 HG1 THR B 10 -6.298 5.630 9.829 1.00 1.14 H new ATOM 0 HG21 THR B 10 -6.266 6.240 13.090 1.00 1.48 H new ATOM 0 HG22 THR B 10 -4.651 6.969 13.256 1.00 1.48 H new ATOM 0 HG23 THR B 10 -5.971 7.894 12.503 1.00 1.48 H new ATOM 1659 N THR B 11 -2.049 7.198 11.890 1.00 0.65 N ATOM 1660 CA THR B 11 -0.993 7.802 12.738 1.00 0.67 C ATOM 1661 C THR B 11 -0.154 8.816 11.960 1.00 0.67 C ATOM 1662 O THR B 11 0.086 9.911 12.477 1.00 0.72 O ATOM 1663 CB THR B 11 -0.086 6.733 13.350 1.00 0.71 C ATOM 1664 OG1 THR B 11 -0.861 5.756 14.005 1.00 0.77 O ATOM 1665 CG2 THR B 11 0.875 7.275 14.416 1.00 0.88 C ATOM 0 H THR B 11 -1.904 6.206 11.702 1.00 0.65 H new ATOM 0 HA THR B 11 -1.503 8.327 13.546 1.00 0.67 H new ATOM 0 HB THR B 11 0.485 6.337 12.510 1.00 0.71 H new ATOM 0 HG1 THR B 11 -1.213 5.122 13.346 1.00 0.77 H new ATOM 0 HG21 THR B 11 1.485 6.460 14.804 1.00 0.88 H new ATOM 0 HG22 THR B 11 1.521 8.032 13.972 1.00 0.88 H new ATOM 0 HG23 THR B 11 0.302 7.719 15.230 1.00 0.88 H new ATOM 1673 N MET B 12 0.240 8.500 10.714 1.00 0.66 N ATOM 1674 CA MET B 12 0.922 9.458 9.831 1.00 0.74 C ATOM 1675 C MET B 12 0.084 10.729 9.668 1.00 0.91 C ATOM 1676 O MET B 12 0.555 11.814 10.004 1.00 1.16 O ATOM 1677 CB MET B 12 1.216 8.862 8.437 1.00 0.81 C ATOM 1678 CG MET B 12 2.283 7.767 8.429 1.00 0.82 C ATOM 1679 SD MET B 12 2.460 6.952 6.818 1.00 1.09 S ATOM 1680 CE MET B 12 4.231 6.580 6.861 1.00 0.78 C ATOM 0 H MET B 12 0.096 7.581 10.295 1.00 0.66 H new ATOM 0 HA MET B 12 1.874 9.698 10.305 1.00 0.74 H new ATOM 0 HB2 MET B 12 0.292 8.454 8.028 1.00 0.81 H new ATOM 0 HB3 MET B 12 1.532 9.665 7.772 1.00 0.81 H new ATOM 0 HG2 MET B 12 3.241 8.200 8.717 1.00 0.82 H new ATOM 0 HG3 MET B 12 2.032 7.019 9.181 1.00 0.82 H new ATOM 0 HE1 MET B 12 4.519 6.073 5.940 1.00 0.78 H new ATOM 0 HE2 MET B 12 4.795 7.508 6.956 1.00 0.78 H new ATOM 0 HE3 MET B 12 4.447 5.935 7.713 1.00 0.78 H new ATOM 1690 N VAL B 13 -1.168 10.611 9.204 1.00 0.84 N ATOM 1691 CA VAL B 13 -2.007 11.792 8.883 1.00 0.93 C ATOM 1692 C VAL B 13 -2.368 12.613 10.129 1.00 1.03 C ATOM 1693 O VAL B 13 -2.356 13.845 10.074 1.00 1.11 O ATOM 1694 CB VAL B 13 -3.285 11.480 8.068 1.00 0.94 C ATOM 1695 CG1 VAL B 13 -2.947 10.846 6.712 1.00 0.90 C ATOM 1696 CG2 VAL B 13 -4.311 10.624 8.825 1.00 0.92 C ATOM 0 H VAL B 13 -1.628 9.716 9.040 1.00 0.84 H new ATOM 0 HA VAL B 13 -1.366 12.390 8.235 1.00 0.93 H new ATOM 0 HB VAL B 13 -3.760 12.446 7.897 1.00 0.94 H new ATOM 0 HG11 VAL B 13 -3.868 10.640 6.167 1.00 0.90 H new ATOM 0 HG12 VAL B 13 -2.328 11.532 6.134 1.00 0.90 H new ATOM 0 HG13 VAL B 13 -2.404 9.914 6.871 1.00 0.90 H new ATOM 0 HG21 VAL B 13 -5.178 10.448 8.189 1.00 0.92 H new ATOM 0 HG22 VAL B 13 -3.860 9.669 9.095 1.00 0.92 H new ATOM 0 HG23 VAL B 13 -4.624 11.146 9.729 1.00 0.92 H new ATOM 1706 N THR B 14 -2.601 11.944 11.270 1.00 1.04 N ATOM 1707 CA THR B 14 -2.812 12.567 12.591 1.00 1.12 C ATOM 1708 C THR B 14 -1.646 13.466 12.998 1.00 1.18 C ATOM 1709 O THR B 14 -1.862 14.430 13.737 1.00 1.48 O ATOM 1710 CB THR B 14 -3.035 11.470 13.645 1.00 0.99 C ATOM 1711 OG1 THR B 14 -4.261 10.859 13.362 1.00 1.29 O ATOM 1712 CG2 THR B 14 -3.133 11.974 15.084 1.00 1.15 C ATOM 0 H THR B 14 -2.650 10.926 11.302 1.00 1.04 H new ATOM 0 HA THR B 14 -3.695 13.202 12.525 1.00 1.12 H new ATOM 0 HB THR B 14 -2.169 10.810 13.586 1.00 0.99 H new ATOM 0 HG1 THR B 14 -4.133 10.170 12.677 1.00 1.29 H new ATOM 0 HG21 THR B 14 -3.290 11.130 15.755 1.00 1.15 H new ATOM 0 HG22 THR B 14 -2.209 12.485 15.354 1.00 1.15 H new ATOM 0 HG23 THR B 14 -3.970 12.667 15.171 1.00 1.15 H new ATOM 1720 N THR B 15 -0.423 13.124 12.572 1.00 1.07 N ATOM 1721 CA THR B 15 0.825 13.762 13.001 1.00 1.15 C ATOM 1722 C THR B 15 1.273 14.833 12.018 1.00 1.13 C ATOM 1723 O THR B 15 1.428 15.969 12.447 1.00 1.37 O ATOM 1724 CB THR B 15 1.901 12.700 13.254 1.00 1.19 C ATOM 1725 OG1 THR B 15 1.346 11.711 14.093 1.00 2.35 O ATOM 1726 CG2 THR B 15 3.107 13.289 13.984 1.00 1.53 C ATOM 0 H THR B 15 -0.272 12.373 11.899 1.00 1.07 H new ATOM 0 HA THR B 15 0.648 14.279 13.944 1.00 1.15 H new ATOM 0 HB THR B 15 2.225 12.300 12.293 1.00 1.19 H new ATOM 0 HG1 THR B 15 0.775 11.116 13.564 1.00 2.35 H new ATOM 0 HG21 THR B 15 3.850 12.509 14.147 1.00 1.53 H new ATOM 0 HG22 THR B 15 3.543 14.086 13.382 1.00 1.53 H new ATOM 0 HG23 THR B 15 2.789 13.693 14.945 1.00 1.53 H new ATOM 1734 N PHE B 16 1.389 14.529 10.718 1.00 0.89 N ATOM 1735 CA PHE B 16 1.712 15.484 9.636 1.00 0.85 C ATOM 1736 C PHE B 16 0.779 16.708 9.668 1.00 0.90 C ATOM 1737 O PHE B 16 1.231 17.850 9.598 1.00 1.00 O ATOM 1738 CB PHE B 16 1.635 14.707 8.300 1.00 0.76 C ATOM 1739 CG PHE B 16 1.962 15.426 6.986 1.00 0.75 C ATOM 1740 CD1 PHE B 16 0.999 16.210 6.321 1.00 1.93 C ATOM 1741 CD2 PHE B 16 3.187 15.176 6.337 1.00 1.46 C ATOM 1742 CE1 PHE B 16 1.248 16.704 5.021 1.00 1.94 C ATOM 1743 CE2 PHE B 16 3.429 15.653 5.035 1.00 1.54 C ATOM 1744 CZ PHE B 16 2.455 16.416 4.360 1.00 0.92 C ATOM 0 H PHE B 16 1.257 13.578 10.373 1.00 0.89 H new ATOM 0 HA PHE B 16 2.716 15.889 9.763 1.00 0.85 H new ATOM 0 HB2 PHE B 16 2.307 13.853 8.380 1.00 0.76 H new ATOM 0 HB3 PHE B 16 0.624 14.310 8.212 1.00 0.76 H new ATOM 0 HD1 PHE B 16 0.062 16.435 6.809 1.00 1.93 H new ATOM 0 HD2 PHE B 16 3.952 14.609 6.846 1.00 1.46 H new ATOM 0 HE1 PHE B 16 0.502 17.310 4.529 1.00 1.94 H new ATOM 0 HE2 PHE B 16 4.368 15.433 4.550 1.00 1.54 H new ATOM 0 HZ PHE B 16 2.632 16.772 3.356 1.00 0.92 H new ATOM 1754 N HIS B 17 -0.518 16.493 9.904 1.00 0.89 N ATOM 1755 CA HIS B 17 -1.516 17.562 10.058 1.00 0.98 C ATOM 1756 C HIS B 17 -1.234 18.528 11.237 1.00 1.09 C ATOM 1757 O HIS B 17 -1.659 19.675 11.193 1.00 1.32 O ATOM 1758 CB HIS B 17 -2.902 16.908 10.179 1.00 0.99 C ATOM 1759 CG HIS B 17 -4.044 17.891 10.268 1.00 1.36 C ATOM 1760 ND1 HIS B 17 -4.804 18.162 11.385 1.00 2.30 N ATOM 1761 CD2 HIS B 17 -4.540 18.665 9.254 1.00 1.41 C ATOM 1762 CE1 HIS B 17 -5.728 19.077 11.053 1.00 2.64 C ATOM 1763 NE2 HIS B 17 -5.604 19.414 9.765 1.00 2.06 N ATOM 0 H HIS B 17 -0.913 15.557 9.995 1.00 0.89 H new ATOM 0 HA HIS B 17 -1.467 18.198 9.174 1.00 0.98 H new ATOM 0 HB2 HIS B 17 -3.062 16.259 9.318 1.00 0.99 H new ATOM 0 HB3 HIS B 17 -2.915 16.272 11.064 1.00 0.99 H new ATOM 0 HD1 HIS B 17 -4.685 17.740 12.306 1.00 2.30 H new ATOM 0 HD2 HIS B 17 -4.174 18.692 8.238 1.00 1.41 H new ATOM 0 HE1 HIS B 17 -6.466 19.483 11.729 1.00 2.64 H new ATOM 1772 N LYS B 18 -0.471 18.146 12.268 1.00 1.03 N ATOM 1773 CA LYS B 18 -0.066 19.082 13.334 1.00 1.19 C ATOM 1774 C LYS B 18 0.925 20.152 12.831 1.00 1.23 C ATOM 1775 O LYS B 18 1.062 21.211 13.444 1.00 1.45 O ATOM 1776 CB LYS B 18 0.546 18.320 14.525 1.00 1.27 C ATOM 1777 CG LYS B 18 -0.316 17.154 15.028 1.00 2.33 C ATOM 1778 CD LYS B 18 0.274 16.522 16.300 1.00 3.03 C ATOM 1779 CE LYS B 18 -0.317 15.143 16.642 1.00 4.71 C ATOM 1780 NZ LYS B 18 -1.786 15.072 16.457 1.00 6.39 N ATOM 0 H LYS B 18 -0.120 17.196 12.390 1.00 1.03 H new ATOM 0 HA LYS B 18 -0.970 19.597 13.660 1.00 1.19 H new ATOM 0 HB2 LYS B 18 1.524 17.937 14.234 1.00 1.27 H new ATOM 0 HB3 LYS B 18 0.709 19.019 15.346 1.00 1.27 H new ATOM 0 HG2 LYS B 18 -1.326 17.509 15.232 1.00 2.33 H new ATOM 0 HG3 LYS B 18 -0.396 16.397 14.248 1.00 2.33 H new ATOM 0 HD2 LYS B 18 1.353 16.424 16.179 1.00 3.03 H new ATOM 0 HD3 LYS B 18 0.107 17.196 17.140 1.00 3.03 H new ATOM 0 HE2 LYS B 18 0.158 14.387 16.017 1.00 4.71 H new ATOM 0 HE3 LYS B 18 -0.076 14.899 17.677 1.00 4.71 H new ATOM 0 HZ1 LYS B 18 -2.169 14.284 17.017 1.00 6.39 H new ATOM 0 HZ2 LYS B 18 -2.219 15.963 16.772 1.00 6.39 H new ATOM 0 HZ3 LYS B 18 -2.002 14.919 15.451 1.00 6.39 H new ATOM 1794 N TYR B 19 1.622 19.871 11.726 1.00 1.11 N ATOM 1795 CA TYR B 19 2.692 20.690 11.163 1.00 1.10 C ATOM 1796 C TYR B 19 2.278 21.379 9.855 1.00 1.15 C ATOM 1797 O TYR B 19 2.525 22.571 9.690 1.00 1.67 O ATOM 1798 CB TYR B 19 3.902 19.780 10.950 1.00 1.14 C ATOM 1799 CG TYR B 19 4.439 19.175 12.234 1.00 1.15 C ATOM 1800 CD1 TYR B 19 5.361 19.884 13.018 1.00 1.78 C ATOM 1801 CD2 TYR B 19 4.019 17.899 12.646 1.00 2.32 C ATOM 1802 CE1 TYR B 19 5.890 19.309 14.186 1.00 1.83 C ATOM 1803 CE2 TYR B 19 4.512 17.324 13.830 1.00 2.33 C ATOM 1804 CZ TYR B 19 5.452 18.030 14.603 1.00 1.23 C ATOM 1805 OH TYR B 19 5.927 17.454 15.738 1.00 1.31 O ATOM 0 H TYR B 19 1.446 19.029 11.178 1.00 1.11 H new ATOM 0 HA TYR B 19 2.933 21.497 11.855 1.00 1.10 H new ATOM 0 HB2 TYR B 19 3.626 18.977 10.267 1.00 1.14 H new ATOM 0 HB3 TYR B 19 4.695 20.351 10.467 1.00 1.14 H new ATOM 0 HD1 TYR B 19 5.666 20.877 12.722 1.00 1.78 H new ATOM 0 HD2 TYR B 19 3.308 17.353 12.045 1.00 2.32 H new ATOM 0 HE1 TYR B 19 6.630 19.843 14.764 1.00 1.83 H new ATOM 0 HE2 TYR B 19 4.172 16.348 14.144 1.00 2.33 H new ATOM 0 HH TYR B 19 5.508 16.576 15.859 1.00 1.31 H new ATOM 1815 N SER B 20 1.573 20.695 8.956 1.00 1.00 N ATOM 1816 CA SER B 20 0.926 21.321 7.795 1.00 1.00 C ATOM 1817 C SER B 20 -0.301 22.151 8.198 1.00 1.18 C ATOM 1818 O SER B 20 -0.581 23.200 7.624 1.00 1.66 O ATOM 1819 CB SER B 20 0.441 20.239 6.830 1.00 1.06 C ATOM 1820 OG SER B 20 1.492 19.369 6.486 1.00 1.64 O ATOM 0 H SER B 20 1.431 19.686 9.009 1.00 1.00 H new ATOM 0 HA SER B 20 1.668 21.972 7.332 1.00 1.00 H new ATOM 0 HB2 SER B 20 -0.370 19.673 7.289 1.00 1.06 H new ATOM 0 HB3 SER B 20 0.037 20.703 5.930 1.00 1.06 H new ATOM 0 HG SER B 20 1.122 18.525 6.154 1.00 1.64 H new ATOM 1826 N GLY B 21 -1.048 21.708 9.217 1.00 1.20 N ATOM 1827 CA GLY B 21 -2.367 22.253 9.555 1.00 1.57 C ATOM 1828 C GLY B 21 -2.368 23.615 10.235 1.00 1.91 C ATOM 1829 O GLY B 21 -3.428 24.068 10.658 1.00 2.44 O ATOM 0 H GLY B 21 -0.750 20.954 9.836 1.00 1.20 H new ATOM 0 HA2 GLY B 21 -2.955 22.325 8.640 1.00 1.57 H new ATOM 0 HA3 GLY B 21 -2.876 21.543 10.206 1.00 1.57 H new ATOM 1832 N ARG B 22 -1.209 24.287 10.278 1.00 1.88 N ATOM 1833 CA ARG B 22 -1.057 25.691 10.679 1.00 2.33 C ATOM 1834 C ARG B 22 -1.778 26.661 9.727 1.00 2.98 C ATOM 1835 O ARG B 22 -2.015 27.790 10.131 1.00 3.33 O ATOM 1836 CB ARG B 22 0.438 26.078 10.688 1.00 2.52 C ATOM 1837 CG ARG B 22 1.196 25.798 11.991 1.00 2.47 C ATOM 1838 CD ARG B 22 1.365 24.310 12.329 1.00 2.92 C ATOM 1839 NE ARG B 22 2.560 24.099 13.158 1.00 2.89 N ATOM 1840 CZ ARG B 22 3.810 24.007 12.709 1.00 3.22 C ATOM 1841 NH1 ARG B 22 4.128 24.033 11.436 1.00 3.93 N ATOM 1842 NH2 ARG B 22 4.818 23.869 13.537 1.00 4.07 N ATOM 0 H ARG B 22 -0.322 23.852 10.026 1.00 1.88 H new ATOM 0 HA ARG B 22 -1.500 25.775 11.671 1.00 2.33 H new ATOM 0 HB2 ARG B 22 0.936 25.544 9.879 1.00 2.52 H new ATOM 0 HB3 ARG B 22 0.519 27.142 10.465 1.00 2.52 H new ATOM 0 HG2 ARG B 22 2.183 26.256 11.927 1.00 2.47 H new ATOM 0 HG3 ARG B 22 0.671 26.286 12.812 1.00 2.47 H new ATOM 0 HD2 ARG B 22 0.482 23.949 12.856 1.00 2.92 H new ATOM 0 HD3 ARG B 22 1.447 23.730 11.410 1.00 2.92 H new ATOM 0 HE ARG B 22 2.420 24.016 14.165 1.00 2.89 H new ATOM 0 HH11 ARG B 22 3.398 24.128 10.730 1.00 3.93 H new ATOM 0 HH12 ARG B 22 5.105 23.958 11.153 1.00 3.93 H new ATOM 0 HH21 ARG B 22 4.651 23.831 14.542 1.00 4.07 H new ATOM 0 HH22 ARG B 22 5.769 23.800 13.175 1.00 4.07 H new ATOM 1856 N GLU B 23 -2.058 26.244 8.492 1.00 3.29 N ATOM 1857 CA GLU B 23 -2.429 27.108 7.372 1.00 3.84 C ATOM 1858 C GLU B 23 -3.445 26.411 6.443 1.00 4.19 C ATOM 1859 O GLU B 23 -4.007 25.368 6.804 1.00 4.84 O ATOM 1860 CB GLU B 23 -1.118 27.484 6.630 1.00 4.00 C ATOM 1861 CG GLU B 23 -0.571 28.854 7.052 1.00 4.67 C ATOM 1862 CD GLU B 23 -1.418 30.014 6.523 1.00 6.57 C ATOM 1863 OE1 GLU B 23 -2.531 29.753 6.010 1.00 8.00 O ATOM 1864 OE2 GLU B 23 -0.931 31.159 6.632 1.00 7.07 O ATOM 0 H GLU B 23 -2.031 25.257 8.235 1.00 3.29 H new ATOM 0 HA GLU B 23 -2.925 28.011 7.727 1.00 3.84 H new ATOM 0 HB2 GLU B 23 -0.364 26.721 6.824 1.00 4.00 H new ATOM 0 HB3 GLU B 23 -1.301 27.486 5.555 1.00 4.00 H new ATOM 0 HG2 GLU B 23 -0.530 28.905 8.140 1.00 4.67 H new ATOM 0 HG3 GLU B 23 0.451 28.960 6.689 1.00 4.67 H new ATOM 1871 N GLY B 24 -3.661 26.973 5.246 1.00 4.24 N ATOM 1872 CA GLY B 24 -4.264 26.284 4.095 1.00 4.37 C ATOM 1873 C GLY B 24 -3.346 25.219 3.475 1.00 3.01 C ATOM 1874 O GLY B 24 -2.294 24.895 4.018 1.00 2.53 O ATOM 0 H GLY B 24 -3.416 27.943 5.046 1.00 4.24 H new ATOM 0 HA2 GLY B 24 -5.195 25.813 4.410 1.00 4.37 H new ATOM 0 HA3 GLY B 24 -4.521 27.020 3.333 1.00 4.37 H new ATOM 1877 N SER B 25 -3.789 24.625 2.362 1.00 3.64 N ATOM 1878 CA SER B 25 -3.113 23.519 1.651 1.00 2.85 C ATOM 1879 C SER B 25 -2.569 22.418 2.580 1.00 2.42 C ATOM 1880 O SER B 25 -1.461 21.931 2.377 1.00 2.98 O ATOM 1881 CB SER B 25 -2.035 23.993 0.644 1.00 2.78 C ATOM 1882 OG SER B 25 -1.170 25.014 1.110 1.00 2.95 O ATOM 0 H SER B 25 -4.659 24.907 1.910 1.00 3.64 H new ATOM 0 HA SER B 25 -3.911 23.062 1.066 1.00 2.85 H new ATOM 0 HB2 SER B 25 -1.431 23.133 0.354 1.00 2.78 H new ATOM 0 HB3 SER B 25 -2.536 24.348 -0.257 1.00 2.78 H new ATOM 0 HG SER B 25 -0.527 25.244 0.407 1.00 2.95 H new ATOM 1888 N LYS B 26 -3.328 21.983 3.600 1.00 1.70 N ATOM 1889 CA LYS B 26 -2.750 21.216 4.726 1.00 1.27 C ATOM 1890 C LYS B 26 -2.176 19.825 4.365 1.00 1.11 C ATOM 1891 O LYS B 26 -1.844 19.046 5.259 1.00 1.19 O ATOM 1892 CB LYS B 26 -3.793 20.988 5.822 1.00 1.12 C ATOM 1893 CG LYS B 26 -4.551 22.198 6.361 1.00 1.40 C ATOM 1894 CD LYS B 26 -5.353 21.693 7.570 1.00 1.95 C ATOM 1895 CE LYS B 26 -6.326 22.674 8.195 1.00 2.68 C ATOM 1896 NZ LYS B 26 -5.717 23.974 8.587 1.00 3.87 N ATOM 0 H LYS B 26 -4.332 22.145 3.672 1.00 1.70 H new ATOM 0 HA LYS B 26 -1.921 21.842 5.055 1.00 1.27 H new ATOM 0 HB2 LYS B 26 -4.527 20.279 5.440 1.00 1.12 H new ATOM 0 HB3 LYS B 26 -3.293 20.507 6.663 1.00 1.12 H new ATOM 0 HG2 LYS B 26 -3.863 22.991 6.653 1.00 1.40 H new ATOM 0 HG3 LYS B 26 -5.212 22.614 5.601 1.00 1.40 H new ATOM 0 HD2 LYS B 26 -5.911 20.808 7.264 1.00 1.95 H new ATOM 0 HD3 LYS B 26 -4.648 21.376 8.338 1.00 1.95 H new ATOM 0 HE2 LYS B 26 -7.136 22.863 7.491 1.00 2.68 H new ATOM 0 HE3 LYS B 26 -6.772 22.214 9.077 1.00 2.68 H new ATOM 0 HZ1 LYS B 26 -6.464 24.629 8.895 1.00 3.87 H new ATOM 0 HZ2 LYS B 26 -5.047 23.822 9.368 1.00 3.87 H new ATOM 0 HZ3 LYS B 26 -5.214 24.381 7.773 1.00 3.87 H new ATOM 1910 N LEU B 27 -2.151 19.454 3.089 1.00 1.26 N ATOM 1911 CA LEU B 27 -1.733 18.158 2.577 1.00 1.34 C ATOM 1912 C LEU B 27 -0.306 18.205 1.987 1.00 1.37 C ATOM 1913 O LEU B 27 0.244 17.138 1.712 1.00 1.38 O ATOM 1914 CB LEU B 27 -2.810 17.650 1.594 1.00 1.75 C ATOM 1915 CG LEU B 27 -4.278 17.804 2.079 1.00 2.19 C ATOM 1916 CD1 LEU B 27 -5.214 17.150 1.059 1.00 2.72 C ATOM 1917 CD2 LEU B 27 -4.558 17.225 3.479 1.00 2.93 C ATOM 0 H LEU B 27 -2.439 20.088 2.344 1.00 1.26 H new ATOM 0 HA LEU B 27 -1.658 17.436 3.390 1.00 1.34 H new ATOM 0 HB2 LEU B 27 -2.698 18.185 0.651 1.00 1.75 H new ATOM 0 HB3 LEU B 27 -2.622 16.596 1.387 1.00 1.75 H new ATOM 0 HG LEU B 27 -4.458 18.876 2.162 1.00 2.19 H new ATOM 0 HD11 LEU B 27 -6.246 17.254 1.393 1.00 2.72 H new ATOM 0 HD12 LEU B 27 -5.095 17.637 0.091 1.00 2.72 H new ATOM 0 HD13 LEU B 27 -4.968 16.092 0.965 1.00 2.72 H new ATOM 0 HD21 LEU B 27 -5.607 17.378 3.733 1.00 2.93 H new ATOM 0 HD22 LEU B 27 -4.336 16.158 3.483 1.00 2.93 H new ATOM 0 HD23 LEU B 27 -3.930 17.729 4.213 1.00 2.93 H new ATOM 1929 N THR B 28 0.318 19.393 1.849 1.00 1.48 N ATOM 1930 CA THR B 28 1.779 19.555 1.676 1.00 1.42 C ATOM 1931 C THR B 28 2.452 20.052 2.967 1.00 1.46 C ATOM 1932 O THR B 28 1.760 20.268 3.968 1.00 1.64 O ATOM 1933 CB THR B 28 2.064 20.526 0.521 1.00 1.26 C ATOM 1934 OG1 THR B 28 1.411 21.755 0.735 1.00 1.20 O ATOM 1935 CG2 THR B 28 1.575 19.985 -0.825 1.00 1.31 C ATOM 0 H THR B 28 -0.185 20.280 1.855 1.00 1.48 H new ATOM 0 HA THR B 28 2.200 18.577 1.440 1.00 1.42 H new ATOM 0 HB THR B 28 3.146 20.652 0.493 1.00 1.26 H new ATOM 0 HG1 THR B 28 2.019 22.374 1.191 1.00 1.20 H new ATOM 0 HG21 THR B 28 1.799 20.707 -1.610 1.00 1.31 H new ATOM 0 HG22 THR B 28 2.079 19.043 -1.043 1.00 1.31 H new ATOM 0 HG23 THR B 28 0.499 19.819 -0.781 1.00 1.31 H new ATOM 1943 N LEU B 29 3.786 20.231 2.960 1.00 1.37 N ATOM 1944 CA LEU B 29 4.535 21.139 3.861 1.00 1.36 C ATOM 1945 C LEU B 29 5.970 21.436 3.396 1.00 1.32 C ATOM 1946 O LEU B 29 6.484 20.820 2.467 1.00 1.28 O ATOM 1947 CB LEU B 29 4.515 20.710 5.350 1.00 1.20 C ATOM 1948 CG LEU B 29 5.595 19.714 5.831 1.00 0.94 C ATOM 1949 CD1 LEU B 29 5.377 19.438 7.324 1.00 1.07 C ATOM 1950 CD2 LEU B 29 5.571 18.393 5.060 1.00 0.84 C ATOM 0 H LEU B 29 4.395 19.735 2.309 1.00 1.37 H new ATOM 0 HA LEU B 29 3.978 22.073 3.793 1.00 1.36 H new ATOM 0 HB2 LEU B 29 4.596 21.611 5.958 1.00 1.20 H new ATOM 0 HB3 LEU B 29 3.539 20.271 5.558 1.00 1.20 H new ATOM 0 HG LEU B 29 6.569 20.168 5.651 1.00 0.94 H new ATOM 0 HD11 LEU B 29 6.132 18.736 7.678 1.00 1.07 H new ATOM 0 HD12 LEU B 29 5.458 20.371 7.882 1.00 1.07 H new ATOM 0 HD13 LEU B 29 4.386 19.011 7.474 1.00 1.07 H new ATOM 0 HD21 LEU B 29 6.351 17.735 5.442 1.00 0.84 H new ATOM 0 HD22 LEU B 29 4.599 17.916 5.186 1.00 0.84 H new ATOM 0 HD23 LEU B 29 5.745 18.586 4.002 1.00 0.84 H new ATOM 1962 N SER B 30 6.652 22.346 4.092 1.00 1.31 N ATOM 1963 CA SER B 30 8.035 22.751 3.798 1.00 1.21 C ATOM 1964 C SER B 30 9.112 21.715 4.182 1.00 1.08 C ATOM 1965 O SER B 30 9.080 21.059 5.234 1.00 0.97 O ATOM 1966 CB SER B 30 8.327 24.102 4.463 1.00 1.33 C ATOM 1967 OG SER B 30 8.070 24.075 5.858 1.00 1.99 O ATOM 0 H SER B 30 6.254 22.835 4.894 1.00 1.31 H new ATOM 0 HA SER B 30 8.099 22.832 2.713 1.00 1.21 H new ATOM 0 HB2 SER B 30 9.369 24.373 4.292 1.00 1.33 H new ATOM 0 HB3 SER B 30 7.716 24.875 3.997 1.00 1.33 H new ATOM 0 HG SER B 30 8.270 24.953 6.244 1.00 1.99 H new ATOM 1973 N ARG B 31 10.149 21.635 3.341 1.00 1.14 N ATOM 1974 CA ARG B 31 11.273 20.693 3.415 1.00 1.17 C ATOM 1975 C ARG B 31 12.092 20.830 4.713 1.00 1.11 C ATOM 1976 O ARG B 31 12.768 19.882 5.117 1.00 1.14 O ATOM 1977 CB ARG B 31 12.091 20.896 2.122 1.00 1.42 C ATOM 1978 CG ARG B 31 13.123 19.812 1.791 1.00 1.82 C ATOM 1979 CD ARG B 31 13.756 20.100 0.413 1.00 1.37 C ATOM 1980 NE ARG B 31 14.369 18.908 -0.216 1.00 2.03 N ATOM 1981 CZ ARG B 31 13.723 18.009 -0.954 1.00 2.22 C ATOM 1982 NH1 ARG B 31 12.428 18.077 -1.135 1.00 2.34 N ATOM 1983 NH2 ARG B 31 14.365 17.022 -1.531 1.00 3.03 N ATOM 0 H ARG B 31 10.232 22.264 2.542 1.00 1.14 H new ATOM 0 HA ARG B 31 10.919 19.663 3.470 1.00 1.17 H new ATOM 0 HB2 ARG B 31 11.396 20.972 1.286 1.00 1.42 H new ATOM 0 HB3 ARG B 31 12.610 21.852 2.193 1.00 1.42 H new ATOM 0 HG2 ARG B 31 13.896 19.786 2.559 1.00 1.82 H new ATOM 0 HG3 ARG B 31 12.646 18.832 1.785 1.00 1.82 H new ATOM 0 HD2 ARG B 31 12.991 20.500 -0.253 1.00 1.37 H new ATOM 0 HD3 ARG B 31 14.516 20.873 0.526 1.00 1.37 H new ATOM 0 HE ARG B 31 15.368 18.764 -0.072 1.00 2.03 H new ATOM 0 HH11 ARG B 31 11.892 18.831 -0.706 1.00 2.34 H new ATOM 0 HH12 ARG B 31 11.955 17.376 -1.705 1.00 2.34 H new ATOM 0 HH21 ARG B 31 15.375 16.935 -1.417 1.00 3.03 H new ATOM 0 HH22 ARG B 31 13.855 16.341 -2.093 1.00 3.03 H new ATOM 1997 N LYS B 32 12.011 21.969 5.415 1.00 1.12 N ATOM 1998 CA LYS B 32 12.565 22.156 6.761 1.00 1.12 C ATOM 1999 C LYS B 32 11.711 21.477 7.847 1.00 1.10 C ATOM 2000 O LYS B 32 12.284 20.851 8.733 1.00 1.14 O ATOM 2001 CB LYS B 32 12.739 23.661 7.069 1.00 1.20 C ATOM 2002 CG LYS B 32 14.122 24.022 7.644 1.00 1.42 C ATOM 2003 CD LYS B 32 14.493 23.428 9.016 1.00 2.88 C ATOM 2004 CE LYS B 32 13.570 23.899 10.153 1.00 4.33 C ATOM 2005 NZ LYS B 32 14.160 23.623 11.483 1.00 6.14 N ATOM 0 H LYS B 32 11.548 22.803 5.054 1.00 1.12 H new ATOM 0 HA LYS B 32 13.542 21.673 6.776 1.00 1.12 H new ATOM 0 HB2 LYS B 32 12.576 24.231 6.154 1.00 1.20 H new ATOM 0 HB3 LYS B 32 11.970 23.969 7.777 1.00 1.20 H new ATOM 0 HG2 LYS B 32 14.879 23.709 6.925 1.00 1.42 H new ATOM 0 HG3 LYS B 32 14.184 25.108 7.719 1.00 1.42 H new ATOM 0 HD2 LYS B 32 14.457 22.340 8.955 1.00 2.88 H new ATOM 0 HD3 LYS B 32 15.521 23.700 9.256 1.00 2.88 H new ATOM 0 HE2 LYS B 32 13.383 24.968 10.052 1.00 4.33 H new ATOM 0 HE3 LYS B 32 12.606 23.398 10.071 1.00 4.33 H new ATOM 0 HZ1 LYS B 32 13.464 23.843 12.224 1.00 6.14 H new ATOM 0 HZ2 LYS B 32 14.425 22.619 11.544 1.00 6.14 H new ATOM 0 HZ3 LYS B 32 15.006 24.213 11.617 1.00 6.14 H new ATOM 2019 N GLU B 33 10.382 21.582 7.785 1.00 1.05 N ATOM 2020 CA GLU B 33 9.486 20.998 8.788 1.00 0.99 C ATOM 2021 C GLU B 33 9.385 19.460 8.654 1.00 1.02 C ATOM 2022 O GLU B 33 9.126 18.818 9.661 1.00 1.15 O ATOM 2023 CB GLU B 33 8.130 21.729 8.789 1.00 0.93 C ATOM 2024 CG GLU B 33 7.173 21.425 9.963 1.00 1.56 C ATOM 2025 CD GLU B 33 7.424 22.142 11.310 1.00 2.04 C ATOM 2026 OE1 GLU B 33 8.145 21.611 12.188 1.00 2.99 O ATOM 2027 OE2 GLU B 33 6.753 23.177 11.558 1.00 2.65 O ATOM 0 H GLU B 33 9.895 22.075 7.037 1.00 1.05 H new ATOM 0 HA GLU B 33 9.916 21.154 9.778 1.00 0.99 H new ATOM 0 HB2 GLU B 33 8.323 22.802 8.778 1.00 0.93 H new ATOM 0 HB3 GLU B 33 7.614 21.488 7.860 1.00 0.93 H new ATOM 0 HG2 GLU B 33 6.161 21.667 9.640 1.00 1.56 H new ATOM 0 HG3 GLU B 33 7.201 20.351 10.146 1.00 1.56 H new ATOM 2034 N LEU B 34 9.705 18.830 7.508 1.00 0.94 N ATOM 2035 CA LEU B 34 9.978 17.371 7.429 1.00 0.87 C ATOM 2036 C LEU B 34 11.207 16.971 8.271 1.00 0.72 C ATOM 2037 O LEU B 34 11.118 16.097 9.130 1.00 0.60 O ATOM 2038 CB LEU B 34 10.117 16.934 5.949 1.00 0.95 C ATOM 2039 CG LEU B 34 10.897 15.614 5.689 1.00 1.03 C ATOM 2040 CD1 LEU B 34 10.355 14.357 6.383 1.00 1.73 C ATOM 2041 CD2 LEU B 34 10.980 15.335 4.182 1.00 1.22 C ATOM 0 H LEU B 34 9.783 19.310 6.611 1.00 0.94 H new ATOM 0 HA LEU B 34 9.129 16.839 7.859 1.00 0.87 H new ATOM 0 HB2 LEU B 34 9.117 16.829 5.528 1.00 0.95 H new ATOM 0 HB3 LEU B 34 10.611 17.736 5.401 1.00 0.95 H new ATOM 0 HG LEU B 34 11.875 15.800 6.132 1.00 1.03 H new ATOM 0 HD11 LEU B 34 10.980 13.502 6.127 1.00 1.73 H new ATOM 0 HD12 LEU B 34 10.366 14.504 7.463 1.00 1.73 H new ATOM 0 HD13 LEU B 34 9.333 14.171 6.053 1.00 1.73 H new ATOM 0 HD21 LEU B 34 11.528 14.408 4.013 1.00 1.22 H new ATOM 0 HD22 LEU B 34 9.974 15.241 3.773 1.00 1.22 H new ATOM 0 HD23 LEU B 34 11.497 16.158 3.688 1.00 1.22 H new ATOM 2053 N LYS B 35 12.354 17.632 8.064 1.00 0.81 N ATOM 2054 CA LYS B 35 13.567 17.415 8.870 1.00 0.73 C ATOM 2055 C LYS B 35 13.285 17.590 10.375 1.00 0.71 C ATOM 2056 O LYS B 35 13.856 16.890 11.208 1.00 0.70 O ATOM 2057 CB LYS B 35 14.662 18.386 8.368 1.00 0.81 C ATOM 2058 CG LYS B 35 15.859 18.491 9.326 1.00 1.10 C ATOM 2059 CD LYS B 35 16.983 19.391 8.805 1.00 1.36 C ATOM 2060 CE LYS B 35 17.684 18.773 7.588 1.00 2.61 C ATOM 2061 NZ LYS B 35 19.021 19.361 7.341 1.00 3.31 N ATOM 0 H LYS B 35 12.469 18.333 7.332 1.00 0.81 H new ATOM 0 HA LYS B 35 13.913 16.388 8.749 1.00 0.73 H new ATOM 0 HB2 LYS B 35 15.014 18.054 7.391 1.00 0.81 H new ATOM 0 HB3 LYS B 35 14.226 19.376 8.230 1.00 0.81 H new ATOM 0 HG2 LYS B 35 15.513 18.874 10.286 1.00 1.10 H new ATOM 0 HG3 LYS B 35 16.258 17.493 9.507 1.00 1.10 H new ATOM 0 HD2 LYS B 35 16.574 20.365 8.535 1.00 1.36 H new ATOM 0 HD3 LYS B 35 17.711 19.560 9.598 1.00 1.36 H new ATOM 0 HE2 LYS B 35 17.786 17.698 7.739 1.00 2.61 H new ATOM 0 HE3 LYS B 35 17.061 18.913 6.705 1.00 2.61 H new ATOM 0 HZ1 LYS B 35 19.552 18.753 6.685 1.00 3.31 H new ATOM 0 HZ2 LYS B 35 18.912 20.308 6.925 1.00 3.31 H new ATOM 0 HZ3 LYS B 35 19.539 19.436 8.240 1.00 3.31 H new ATOM 2075 N GLU B 36 12.413 18.538 10.686 1.00 0.80 N ATOM 2076 CA GLU B 36 11.959 18.850 12.027 1.00 0.85 C ATOM 2077 C GLU B 36 11.055 17.750 12.589 1.00 0.69 C ATOM 2078 O GLU B 36 11.259 17.311 13.718 1.00 0.76 O ATOM 2079 CB GLU B 36 11.196 20.177 11.955 1.00 1.21 C ATOM 2080 CG GLU B 36 11.362 20.974 13.231 1.00 1.52 C ATOM 2081 CD GLU B 36 12.671 21.755 13.233 1.00 2.53 C ATOM 2082 OE1 GLU B 36 13.709 21.256 12.743 1.00 3.65 O ATOM 2083 OE2 GLU B 36 12.612 22.956 13.569 1.00 3.46 O ATOM 0 H GLU B 36 11.986 19.135 9.977 1.00 0.80 H new ATOM 0 HA GLU B 36 12.816 18.925 12.696 1.00 0.85 H new ATOM 0 HB2 GLU B 36 11.557 20.761 11.109 1.00 1.21 H new ATOM 0 HB3 GLU B 36 10.138 19.982 11.780 1.00 1.21 H new ATOM 0 HG2 GLU B 36 10.525 21.663 13.343 1.00 1.52 H new ATOM 0 HG3 GLU B 36 11.337 20.301 14.088 1.00 1.52 H new ATOM 2090 N LEU B 37 10.085 17.292 11.790 1.00 0.65 N ATOM 2091 CA LEU B 37 9.178 16.203 12.120 1.00 0.60 C ATOM 2092 C LEU B 37 9.964 14.972 12.525 1.00 0.56 C ATOM 2093 O LEU B 37 9.801 14.523 13.650 1.00 0.62 O ATOM 2094 CB LEU B 37 8.220 15.910 10.941 1.00 0.73 C ATOM 2095 CG LEU B 37 6.772 16.330 11.255 1.00 1.45 C ATOM 2096 CD1 LEU B 37 5.965 16.659 9.991 1.00 2.59 C ATOM 2097 CD2 LEU B 37 6.061 15.223 12.044 1.00 2.63 C ATOM 0 H LEU B 37 9.909 17.687 10.866 1.00 0.65 H new ATOM 0 HA LEU B 37 8.563 16.501 12.969 1.00 0.60 H new ATOM 0 HB2 LEU B 37 8.566 16.439 10.053 1.00 0.73 H new ATOM 0 HB3 LEU B 37 8.246 14.845 10.709 1.00 0.73 H new ATOM 0 HG LEU B 37 6.829 17.240 11.853 1.00 1.45 H new ATOM 0 HD11 LEU B 37 4.952 16.949 10.271 1.00 2.59 H new ATOM 0 HD12 LEU B 37 6.443 17.481 9.458 1.00 2.59 H new ATOM 0 HD13 LEU B 37 5.926 15.781 9.346 1.00 2.59 H new ATOM 0 HD21 LEU B 37 5.038 15.530 12.261 1.00 2.63 H new ATOM 0 HD22 LEU B 37 6.047 14.307 11.454 1.00 2.63 H new ATOM 0 HD23 LEU B 37 6.592 15.044 12.979 1.00 2.63 H new ATOM 2109 N ILE B 38 10.873 14.478 11.682 1.00 0.57 N ATOM 2110 CA ILE B 38 11.653 13.267 11.989 1.00 0.67 C ATOM 2111 C ILE B 38 12.554 13.395 13.232 1.00 0.77 C ATOM 2112 O ILE B 38 13.078 12.387 13.696 1.00 1.16 O ATOM 2113 CB ILE B 38 12.443 12.771 10.756 1.00 0.76 C ATOM 2114 CG1 ILE B 38 13.507 13.800 10.327 1.00 2.53 C ATOM 2115 CG2 ILE B 38 11.472 12.411 9.615 1.00 2.17 C ATOM 2116 CD1 ILE B 38 14.356 13.367 9.134 1.00 2.67 C ATOM 0 H ILE B 38 11.091 14.896 10.778 1.00 0.57 H new ATOM 0 HA ILE B 38 10.916 12.507 12.248 1.00 0.67 H new ATOM 0 HB ILE B 38 12.985 11.863 11.022 1.00 0.76 H new ATOM 0 HG12 ILE B 38 13.010 14.739 10.082 1.00 2.53 H new ATOM 0 HG13 ILE B 38 14.165 13.999 11.173 1.00 2.53 H new ATOM 0 HG21 ILE B 38 12.039 12.063 8.751 1.00 2.17 H new ATOM 0 HG22 ILE B 38 10.796 11.623 9.947 1.00 2.17 H new ATOM 0 HG23 ILE B 38 10.893 13.292 9.338 1.00 2.17 H new ATOM 0 HD11 ILE B 38 15.078 14.149 8.899 1.00 2.67 H new ATOM 0 HD12 ILE B 38 14.885 12.446 9.379 1.00 2.67 H new ATOM 0 HD13 ILE B 38 13.712 13.197 8.271 1.00 2.67 H new ATOM 2128 N LYS B 39 12.787 14.595 13.788 1.00 0.76 N ATOM 2129 CA LYS B 39 13.319 14.791 15.145 1.00 1.01 C ATOM 2130 C LYS B 39 12.231 14.866 16.237 1.00 1.05 C ATOM 2131 O LYS B 39 12.461 14.399 17.351 1.00 1.28 O ATOM 2132 CB LYS B 39 14.139 16.091 15.125 1.00 1.41 C ATOM 2133 CG LYS B 39 15.641 15.946 14.861 1.00 1.75 C ATOM 2134 CD LYS B 39 16.093 15.222 13.579 1.00 2.28 C ATOM 2135 CE LYS B 39 16.008 13.685 13.612 1.00 2.61 C ATOM 2136 NZ LYS B 39 16.722 13.082 14.761 1.00 2.76 N ATOM 0 H LYS B 39 12.607 15.471 13.298 1.00 0.76 H new ATOM 0 HA LYS B 39 13.926 13.924 15.405 1.00 1.01 H new ATOM 0 HB2 LYS B 39 13.720 16.747 14.362 1.00 1.41 H new ATOM 0 HB3 LYS B 39 14.008 16.592 16.084 1.00 1.41 H new ATOM 0 HG2 LYS B 39 16.074 16.946 14.847 1.00 1.75 H new ATOM 0 HG3 LYS B 39 16.078 15.421 15.710 1.00 1.75 H new ATOM 0 HD2 LYS B 39 15.487 15.583 12.748 1.00 2.28 H new ATOM 0 HD3 LYS B 39 17.124 15.506 13.369 1.00 2.28 H new ATOM 0 HE2 LYS B 39 14.960 13.387 13.648 1.00 2.61 H new ATOM 0 HE3 LYS B 39 16.422 13.285 12.686 1.00 2.61 H new ATOM 0 HZ1 LYS B 39 16.743 12.048 14.653 1.00 2.76 H new ATOM 0 HZ2 LYS B 39 17.696 13.446 14.795 1.00 2.76 H new ATOM 0 HZ3 LYS B 39 16.230 13.328 15.643 1.00 2.76 H new ATOM 2150 N LYS B 40 11.083 15.480 15.961 1.00 1.08 N ATOM 2151 CA LYS B 40 9.977 15.683 16.905 1.00 1.30 C ATOM 2152 C LYS B 40 9.130 14.414 17.145 1.00 1.30 C ATOM 2153 O LYS B 40 8.707 14.178 18.273 1.00 1.61 O ATOM 2154 CB LYS B 40 9.119 16.825 16.386 1.00 1.35 C ATOM 2155 CG LYS B 40 9.817 18.189 16.556 1.00 1.57 C ATOM 2156 CD LYS B 40 8.908 19.203 15.881 1.00 3.27 C ATOM 2157 CE LYS B 40 9.395 20.656 15.938 1.00 3.64 C ATOM 2158 NZ LYS B 40 8.719 21.526 14.925 1.00 5.25 N ATOM 0 H LYS B 40 10.886 15.867 15.038 1.00 1.08 H new ATOM 0 HA LYS B 40 10.400 15.928 17.879 1.00 1.30 H new ATOM 0 HB2 LYS B 40 8.894 16.661 15.332 1.00 1.35 H new ATOM 0 HB3 LYS B 40 8.167 16.835 16.917 1.00 1.35 H new ATOM 0 HG2 LYS B 40 9.956 18.429 17.610 1.00 1.57 H new ATOM 0 HG3 LYS B 40 10.806 18.183 16.097 1.00 1.57 H new ATOM 0 HD2 LYS B 40 8.786 18.918 14.836 1.00 3.27 H new ATOM 0 HD3 LYS B 40 7.923 19.148 16.344 1.00 3.27 H new ATOM 0 HE2 LYS B 40 9.215 21.057 16.935 1.00 3.64 H new ATOM 0 HE3 LYS B 40 10.472 20.682 15.774 1.00 3.64 H new ATOM 0 HZ1 LYS B 40 9.217 22.437 14.862 1.00 5.25 H new ATOM 0 HZ2 LYS B 40 8.737 21.057 13.997 1.00 5.25 H new ATOM 0 HZ3 LYS B 40 7.733 21.690 15.211 1.00 5.25 H new ATOM 2172 N GLU B 41 8.859 13.631 16.092 1.00 1.06 N ATOM 2173 CA GLU B 41 8.024 12.414 16.112 1.00 1.19 C ATOM 2174 C GLU B 41 8.801 11.097 16.259 1.00 1.10 C ATOM 2175 O GLU B 41 8.177 10.097 16.612 1.00 1.30 O ATOM 2176 CB GLU B 41 7.140 12.339 14.850 1.00 1.48 C ATOM 2177 CG GLU B 41 7.935 12.244 13.537 1.00 2.00 C ATOM 2178 CD GLU B 41 7.675 10.982 12.722 1.00 3.54 C ATOM 2179 OE1 GLU B 41 7.964 9.880 13.234 1.00 4.52 O ATOM 2180 OE2 GLU B 41 7.218 11.136 11.571 1.00 4.43 O ATOM 0 H GLU B 41 9.229 13.833 15.163 1.00 1.06 H new ATOM 0 HA GLU B 41 7.415 12.513 17.011 1.00 1.19 H new ATOM 0 HB2 GLU B 41 6.483 11.473 14.929 1.00 1.48 H new ATOM 0 HB3 GLU B 41 6.501 13.221 14.813 1.00 1.48 H new ATOM 0 HG2 GLU B 41 7.698 13.112 12.922 1.00 2.00 H new ATOM 0 HG3 GLU B 41 8.999 12.298 13.768 1.00 2.00 H new ATOM 2187 N LEU B 42 10.127 11.069 16.035 1.00 1.04 N ATOM 2188 CA LEU B 42 10.933 9.851 16.021 1.00 1.05 C ATOM 2189 C LEU B 42 12.222 10.016 16.841 1.00 1.03 C ATOM 2190 O LEU B 42 13.026 10.921 16.614 1.00 1.15 O ATOM 2191 CB LEU B 42 11.201 9.460 14.553 1.00 1.23 C ATOM 2192 CG LEU B 42 11.426 7.947 14.376 1.00 1.25 C ATOM 2193 CD1 LEU B 42 10.924 7.468 13.006 1.00 1.55 C ATOM 2194 CD2 LEU B 42 12.905 7.552 14.519 1.00 2.28 C ATOM 0 H LEU B 42 10.672 11.913 15.856 1.00 1.04 H new ATOM 0 HA LEU B 42 10.389 9.039 16.503 1.00 1.05 H new ATOM 0 HB2 LEU B 42 10.358 9.773 13.938 1.00 1.23 H new ATOM 0 HB3 LEU B 42 12.077 9.999 14.191 1.00 1.23 H new ATOM 0 HG LEU B 42 10.857 7.466 15.172 1.00 1.25 H new ATOM 0 HD11 LEU B 42 11.096 6.396 12.910 1.00 1.55 H new ATOM 0 HD12 LEU B 42 9.857 7.674 12.917 1.00 1.55 H new ATOM 0 HD13 LEU B 42 11.462 7.994 12.217 1.00 1.55 H new ATOM 0 HD21 LEU B 42 13.009 6.475 14.386 1.00 2.28 H new ATOM 0 HD22 LEU B 42 13.495 8.070 13.763 1.00 2.28 H new ATOM 0 HD23 LEU B 42 13.262 7.831 15.511 1.00 2.28 H new ATOM 2206 N CYS B 43 12.442 9.086 17.774 1.00 1.27 N ATOM 2207 CA CYS B 43 13.641 8.971 18.605 1.00 1.48 C ATOM 2208 C CYS B 43 13.844 7.505 19.044 1.00 2.75 C ATOM 2209 O CYS B 43 12.883 6.741 19.080 1.00 4.12 O ATOM 2210 CB CYS B 43 13.542 9.978 19.769 1.00 1.75 C ATOM 2211 SG CYS B 43 12.202 9.526 20.908 1.00 3.42 S ATOM 0 H CYS B 43 11.756 8.359 17.979 1.00 1.27 H new ATOM 0 HA CYS B 43 14.538 9.231 18.043 1.00 1.48 H new ATOM 0 HB2 CYS B 43 14.488 10.009 20.309 1.00 1.75 H new ATOM 0 HB3 CYS B 43 13.367 10.979 19.375 1.00 1.75 H new ATOM 0 HG CYS B 43 12.146 10.391 21.877 1.00 3.42 H new ATOM 2217 N LEU B 44 15.104 7.119 19.294 1.00 3.08 N ATOM 2218 CA LEU B 44 15.552 5.719 19.467 1.00 4.25 C ATOM 2219 C LEU B 44 16.597 5.555 20.592 1.00 5.57 C ATOM 2220 O LEU B 44 17.341 4.579 20.628 1.00 6.68 O ATOM 2221 CB LEU B 44 16.158 5.247 18.122 1.00 4.22 C ATOM 2222 CG LEU B 44 15.165 5.125 16.952 1.00 3.76 C ATOM 2223 CD1 LEU B 44 15.957 4.969 15.648 1.00 3.78 C ATOM 2224 CD2 LEU B 44 14.221 3.930 17.137 1.00 5.23 C ATOM 0 H LEU B 44 15.867 7.790 19.385 1.00 3.08 H new ATOM 0 HA LEU B 44 14.691 5.117 19.756 1.00 4.25 H new ATOM 0 HB2 LEU B 44 16.946 5.943 17.835 1.00 4.22 H new ATOM 0 HB3 LEU B 44 16.630 4.277 18.277 1.00 4.22 H new ATOM 0 HG LEU B 44 14.552 6.025 16.918 1.00 3.76 H new ATOM 0 HD11 LEU B 44 15.265 4.881 14.810 1.00 3.78 H new ATOM 0 HD12 LEU B 44 16.594 5.841 15.503 1.00 3.78 H new ATOM 0 HD13 LEU B 44 16.575 4.073 15.703 1.00 3.78 H new ATOM 0 HD21 LEU B 44 13.534 3.875 16.293 1.00 5.23 H new ATOM 0 HD22 LEU B 44 14.804 3.011 17.191 1.00 5.23 H new ATOM 0 HD23 LEU B 44 13.653 4.054 18.059 1.00 5.23 H new ATOM 2236 N GLY B 45 16.804 6.605 21.390 1.00 5.54 N ATOM 2237 CA GLY B 45 17.905 6.792 22.334 1.00 6.46 C ATOM 2238 C GLY B 45 19.063 7.440 21.588 1.00 4.94 C ATOM 2239 O GLY B 45 19.513 8.521 21.942 1.00 5.34 O ATOM 0 H GLY B 45 16.164 7.399 21.393 1.00 5.54 H new ATOM 0 HA2 GLY B 45 17.590 7.420 23.167 1.00 6.46 H new ATOM 0 HA3 GLY B 45 18.212 5.835 22.755 1.00 6.46 H new ATOM 2242 N GLU B 46 19.463 6.777 20.505 1.00 3.60 N ATOM 2243 CA GLU B 46 20.656 7.080 19.727 1.00 2.53 C ATOM 2244 C GLU B 46 20.347 7.797 18.390 1.00 2.67 C ATOM 2245 O GLU B 46 20.809 8.907 18.152 1.00 4.10 O ATOM 2246 CB GLU B 46 21.401 5.732 19.593 1.00 3.23 C ATOM 2247 CG GLU B 46 20.874 4.770 18.509 1.00 3.97 C ATOM 2248 CD GLU B 46 21.472 3.367 18.493 1.00 5.80 C ATOM 2249 OE1 GLU B 46 22.188 2.980 19.431 1.00 6.85 O ATOM 2250 OE2 GLU B 46 21.149 2.665 17.504 1.00 6.75 O ATOM 0 H GLU B 46 18.942 5.983 20.133 1.00 3.60 H new ATOM 0 HA GLU B 46 21.294 7.813 20.221 1.00 2.53 H new ATOM 0 HB2 GLU B 46 22.451 5.939 19.386 1.00 3.23 H new ATOM 0 HB3 GLU B 46 21.360 5.221 20.555 1.00 3.23 H new ATOM 0 HG2 GLU B 46 19.795 4.679 18.630 1.00 3.97 H new ATOM 0 HG3 GLU B 46 21.049 5.226 17.534 1.00 3.97 H new ATOM 2257 N MET B 47 19.514 7.170 17.547 1.00 2.53 N ATOM 2258 CA MET B 47 19.508 7.296 16.077 1.00 3.47 C ATOM 2259 C MET B 47 20.837 6.875 15.421 1.00 2.72 C ATOM 2260 O MET B 47 21.930 7.227 15.840 1.00 3.45 O ATOM 2261 CB MET B 47 19.062 8.680 15.580 1.00 5.00 C ATOM 2262 CG MET B 47 17.620 8.978 16.007 1.00 5.89 C ATOM 2263 SD MET B 47 16.656 9.862 14.755 1.00 7.38 S ATOM 2264 CE MET B 47 16.290 8.475 13.643 1.00 5.73 C ATOM 0 H MET B 47 18.793 6.532 17.883 1.00 2.53 H new ATOM 0 HA MET B 47 18.750 6.583 15.752 1.00 3.47 H new ATOM 0 HB2 MET B 47 19.728 9.445 15.978 1.00 5.00 H new ATOM 0 HB3 MET B 47 19.140 8.723 14.494 1.00 5.00 H new ATOM 0 HG2 MET B 47 17.119 8.039 16.242 1.00 5.89 H new ATOM 0 HG3 MET B 47 17.637 9.568 16.923 1.00 5.89 H new ATOM 0 HE1 MET B 47 15.503 8.765 12.947 1.00 5.73 H new ATOM 0 HE2 MET B 47 17.188 8.209 13.085 1.00 5.73 H new ATOM 0 HE3 MET B 47 15.959 7.617 14.228 1.00 5.73 H new ATOM 2274 N LYS B 48 20.729 6.097 14.344 1.00 1.86 N ATOM 2275 CA LYS B 48 21.871 5.657 13.551 1.00 1.66 C ATOM 2276 C LYS B 48 22.539 6.792 12.748 1.00 1.85 C ATOM 2277 O LYS B 48 21.866 7.728 12.318 1.00 2.43 O ATOM 2278 CB LYS B 48 21.365 4.528 12.629 1.00 1.99 C ATOM 2279 CG LYS B 48 22.078 3.206 12.916 1.00 2.61 C ATOM 2280 CD LYS B 48 21.747 2.545 14.265 1.00 3.12 C ATOM 2281 CE LYS B 48 20.258 2.197 14.413 1.00 3.81 C ATOM 2282 NZ LYS B 48 20.044 1.250 15.532 1.00 5.27 N ATOM 0 H LYS B 48 19.835 5.752 13.996 1.00 1.86 H new ATOM 0 HA LYS B 48 22.657 5.302 14.217 1.00 1.66 H new ATOM 0 HB2 LYS B 48 20.291 4.400 12.765 1.00 1.99 H new ATOM 0 HB3 LYS B 48 21.523 4.809 11.588 1.00 1.99 H new ATOM 0 HG2 LYS B 48 21.834 2.503 12.119 1.00 2.61 H new ATOM 0 HG3 LYS B 48 23.153 3.378 12.871 1.00 2.61 H new ATOM 0 HD2 LYS B 48 22.339 1.636 14.373 1.00 3.12 H new ATOM 0 HD3 LYS B 48 22.040 3.215 15.073 1.00 3.12 H new ATOM 0 HE2 LYS B 48 19.684 3.107 14.587 1.00 3.81 H new ATOM 0 HE3 LYS B 48 19.889 1.759 13.485 1.00 3.81 H new ATOM 0 HZ1 LYS B 48 19.046 1.276 15.822 1.00 5.27 H new ATOM 0 HZ2 LYS B 48 20.291 0.288 15.224 1.00 5.27 H new ATOM 0 HZ3 LYS B 48 20.645 1.521 16.336 1.00 5.27 H new ATOM 2296 N GLU B 49 23.839 6.640 12.501 1.00 2.00 N ATOM 2297 CA GLU B 49 24.631 7.386 11.515 1.00 2.45 C ATOM 2298 C GLU B 49 24.482 6.783 10.100 1.00 2.41 C ATOM 2299 O GLU B 49 23.852 5.744 9.941 1.00 3.23 O ATOM 2300 CB GLU B 49 26.121 7.303 11.893 1.00 3.58 C ATOM 2301 CG GLU B 49 26.468 7.754 13.314 1.00 4.20 C ATOM 2302 CD GLU B 49 27.977 7.678 13.556 1.00 5.52 C ATOM 2303 OE1 GLU B 49 28.606 6.747 13.003 1.00 6.36 O ATOM 2304 OE2 GLU B 49 28.479 8.555 14.285 1.00 6.26 O ATOM 0 H GLU B 49 24.402 5.957 13.009 1.00 2.00 H new ATOM 0 HA GLU B 49 24.272 8.415 11.513 1.00 2.45 H new ATOM 0 HB2 GLU B 49 26.453 6.272 11.767 1.00 3.58 H new ATOM 0 HB3 GLU B 49 26.691 7.910 11.189 1.00 3.58 H new ATOM 0 HG2 GLU B 49 26.121 8.775 13.471 1.00 4.20 H new ATOM 0 HG3 GLU B 49 25.947 7.126 14.037 1.00 4.20 H new ATOM 2311 N SER B 50 25.168 7.376 9.111 1.00 2.51 N ATOM 2312 CA SER B 50 25.515 6.823 7.792 1.00 3.05 C ATOM 2313 C SER B 50 24.384 6.809 6.745 1.00 2.80 C ATOM 2314 O SER B 50 23.288 6.310 6.988 1.00 3.62 O ATOM 2315 CB SER B 50 26.139 5.435 7.917 1.00 3.87 C ATOM 2316 OG SER B 50 27.327 5.471 8.686 1.00 3.84 O ATOM 0 H SER B 50 25.522 8.327 9.220 1.00 2.51 H new ATOM 0 HA SER B 50 26.247 7.531 7.402 1.00 3.05 H new ATOM 0 HB2 SER B 50 25.425 4.754 8.379 1.00 3.87 H new ATOM 0 HB3 SER B 50 26.358 5.042 6.924 1.00 3.87 H new ATOM 0 HG SER B 50 27.703 4.568 8.750 1.00 3.84 H new ATOM 2322 N SER B 51 24.646 7.372 5.556 1.00 2.51 N ATOM 2323 CA SER B 51 23.709 7.491 4.408 1.00 2.45 C ATOM 2324 C SER B 51 22.575 8.501 4.669 1.00 2.20 C ATOM 2325 O SER B 51 22.232 9.290 3.801 1.00 2.50 O ATOM 2326 CB SER B 51 23.111 6.135 3.997 1.00 2.83 C ATOM 2327 OG SER B 51 24.101 5.132 3.820 1.00 2.93 O ATOM 0 H SER B 51 25.558 7.779 5.350 1.00 2.51 H new ATOM 0 HA SER B 51 24.314 7.866 3.583 1.00 2.45 H new ATOM 0 HB2 SER B 51 22.401 5.810 4.758 1.00 2.83 H new ATOM 0 HB3 SER B 51 22.551 6.255 3.070 1.00 2.83 H new ATOM 0 HG SER B 51 23.671 4.290 3.561 1.00 2.93 H new ATOM 2333 N ILE B 52 22.046 8.525 5.895 1.00 2.00 N ATOM 2334 CA ILE B 52 21.075 9.505 6.411 1.00 1.71 C ATOM 2335 C ILE B 52 21.584 10.954 6.369 1.00 1.62 C ATOM 2336 O ILE B 52 20.773 11.877 6.400 1.00 1.45 O ATOM 2337 CB ILE B 52 20.624 9.088 7.834 1.00 1.83 C ATOM 2338 CG1 ILE B 52 21.740 9.092 8.908 1.00 2.49 C ATOM 2339 CG2 ILE B 52 19.997 7.678 7.774 1.00 2.19 C ATOM 2340 CD1 ILE B 52 21.910 10.433 9.635 1.00 2.66 C ATOM 0 H ILE B 52 22.294 7.826 6.595 1.00 2.00 H new ATOM 0 HA ILE B 52 20.212 9.494 5.745 1.00 1.71 H new ATOM 0 HB ILE B 52 19.907 9.847 8.146 1.00 1.83 H new ATOM 0 HG12 ILE B 52 21.523 8.318 9.644 1.00 2.49 H new ATOM 0 HG13 ILE B 52 22.685 8.826 8.435 1.00 2.49 H new ATOM 0 HG21 ILE B 52 19.678 7.379 8.772 1.00 2.19 H new ATOM 0 HG22 ILE B 52 19.136 7.691 7.106 1.00 2.19 H new ATOM 0 HG23 ILE B 52 20.735 6.967 7.401 1.00 2.19 H new ATOM 0 HD11 ILE B 52 22.711 10.350 10.370 1.00 2.66 H new ATOM 0 HD12 ILE B 52 22.160 11.210 8.912 1.00 2.66 H new ATOM 0 HD13 ILE B 52 20.980 10.693 10.140 1.00 2.66 H new ATOM 2352 N ASP B 53 22.904 11.135 6.314 1.00 1.94 N ATOM 2353 CA ASP B 53 23.593 12.424 6.213 1.00 2.16 C ATOM 2354 C ASP B 53 23.372 13.090 4.845 1.00 1.90 C ATOM 2355 O ASP B 53 23.064 14.282 4.791 1.00 1.80 O ATOM 2356 CB ASP B 53 25.085 12.187 6.515 1.00 2.97 C ATOM 2357 CG ASP B 53 25.886 13.490 6.647 1.00 3.65 C ATOM 2358 OD1 ASP B 53 25.467 14.340 7.467 1.00 3.30 O ATOM 2359 OD2 ASP B 53 26.928 13.606 5.962 1.00 5.03 O ATOM 0 H ASP B 53 23.554 10.349 6.340 1.00 1.94 H new ATOM 0 HA ASP B 53 23.180 13.123 6.940 1.00 2.16 H new ATOM 0 HB2 ASP B 53 25.176 11.616 7.439 1.00 2.97 H new ATOM 0 HB3 ASP B 53 25.519 11.580 5.721 1.00 2.97 H new ATOM 2364 N ASP B 54 23.398 12.317 3.746 1.00 1.90 N ATOM 2365 CA ASP B 54 22.960 12.819 2.437 1.00 1.81 C ATOM 2366 C ASP B 54 21.480 13.166 2.508 1.00 1.28 C ATOM 2367 O ASP B 54 21.111 14.260 2.104 1.00 1.16 O ATOM 2368 CB ASP B 54 23.185 11.827 1.277 1.00 2.22 C ATOM 2369 CG ASP B 54 22.814 12.461 -0.087 1.00 2.48 C ATOM 2370 OD1 ASP B 54 21.611 12.759 -0.328 1.00 3.24 O ATOM 2371 OD2 ASP B 54 23.736 12.703 -0.891 1.00 2.92 O ATOM 0 H ASP B 54 23.716 11.348 3.740 1.00 1.90 H new ATOM 0 HA ASP B 54 23.572 13.695 2.222 1.00 1.81 H new ATOM 0 HB2 ASP B 54 24.229 11.512 1.262 1.00 2.22 H new ATOM 0 HB3 ASP B 54 22.584 10.932 1.440 1.00 2.22 H new ATOM 2376 N LEU B 55 20.636 12.275 3.046 1.00 1.12 N ATOM 2377 CA LEU B 55 19.188 12.497 3.099 1.00 0.85 C ATOM 2378 C LEU B 55 18.875 13.799 3.841 1.00 0.79 C ATOM 2379 O LEU B 55 18.163 14.658 3.315 1.00 0.74 O ATOM 2380 CB LEU B 55 18.478 11.284 3.729 1.00 0.76 C ATOM 2381 CG LEU B 55 18.686 9.943 3.005 1.00 0.95 C ATOM 2382 CD1 LEU B 55 17.936 8.837 3.761 1.00 0.85 C ATOM 2383 CD2 LEU B 55 18.209 9.996 1.547 1.00 1.20 C ATOM 0 H LEU B 55 20.936 11.389 3.453 1.00 1.12 H new ATOM 0 HA LEU B 55 18.806 12.602 2.083 1.00 0.85 H new ATOM 0 HB2 LEU B 55 18.822 11.178 4.758 1.00 0.76 H new ATOM 0 HB3 LEU B 55 17.409 11.492 3.770 1.00 0.76 H new ATOM 0 HG LEU B 55 19.755 9.730 2.990 1.00 0.95 H new ATOM 0 HD11 LEU B 55 18.081 7.885 3.251 1.00 0.85 H new ATOM 0 HD12 LEU B 55 18.321 8.766 4.778 1.00 0.85 H new ATOM 0 HD13 LEU B 55 16.873 9.074 3.792 1.00 0.85 H new ATOM 0 HD21 LEU B 55 18.375 9.028 1.074 1.00 1.20 H new ATOM 0 HD22 LEU B 55 17.146 10.235 1.520 1.00 1.20 H new ATOM 0 HD23 LEU B 55 18.767 10.763 1.009 1.00 1.20 H new ATOM 2395 N MET B 56 19.485 14.016 5.010 1.00 0.96 N ATOM 2396 CA MET B 56 19.371 15.264 5.772 1.00 1.09 C ATOM 2397 C MET B 56 19.886 16.480 5.005 1.00 1.11 C ATOM 2398 O MET B 56 19.222 17.521 5.039 1.00 1.15 O ATOM 2399 CB MET B 56 20.093 15.108 7.119 1.00 1.43 C ATOM 2400 CG MET B 56 19.254 14.271 8.075 1.00 1.37 C ATOM 2401 SD MET B 56 17.767 15.124 8.647 1.00 1.60 S ATOM 2402 CE MET B 56 17.758 14.429 10.303 1.00 1.99 C ATOM 0 H MET B 56 20.080 13.321 5.460 1.00 0.96 H new ATOM 0 HA MET B 56 18.311 15.451 5.946 1.00 1.09 H new ATOM 0 HB2 MET B 56 21.063 14.635 6.967 1.00 1.43 H new ATOM 0 HB3 MET B 56 20.282 16.089 7.554 1.00 1.43 H new ATOM 0 HG2 MET B 56 18.966 13.344 7.579 1.00 1.37 H new ATOM 0 HG3 MET B 56 19.862 13.996 8.937 1.00 1.37 H new ATOM 0 HE1 MET B 56 16.906 14.822 10.858 1.00 1.99 H new ATOM 0 HE2 MET B 56 17.682 13.343 10.242 1.00 1.99 H new ATOM 0 HE3 MET B 56 18.681 14.700 10.816 1.00 1.99 H new ATOM 2412 N LYS B 57 21.015 16.387 4.292 1.00 1.16 N ATOM 2413 CA LYS B 57 21.551 17.489 3.476 1.00 1.20 C ATOM 2414 C LYS B 57 20.839 17.647 2.115 1.00 1.17 C ATOM 2415 O LYS B 57 20.899 18.696 1.485 1.00 1.31 O ATOM 2416 CB LYS B 57 23.085 17.387 3.387 1.00 1.31 C ATOM 2417 CG LYS B 57 23.801 18.753 3.442 1.00 1.53 C ATOM 2418 CD LYS B 57 23.857 19.545 2.120 1.00 3.26 C ATOM 2419 CE LYS B 57 23.005 20.830 2.015 1.00 4.76 C ATOM 2420 NZ LYS B 57 23.241 21.853 3.072 1.00 5.34 N ATOM 0 H LYS B 57 21.587 15.543 4.263 1.00 1.16 H new ATOM 0 HA LYS B 57 21.326 18.427 3.983 1.00 1.20 H new ATOM 0 HB2 LYS B 57 23.447 16.764 4.205 1.00 1.31 H new ATOM 0 HB3 LYS B 57 23.354 16.883 2.459 1.00 1.31 H new ATOM 0 HG2 LYS B 57 23.305 19.370 4.191 1.00 1.53 H new ATOM 0 HG3 LYS B 57 24.822 18.591 3.788 1.00 1.53 H new ATOM 0 HD2 LYS B 57 24.897 19.816 1.935 1.00 3.26 H new ATOM 0 HD3 LYS B 57 23.554 18.875 1.315 1.00 3.26 H new ATOM 0 HE2 LYS B 57 23.192 21.289 1.044 1.00 4.76 H new ATOM 0 HE3 LYS B 57 21.952 20.548 2.037 1.00 4.76 H new ATOM 0 HZ1 LYS B 57 22.883 22.775 2.749 1.00 5.34 H new ATOM 0 HZ2 LYS B 57 22.744 21.574 3.942 1.00 5.34 H new ATOM 0 HZ3 LYS B 57 24.261 21.926 3.263 1.00 5.34 H new ATOM 2434 N SER B 58 20.092 16.647 1.674 1.00 1.04 N ATOM 2435 CA SER B 58 19.161 16.629 0.538 1.00 1.06 C ATOM 2436 C SER B 58 17.801 17.281 0.873 1.00 1.01 C ATOM 2437 O SER B 58 17.141 17.826 -0.022 1.00 1.20 O ATOM 2438 CB SER B 58 19.061 15.210 -0.051 1.00 1.10 C ATOM 2439 OG SER B 58 20.242 14.957 -0.816 1.00 1.81 O ATOM 0 H SER B 58 20.119 15.740 2.140 1.00 1.04 H new ATOM 0 HA SER B 58 19.566 17.262 -0.252 1.00 1.06 H new ATOM 0 HB2 SER B 58 18.960 14.474 0.747 1.00 1.10 H new ATOM 0 HB3 SER B 58 18.175 15.121 -0.680 1.00 1.10 H new ATOM 0 HG SER B 58 20.510 14.021 -0.704 1.00 1.81 H new ATOM 2445 N LEU B 59 17.435 17.366 2.158 1.00 0.90 N ATOM 2446 CA LEU B 59 16.434 18.327 2.651 1.00 0.96 C ATOM 2447 C LEU B 59 17.025 19.741 2.755 1.00 1.04 C ATOM 2448 O LEU B 59 16.463 20.697 2.221 1.00 1.24 O ATOM 2449 CB LEU B 59 15.858 17.852 3.996 1.00 1.02 C ATOM 2450 CG LEU B 59 15.202 16.457 3.962 1.00 0.99 C ATOM 2451 CD1 LEU B 59 14.622 16.145 5.345 1.00 1.14 C ATOM 2452 CD2 LEU B 59 14.123 16.326 2.882 1.00 1.05 C ATOM 0 H LEU B 59 17.824 16.770 2.889 1.00 0.90 H new ATOM 0 HA LEU B 59 15.617 18.375 1.932 1.00 0.96 H new ATOM 0 HB2 LEU B 59 16.659 17.844 4.735 1.00 1.02 H new ATOM 0 HB3 LEU B 59 15.119 18.578 4.335 1.00 1.02 H new ATOM 0 HG LEU B 59 15.975 15.733 3.703 1.00 0.99 H new ATOM 0 HD11 LEU B 59 14.156 15.160 5.330 1.00 1.14 H new ATOM 0 HD12 LEU B 59 15.421 16.157 6.086 1.00 1.14 H new ATOM 0 HD13 LEU B 59 13.876 16.896 5.604 1.00 1.14 H new ATOM 0 HD21 LEU B 59 13.700 15.322 2.910 1.00 1.05 H new ATOM 0 HD22 LEU B 59 13.335 17.057 3.064 1.00 1.05 H new ATOM 0 HD23 LEU B 59 14.565 16.506 1.902 1.00 1.05 H new ATOM 2464 N ASP B 60 18.209 19.841 3.359 1.00 1.04 N ATOM 2465 CA ASP B 60 19.042 21.049 3.494 1.00 1.24 C ATOM 2466 C ASP B 60 19.576 21.604 2.150 1.00 1.29 C ATOM 2467 O ASP B 60 20.386 22.526 2.128 1.00 1.77 O ATOM 2468 CB ASP B 60 20.217 20.659 4.404 1.00 1.49 C ATOM 2469 CG ASP B 60 20.642 21.669 5.456 1.00 1.84 C ATOM 2470 OD1 ASP B 60 19.834 21.833 6.404 1.00 1.96 O ATOM 2471 OD2 ASP B 60 21.826 22.076 5.385 1.00 3.07 O ATOM 0 H ASP B 60 18.646 19.030 3.798 1.00 1.04 H new ATOM 0 HA ASP B 60 18.431 21.852 3.906 1.00 1.24 H new ATOM 0 HB2 ASP B 60 19.958 19.730 4.912 1.00 1.49 H new ATOM 0 HB3 ASP B 60 21.079 20.446 3.771 1.00 1.49 H new ATOM 2476 N LYS B 61 19.214 20.975 1.026 1.00 1.20 N ATOM 2477 CA LYS B 61 19.613 21.352 -0.337 1.00 1.40 C ATOM 2478 C LYS B 61 18.830 22.585 -0.827 1.00 1.36 C ATOM 2479 O LYS B 61 19.390 23.437 -1.503 1.00 1.55 O ATOM 2480 CB LYS B 61 19.365 20.124 -1.249 1.00 1.55 C ATOM 2481 CG LYS B 61 20.263 19.985 -2.490 1.00 2.10 C ATOM 2482 CD LYS B 61 21.706 19.511 -2.215 1.00 2.29 C ATOM 2483 CE LYS B 61 21.864 18.115 -1.571 1.00 3.31 C ATOM 2484 NZ LYS B 61 21.410 16.982 -2.427 1.00 4.43 N ATOM 0 H LYS B 61 18.609 20.154 1.041 1.00 1.20 H new ATOM 0 HA LYS B 61 20.666 21.631 -0.361 1.00 1.40 H new ATOM 0 HB2 LYS B 61 19.480 19.224 -0.645 1.00 1.55 H new ATOM 0 HB3 LYS B 61 18.328 20.153 -1.583 1.00 1.55 H new ATOM 0 HG2 LYS B 61 19.794 19.284 -3.180 1.00 2.10 H new ATOM 0 HG3 LYS B 61 20.306 20.949 -2.996 1.00 2.10 H new ATOM 0 HD2 LYS B 61 22.252 19.515 -3.159 1.00 2.29 H new ATOM 0 HD3 LYS B 61 22.187 20.242 -1.566 1.00 2.29 H new ATOM 0 HE2 LYS B 61 22.913 17.963 -1.316 1.00 3.31 H new ATOM 0 HE3 LYS B 61 21.303 18.095 -0.637 1.00 3.31 H new ATOM 0 HZ1 LYS B 61 20.975 16.249 -1.831 1.00 4.43 H new ATOM 0 HZ2 LYS B 61 20.713 17.326 -3.117 1.00 4.43 H new ATOM 0 HZ3 LYS B 61 22.226 16.579 -2.931 1.00 4.43 H new ATOM 2498 N ASN B 62 17.547 22.653 -0.441 1.00 1.22 N ATOM 2499 CA ASN B 62 16.587 23.702 -0.814 1.00 1.38 C ATOM 2500 C ASN B 62 15.935 24.286 0.461 1.00 1.28 C ATOM 2501 O ASN B 62 15.892 25.494 0.655 1.00 2.00 O ATOM 2502 CB ASN B 62 15.492 23.137 -1.755 1.00 1.64 C ATOM 2503 CG ASN B 62 15.973 22.505 -3.067 1.00 1.95 C ATOM 2504 OD1 ASN B 62 17.122 22.128 -3.239 1.00 1.89 O ATOM 2505 ND2 ASN B 62 15.087 22.290 -4.019 1.00 3.05 N ATOM 0 H ASN B 62 17.132 21.947 0.167 1.00 1.22 H new ATOM 0 HA ASN B 62 17.121 24.490 -1.344 1.00 1.38 H new ATOM 0 HB2 ASN B 62 14.923 22.388 -1.204 1.00 1.64 H new ATOM 0 HB3 ASN B 62 14.802 23.945 -1.999 1.00 1.64 H new ATOM 0 HD21 ASN B 62 15.366 21.817 -4.878 1.00 3.05 H new ATOM 0 HD22 ASN B 62 14.122 22.597 -3.896 1.00 3.05 H new ATOM 2512 N SER B 63 15.491 23.405 1.367 1.00 1.16 N ATOM 2513 CA SER B 63 15.009 23.626 2.748 1.00 1.12 C ATOM 2514 C SER B 63 13.702 24.421 2.917 1.00 1.00 C ATOM 2515 O SER B 63 12.825 23.968 3.649 1.00 1.27 O ATOM 2516 CB SER B 63 16.136 24.156 3.644 1.00 1.44 C ATOM 2517 OG SER B 63 16.504 25.492 3.366 1.00 1.65 O ATOM 0 H SER B 63 15.455 22.413 1.131 1.00 1.16 H new ATOM 0 HA SER B 63 14.714 22.631 3.083 1.00 1.12 H new ATOM 0 HB2 SER B 63 15.824 24.084 4.686 1.00 1.44 H new ATOM 0 HB3 SER B 63 17.011 23.516 3.529 1.00 1.44 H new ATOM 0 HG SER B 63 16.207 25.732 2.464 1.00 1.65 H new ATOM 2523 N ASP B 64 13.535 25.540 2.219 1.00 0.89 N ATOM 2524 CA ASP B 64 12.311 26.345 2.184 1.00 1.10 C ATOM 2525 C ASP B 64 11.150 25.582 1.521 1.00 1.41 C ATOM 2526 O ASP B 64 10.094 25.397 2.120 1.00 2.56 O ATOM 2527 CB ASP B 64 12.649 27.627 1.413 1.00 1.81 C ATOM 2528 CG ASP B 64 11.399 28.412 1.023 1.00 3.76 C ATOM 2529 OD1 ASP B 64 10.901 29.151 1.895 1.00 4.47 O ATOM 2530 OD2 ASP B 64 10.966 28.232 -0.139 1.00 5.40 O ATOM 0 H ASP B 64 14.277 25.930 1.637 1.00 0.89 H new ATOM 0 HA ASP B 64 11.976 26.577 3.195 1.00 1.10 H new ATOM 0 HB2 ASP B 64 13.295 28.257 2.024 1.00 1.81 H new ATOM 0 HB3 ASP B 64 13.210 27.371 0.514 1.00 1.81 H new ATOM 2535 N GLN B 65 11.407 25.122 0.293 1.00 1.01 N ATOM 2536 CA GLN B 65 10.465 24.527 -0.654 1.00 1.04 C ATOM 2537 C GLN B 65 9.440 23.587 -0.025 1.00 0.94 C ATOM 2538 O GLN B 65 9.790 22.769 0.828 1.00 1.13 O ATOM 2539 CB GLN B 65 11.273 23.646 -1.611 1.00 1.19 C ATOM 2540 CG GLN B 65 10.576 23.336 -2.940 1.00 2.74 C ATOM 2541 CD GLN B 65 11.133 22.035 -3.497 1.00 3.50 C ATOM 2542 OE1 GLN B 65 12.257 21.984 -3.967 1.00 3.62 O ATOM 2543 NE2 GLN B 65 10.424 20.934 -3.386 1.00 4.71 N ATOM 0 H GLN B 65 12.351 25.160 -0.092 1.00 1.01 H new ATOM 0 HA GLN B 65 9.934 25.359 -1.115 1.00 1.04 H new ATOM 0 HB2 GLN B 65 12.223 24.138 -1.821 1.00 1.19 H new ATOM 0 HB3 GLN B 65 11.504 22.706 -1.110 1.00 1.19 H new ATOM 0 HG2 GLN B 65 9.500 23.252 -2.790 1.00 2.74 H new ATOM 0 HG3 GLN B 65 10.737 24.149 -3.648 1.00 2.74 H new ATOM 0 HE21 GLN B 65 9.483 20.971 -2.994 1.00 4.71 H new ATOM 0 HE22 GLN B 65 10.815 20.043 -3.692 1.00 4.71 H new ATOM 2552 N GLU B 66 8.225 23.559 -0.564 1.00 0.85 N ATOM 2553 CA GLU B 66 7.274 22.523 -0.201 1.00 0.87 C ATOM 2554 C GLU B 66 7.458 21.189 -0.915 1.00 1.08 C ATOM 2555 O GLU B 66 7.927 21.089 -2.053 1.00 1.33 O ATOM 2556 CB GLU B 66 5.829 22.996 -0.366 1.00 0.82 C ATOM 2557 CG GLU B 66 5.454 24.049 0.674 1.00 1.05 C ATOM 2558 CD GLU B 66 3.939 24.120 0.765 1.00 1.94 C ATOM 2559 OE1 GLU B 66 3.373 23.303 1.532 1.00 3.53 O ATOM 2560 OE2 GLU B 66 3.352 24.948 0.040 1.00 2.14 O ATOM 0 H GLU B 66 7.882 24.235 -1.246 1.00 0.85 H new ATOM 0 HA GLU B 66 7.490 22.335 0.851 1.00 0.87 H new ATOM 0 HB2 GLU B 66 5.694 23.408 -1.366 1.00 0.82 H new ATOM 0 HB3 GLU B 66 5.155 22.143 -0.279 1.00 0.82 H new ATOM 0 HG2 GLU B 66 5.880 23.792 1.644 1.00 1.05 H new ATOM 0 HG3 GLU B 66 5.862 25.020 0.394 1.00 1.05 H new ATOM 2567 N ILE B 67 7.030 20.148 -0.205 1.00 1.11 N ATOM 2568 CA ILE B 67 6.846 18.778 -0.671 1.00 1.32 C ATOM 2569 C ILE B 67 5.404 18.291 -0.476 1.00 1.36 C ATOM 2570 O ILE B 67 4.676 18.744 0.404 1.00 1.38 O ATOM 2571 CB ILE B 67 7.818 17.836 0.065 1.00 1.56 C ATOM 2572 CG1 ILE B 67 7.682 17.914 1.604 1.00 2.15 C ATOM 2573 CG2 ILE B 67 9.261 18.122 -0.378 1.00 2.27 C ATOM 2574 CD1 ILE B 67 8.409 16.788 2.338 1.00 2.64 C ATOM 0 H ILE B 67 6.786 20.248 0.780 1.00 1.11 H new ATOM 0 HA ILE B 67 7.057 18.766 -1.740 1.00 1.32 H new ATOM 0 HB ILE B 67 7.553 16.815 -0.210 1.00 1.56 H new ATOM 0 HG12 ILE B 67 8.072 18.872 1.947 1.00 2.15 H new ATOM 0 HG13 ILE B 67 6.625 17.887 1.869 1.00 2.15 H new ATOM 0 HG21 ILE B 67 9.942 17.452 0.147 1.00 2.27 H new ATOM 0 HG22 ILE B 67 9.350 17.962 -1.452 1.00 2.27 H new ATOM 0 HG23 ILE B 67 9.516 19.155 -0.143 1.00 2.27 H new ATOM 0 HD11 ILE B 67 8.271 16.906 3.413 1.00 2.64 H new ATOM 0 HD12 ILE B 67 8.003 15.827 2.023 1.00 2.64 H new ATOM 0 HD13 ILE B 67 9.472 16.827 2.102 1.00 2.64 H new ATOM 2586 N ASP B 68 5.035 17.301 -1.283 1.00 1.43 N ATOM 2587 CA ASP B 68 3.925 16.371 -1.067 1.00 1.40 C ATOM 2588 C ASP B 68 4.242 15.445 0.125 1.00 0.99 C ATOM 2589 O ASP B 68 5.408 15.119 0.381 1.00 1.12 O ATOM 2590 CB ASP B 68 3.792 15.578 -2.387 1.00 1.63 C ATOM 2591 CG ASP B 68 2.620 14.593 -2.588 1.00 1.77 C ATOM 2592 OD1 ASP B 68 2.355 13.766 -1.693 1.00 2.60 O ATOM 2593 OD2 ASP B 68 2.097 14.531 -3.726 1.00 2.51 O ATOM 0 H ASP B 68 5.529 17.113 -2.155 1.00 1.43 H new ATOM 0 HA ASP B 68 2.992 16.879 -0.824 1.00 1.40 H new ATOM 0 HB2 ASP B 68 3.745 16.305 -3.197 1.00 1.63 H new ATOM 0 HB3 ASP B 68 4.715 15.013 -2.519 1.00 1.63 H new ATOM 2598 N PHE B 69 3.185 14.935 0.766 1.00 0.80 N ATOM 2599 CA PHE B 69 3.166 13.764 1.656 1.00 0.73 C ATOM 2600 C PHE B 69 4.111 12.602 1.257 1.00 0.65 C ATOM 2601 O PHE B 69 4.477 11.794 2.110 1.00 0.75 O ATOM 2602 CB PHE B 69 1.711 13.237 1.680 1.00 0.79 C ATOM 2603 CG PHE B 69 0.965 13.365 2.992 1.00 1.25 C ATOM 2604 CD1 PHE B 69 1.388 12.644 4.124 1.00 2.10 C ATOM 2605 CD2 PHE B 69 -0.202 14.151 3.061 1.00 2.60 C ATOM 2606 CE1 PHE B 69 0.643 12.710 5.317 1.00 2.92 C ATOM 2607 CE2 PHE B 69 -0.942 14.220 4.252 1.00 3.42 C ATOM 2608 CZ PHE B 69 -0.520 13.496 5.381 1.00 3.26 C ATOM 0 H PHE B 69 2.260 15.354 0.673 1.00 0.80 H new ATOM 0 HA PHE B 69 3.530 14.101 2.627 1.00 0.73 H new ATOM 0 HB2 PHE B 69 1.145 13.765 0.913 1.00 0.79 H new ATOM 0 HB3 PHE B 69 1.725 12.184 1.397 1.00 0.79 H new ATOM 0 HD1 PHE B 69 2.283 12.041 4.078 1.00 2.10 H new ATOM 0 HD2 PHE B 69 -0.529 14.704 2.193 1.00 2.60 H new ATOM 0 HE1 PHE B 69 0.966 12.155 6.185 1.00 2.92 H new ATOM 0 HE2 PHE B 69 -1.833 14.828 4.301 1.00 3.42 H new ATOM 0 HZ PHE B 69 -1.090 13.544 6.297 1.00 3.26 H new ATOM 2618 N LYS B 70 4.507 12.483 -0.018 1.00 0.62 N ATOM 2619 CA LYS B 70 5.332 11.418 -0.582 1.00 0.68 C ATOM 2620 C LYS B 70 6.811 11.581 -0.248 1.00 0.65 C ATOM 2621 O LYS B 70 7.390 10.623 0.265 1.00 0.77 O ATOM 2622 CB LYS B 70 5.110 11.407 -2.095 1.00 0.78 C ATOM 2623 CG LYS B 70 3.735 10.832 -2.450 1.00 1.63 C ATOM 2624 CD LYS B 70 3.298 11.286 -3.848 1.00 2.15 C ATOM 2625 CE LYS B 70 1.772 11.264 -3.880 1.00 3.92 C ATOM 2626 NZ LYS B 70 1.229 12.199 -4.888 1.00 4.93 N ATOM 0 H LYS B 70 4.241 13.172 -0.721 1.00 0.62 H new ATOM 0 HA LYS B 70 5.034 10.467 -0.141 1.00 0.68 H new ATOM 0 HB2 LYS B 70 5.194 12.421 -2.485 1.00 0.78 H new ATOM 0 HB3 LYS B 70 5.889 10.815 -2.575 1.00 0.78 H new ATOM 0 HG2 LYS B 70 3.770 9.743 -2.411 1.00 1.63 H new ATOM 0 HG3 LYS B 70 3.000 11.154 -1.712 1.00 1.63 H new ATOM 0 HD2 LYS B 70 3.672 12.288 -4.060 1.00 2.15 H new ATOM 0 HD3 LYS B 70 3.707 10.625 -4.612 1.00 2.15 H new ATOM 0 HE2 LYS B 70 1.428 10.253 -4.100 1.00 3.92 H new ATOM 0 HE3 LYS B 70 1.384 11.526 -2.896 1.00 3.92 H new ATOM 0 HZ1 LYS B 70 0.190 12.192 -4.844 1.00 4.93 H new ATOM 0 HZ2 LYS B 70 1.578 13.159 -4.694 1.00 4.93 H new ATOM 0 HZ3 LYS B 70 1.537 11.904 -5.837 1.00 4.93 H new ATOM 2640 N GLU B 71 7.417 12.757 -0.478 1.00 0.58 N ATOM 2641 CA GLU B 71 8.828 12.948 -0.106 1.00 0.56 C ATOM 2642 C GLU B 71 9.003 12.831 1.415 1.00 0.66 C ATOM 2643 O GLU B 71 10.064 12.472 1.913 1.00 0.93 O ATOM 2644 CB GLU B 71 9.406 14.284 -0.600 1.00 0.71 C ATOM 2645 CG GLU B 71 9.403 14.454 -2.126 1.00 0.93 C ATOM 2646 CD GLU B 71 10.754 15.004 -2.618 1.00 1.49 C ATOM 2647 OE1 GLU B 71 10.960 16.233 -2.484 1.00 2.13 O ATOM 2648 OE2 GLU B 71 11.615 14.219 -3.063 1.00 2.68 O ATOM 0 H GLU B 71 6.969 13.567 -0.906 1.00 0.58 H new ATOM 0 HA GLU B 71 9.388 12.156 -0.603 1.00 0.56 H new ATOM 0 HB2 GLU B 71 8.835 15.099 -0.155 1.00 0.71 H new ATOM 0 HB3 GLU B 71 10.430 14.378 -0.239 1.00 0.71 H new ATOM 0 HG2 GLU B 71 9.200 13.495 -2.603 1.00 0.93 H new ATOM 0 HG3 GLU B 71 8.601 15.131 -2.419 1.00 0.93 H new ATOM 2655 N TYR B 72 7.925 13.082 2.158 1.00 0.61 N ATOM 2656 CA TYR B 72 7.858 12.859 3.598 1.00 0.72 C ATOM 2657 C TYR B 72 7.786 11.365 3.974 1.00 0.79 C ATOM 2658 O TYR B 72 8.577 10.866 4.778 1.00 0.87 O ATOM 2659 CB TYR B 72 6.648 13.657 4.104 1.00 0.78 C ATOM 2660 CG TYR B 72 6.309 13.425 5.557 1.00 1.04 C ATOM 2661 CD1 TYR B 72 5.417 12.401 5.940 1.00 1.30 C ATOM 2662 CD2 TYR B 72 6.909 14.240 6.527 1.00 2.43 C ATOM 2663 CE1 TYR B 72 5.145 12.180 7.302 1.00 1.32 C ATOM 2664 CE2 TYR B 72 6.669 13.999 7.885 1.00 2.64 C ATOM 2665 CZ TYR B 72 5.768 12.991 8.279 1.00 1.52 C ATOM 2666 OH TYR B 72 5.495 12.832 9.598 1.00 1.78 O ATOM 0 H TYR B 72 7.059 13.453 1.766 1.00 0.61 H new ATOM 0 HA TYR B 72 8.774 13.203 4.078 1.00 0.72 H new ATOM 0 HB2 TYR B 72 6.841 14.719 3.954 1.00 0.78 H new ATOM 0 HB3 TYR B 72 5.780 13.402 3.496 1.00 0.78 H new ATOM 0 HD1 TYR B 72 4.944 11.787 5.188 1.00 1.30 H new ATOM 0 HD2 TYR B 72 7.555 15.052 6.227 1.00 2.43 H new ATOM 0 HE1 TYR B 72 4.465 11.396 7.600 1.00 1.32 H new ATOM 0 HE2 TYR B 72 7.177 14.589 8.634 1.00 2.64 H new ATOM 0 HH TYR B 72 6.218 12.325 10.023 1.00 1.78 H new ATOM 2676 N SER B 73 6.853 10.616 3.380 1.00 0.83 N ATOM 2677 CA SER B 73 6.633 9.196 3.685 1.00 1.01 C ATOM 2678 C SER B 73 7.762 8.279 3.194 1.00 1.00 C ATOM 2679 O SER B 73 8.164 7.386 3.942 1.00 1.12 O ATOM 2680 CB SER B 73 5.298 8.734 3.124 1.00 1.14 C ATOM 2681 OG SER B 73 5.272 8.807 1.720 1.00 1.46 O ATOM 0 H SER B 73 6.222 10.980 2.666 1.00 0.83 H new ATOM 0 HA SER B 73 6.625 9.117 4.772 1.00 1.01 H new ATOM 0 HB2 SER B 73 5.106 7.708 3.439 1.00 1.14 H new ATOM 0 HB3 SER B 73 4.498 9.349 3.536 1.00 1.14 H new ATOM 0 HG SER B 73 4.559 8.229 1.376 1.00 1.46 H new ATOM 2687 N VAL B 74 8.331 8.516 2.004 1.00 0.90 N ATOM 2688 CA VAL B 74 9.499 7.756 1.522 1.00 0.94 C ATOM 2689 C VAL B 74 10.727 7.966 2.402 1.00 0.91 C ATOM 2690 O VAL B 74 11.535 7.050 2.511 1.00 0.94 O ATOM 2691 CB VAL B 74 9.901 8.032 0.058 1.00 0.95 C ATOM 2692 CG1 VAL B 74 8.750 7.709 -0.898 1.00 1.01 C ATOM 2693 CG2 VAL B 74 10.473 9.439 -0.183 1.00 0.89 C ATOM 0 H VAL B 74 8.002 9.230 1.354 1.00 0.90 H new ATOM 0 HA VAL B 74 9.159 6.722 1.578 1.00 0.94 H new ATOM 0 HB VAL B 74 10.727 7.355 -0.158 1.00 0.95 H new ATOM 0 HG11 VAL B 74 9.060 7.913 -1.923 1.00 1.01 H new ATOM 0 HG12 VAL B 74 8.482 6.657 -0.802 1.00 1.01 H new ATOM 0 HG13 VAL B 74 7.887 8.327 -0.651 1.00 1.01 H new ATOM 0 HG21 VAL B 74 10.730 9.552 -1.236 1.00 0.89 H new ATOM 0 HG22 VAL B 74 9.728 10.186 0.091 1.00 0.89 H new ATOM 0 HG23 VAL B 74 11.367 9.578 0.426 1.00 0.89 H new ATOM 2703 N PHE B 75 10.867 9.126 3.055 1.00 0.86 N ATOM 2704 CA PHE B 75 11.989 9.416 3.943 1.00 0.80 C ATOM 2705 C PHE B 75 11.850 8.651 5.256 1.00 0.86 C ATOM 2706 O PHE B 75 12.802 8.000 5.664 1.00 0.90 O ATOM 2707 CB PHE B 75 12.033 10.935 4.181 1.00 0.70 C ATOM 2708 CG PHE B 75 13.348 11.478 4.701 1.00 0.58 C ATOM 2709 CD1 PHE B 75 13.838 11.130 5.975 1.00 1.90 C ATOM 2710 CD2 PHE B 75 14.087 12.356 3.888 1.00 1.46 C ATOM 2711 CE1 PHE B 75 15.073 11.633 6.417 1.00 1.85 C ATOM 2712 CE2 PHE B 75 15.308 12.876 4.343 1.00 1.53 C ATOM 2713 CZ PHE B 75 15.802 12.521 5.608 1.00 0.62 C ATOM 0 H PHE B 75 10.198 9.892 2.979 1.00 0.86 H new ATOM 0 HA PHE B 75 12.924 9.092 3.485 1.00 0.80 H new ATOM 0 HB2 PHE B 75 11.798 11.439 3.243 1.00 0.70 H new ATOM 0 HB3 PHE B 75 11.247 11.197 4.889 1.00 0.70 H new ATOM 0 HD1 PHE B 75 13.263 10.475 6.613 1.00 1.90 H new ATOM 0 HD2 PHE B 75 13.714 12.630 2.912 1.00 1.46 H new ATOM 0 HE1 PHE B 75 15.463 11.337 7.380 1.00 1.85 H new ATOM 0 HE2 PHE B 75 15.871 13.553 3.717 1.00 1.53 H new ATOM 0 HZ PHE B 75 16.739 12.929 5.958 1.00 0.62 H new ATOM 2723 N LEU B 76 10.667 8.651 5.889 1.00 0.89 N ATOM 2724 CA LEU B 76 10.384 7.817 7.066 1.00 0.97 C ATOM 2725 C LEU B 76 10.550 6.320 6.759 1.00 1.08 C ATOM 2726 O LEU B 76 11.170 5.593 7.537 1.00 1.13 O ATOM 2727 CB LEU B 76 8.953 8.102 7.551 1.00 1.02 C ATOM 2728 CG LEU B 76 8.819 9.379 8.400 1.00 1.01 C ATOM 2729 CD1 LEU B 76 7.337 9.744 8.522 1.00 1.47 C ATOM 2730 CD2 LEU B 76 9.430 9.166 9.795 1.00 1.42 C ATOM 0 H LEU B 76 9.879 9.230 5.599 1.00 0.89 H new ATOM 0 HA LEU B 76 11.102 8.069 7.846 1.00 0.97 H new ATOM 0 HB2 LEU B 76 8.297 8.184 6.684 1.00 1.02 H new ATOM 0 HB3 LEU B 76 8.603 7.251 8.136 1.00 1.02 H new ATOM 0 HG LEU B 76 9.358 10.193 7.915 1.00 1.01 H new ATOM 0 HD11 LEU B 76 7.233 10.648 9.122 1.00 1.47 H new ATOM 0 HD12 LEU B 76 6.922 9.918 7.529 1.00 1.47 H new ATOM 0 HD13 LEU B 76 6.799 8.926 9.002 1.00 1.47 H new ATOM 0 HD21 LEU B 76 9.326 10.079 10.381 1.00 1.42 H new ATOM 0 HD22 LEU B 76 8.911 8.351 10.299 1.00 1.42 H new ATOM 0 HD23 LEU B 76 10.487 8.917 9.695 1.00 1.42 H new ATOM 2742 N THR B 77 10.044 5.882 5.605 1.00 1.12 N ATOM 2743 CA THR B 77 10.168 4.513 5.071 1.00 1.20 C ATOM 2744 C THR B 77 11.632 4.119 4.953 1.00 1.30 C ATOM 2745 O THR B 77 12.074 3.129 5.531 1.00 1.48 O ATOM 2746 CB THR B 77 9.467 4.487 3.710 1.00 1.13 C ATOM 2747 OG1 THR B 77 8.104 4.683 3.984 1.00 1.14 O ATOM 2748 CG2 THR B 77 9.638 3.222 2.875 1.00 1.12 C ATOM 0 H THR B 77 9.512 6.494 4.986 1.00 1.12 H new ATOM 0 HA THR B 77 9.702 3.790 5.741 1.00 1.20 H new ATOM 0 HB THR B 77 9.927 5.259 3.094 1.00 1.13 H new ATOM 0 HG1 THR B 77 7.933 5.638 4.125 1.00 1.14 H new ATOM 0 HG21 THR B 77 9.094 3.329 1.936 1.00 1.12 H new ATOM 0 HG22 THR B 77 10.696 3.065 2.665 1.00 1.12 H new ATOM 0 HG23 THR B 77 9.246 2.367 3.426 1.00 1.12 H new ATOM 2756 N MET B 78 12.392 4.953 4.249 1.00 1.22 N ATOM 2757 CA MET B 78 13.822 4.800 4.014 1.00 1.28 C ATOM 2758 C MET B 78 14.640 4.866 5.304 1.00 1.25 C ATOM 2759 O MET B 78 15.576 4.087 5.456 1.00 1.33 O ATOM 2760 CB MET B 78 14.217 5.892 3.010 1.00 1.18 C ATOM 2761 CG MET B 78 15.687 5.881 2.620 1.00 1.34 C ATOM 2762 SD MET B 78 16.053 6.677 1.032 1.00 1.40 S ATOM 2763 CE MET B 78 15.045 8.180 1.144 1.00 1.39 C ATOM 0 H MET B 78 12.010 5.790 3.808 1.00 1.22 H new ATOM 0 HA MET B 78 14.039 3.811 3.610 1.00 1.28 H new ATOM 0 HB2 MET B 78 13.613 5.777 2.110 1.00 1.18 H new ATOM 0 HB3 MET B 78 13.973 6.866 3.435 1.00 1.18 H new ATOM 0 HG2 MET B 78 16.260 6.379 3.402 1.00 1.34 H new ATOM 0 HG3 MET B 78 16.031 4.848 2.581 1.00 1.34 H new ATOM 0 HE1 MET B 78 15.326 8.867 0.346 1.00 1.39 H new ATOM 0 HE2 MET B 78 13.991 7.920 1.044 1.00 1.39 H new ATOM 0 HE3 MET B 78 15.211 8.658 2.109 1.00 1.39 H new ATOM 2773 N LEU B 79 14.279 5.738 6.253 1.00 1.16 N ATOM 2774 CA LEU B 79 14.986 5.891 7.523 1.00 1.12 C ATOM 2775 C LEU B 79 14.756 4.706 8.454 1.00 1.29 C ATOM 2776 O LEU B 79 15.689 4.328 9.151 1.00 1.48 O ATOM 2777 CB LEU B 79 14.564 7.200 8.203 1.00 1.07 C ATOM 2778 CG LEU B 79 15.398 7.604 9.434 1.00 1.32 C ATOM 2779 CD1 LEU B 79 16.903 7.634 9.133 1.00 1.32 C ATOM 2780 CD2 LEU B 79 14.927 8.985 9.908 1.00 2.30 C ATOM 0 H LEU B 79 13.478 6.363 6.156 1.00 1.16 H new ATOM 0 HA LEU B 79 16.054 5.925 7.306 1.00 1.12 H new ATOM 0 HB2 LEU B 79 14.617 8.004 7.469 1.00 1.07 H new ATOM 0 HB3 LEU B 79 13.520 7.113 8.505 1.00 1.07 H new ATOM 0 HG LEU B 79 15.248 6.857 10.213 1.00 1.32 H new ATOM 0 HD11 LEU B 79 17.448 7.924 10.031 1.00 1.32 H new ATOM 0 HD12 LEU B 79 17.230 6.644 8.814 1.00 1.32 H new ATOM 0 HD13 LEU B 79 17.101 8.355 8.340 1.00 1.32 H new ATOM 0 HD21 LEU B 79 15.507 9.288 10.780 1.00 2.30 H new ATOM 0 HD22 LEU B 79 15.068 9.712 9.108 1.00 2.30 H new ATOM 0 HD23 LEU B 79 13.871 8.938 10.173 1.00 2.30 H new ATOM 2792 N CYS B 80 13.572 4.089 8.440 1.00 1.28 N ATOM 2793 CA CYS B 80 13.344 2.814 9.124 1.00 1.37 C ATOM 2794 C CYS B 80 14.241 1.722 8.515 1.00 1.41 C ATOM 2795 O CYS B 80 14.997 1.056 9.215 1.00 1.48 O ATOM 2796 CB CYS B 80 11.836 2.509 9.026 1.00 1.38 C ATOM 2797 SG CYS B 80 11.422 0.971 9.892 1.00 1.39 S ATOM 0 H CYS B 80 12.751 4.455 7.959 1.00 1.28 H new ATOM 0 HA CYS B 80 13.617 2.856 10.178 1.00 1.37 H new ATOM 0 HB2 CYS B 80 11.267 3.335 9.453 1.00 1.38 H new ATOM 0 HB3 CYS B 80 11.545 2.429 7.978 1.00 1.38 H new ATOM 0 HG CYS B 80 10.146 0.746 9.791 1.00 1.39 H new ATOM 2803 N MET B 81 14.198 1.592 7.187 1.00 1.45 N ATOM 2804 CA MET B 81 14.899 0.562 6.418 1.00 1.52 C ATOM 2805 C MET B 81 16.429 0.695 6.473 1.00 1.40 C ATOM 2806 O MET B 81 17.115 -0.324 6.429 1.00 1.59 O ATOM 2807 CB MET B 81 14.367 0.607 4.983 1.00 1.65 C ATOM 2808 CG MET B 81 14.330 -0.796 4.374 1.00 2.34 C ATOM 2809 SD MET B 81 14.203 -0.752 2.578 1.00 2.59 S ATOM 2810 CE MET B 81 15.966 -0.503 2.285 1.00 2.66 C ATOM 0 H MET B 81 13.655 2.223 6.597 1.00 1.45 H new ATOM 0 HA MET B 81 14.698 -0.412 6.865 1.00 1.52 H new ATOM 0 HB2 MET B 81 13.366 1.039 4.975 1.00 1.65 H new ATOM 0 HB3 MET B 81 14.999 1.255 4.376 1.00 1.65 H new ATOM 0 HG2 MET B 81 15.231 -1.339 4.660 1.00 2.34 H new ATOM 0 HG3 MET B 81 13.483 -1.346 4.784 1.00 2.34 H new ATOM 0 HE1 MET B 81 16.103 0.237 1.496 1.00 2.66 H new ATOM 0 HE2 MET B 81 16.441 -0.149 3.200 1.00 2.66 H new ATOM 0 HE3 MET B 81 16.421 -1.446 1.981 1.00 2.66 H new ATOM 2820 N ALA B 82 16.945 1.920 6.630 1.00 1.18 N ATOM 2821 CA ALA B 82 18.371 2.260 6.675 1.00 1.08 C ATOM 2822 C ALA B 82 19.181 1.324 7.582 1.00 0.96 C ATOM 2823 O ALA B 82 20.246 0.841 7.205 1.00 1.54 O ATOM 2824 CB ALA B 82 18.507 3.722 7.131 1.00 1.37 C ATOM 0 H ALA B 82 16.349 2.741 6.734 1.00 1.18 H new ATOM 0 HA ALA B 82 18.786 2.133 5.675 1.00 1.08 H new ATOM 0 HB1 ALA B 82 19.562 3.994 7.171 1.00 1.37 H new ATOM 0 HB2 ALA B 82 17.991 4.373 6.425 1.00 1.37 H new ATOM 0 HB3 ALA B 82 18.065 3.837 8.121 1.00 1.37 H new ATOM 2830 N TYR B 83 18.653 1.057 8.776 1.00 0.98 N ATOM 2831 CA TYR B 83 19.297 0.265 9.826 1.00 1.09 C ATOM 2832 C TYR B 83 18.628 -1.103 10.071 1.00 1.24 C ATOM 2833 O TYR B 83 18.860 -1.714 11.116 1.00 1.63 O ATOM 2834 CB TYR B 83 19.394 1.144 11.084 1.00 1.19 C ATOM 2835 CG TYR B 83 18.083 1.714 11.601 1.00 1.23 C ATOM 2836 CD1 TYR B 83 17.159 0.870 12.247 1.00 2.47 C ATOM 2837 CD2 TYR B 83 17.779 3.083 11.435 1.00 2.06 C ATOM 2838 CE1 TYR B 83 15.916 1.368 12.671 1.00 2.69 C ATOM 2839 CE2 TYR B 83 16.539 3.590 11.865 1.00 1.99 C ATOM 2840 CZ TYR B 83 15.595 2.730 12.471 1.00 1.53 C ATOM 2841 OH TYR B 83 14.377 3.194 12.853 1.00 1.78 O ATOM 0 H TYR B 83 17.732 1.398 9.050 1.00 0.98 H new ATOM 0 HA TYR B 83 20.300 -0.014 9.504 1.00 1.09 H new ATOM 0 HB2 TYR B 83 19.850 0.556 11.880 1.00 1.19 H new ATOM 0 HB3 TYR B 83 20.070 1.973 10.873 1.00 1.19 H new ATOM 0 HD1 TYR B 83 17.408 -0.167 12.418 1.00 2.47 H new ATOM 0 HD2 TYR B 83 18.501 3.743 10.977 1.00 2.06 H new ATOM 0 HE1 TYR B 83 15.206 0.710 13.150 1.00 2.69 H new ATOM 0 HE2 TYR B 83 16.308 4.637 11.732 1.00 1.99 H new ATOM 0 HH TYR B 83 14.312 4.150 12.648 1.00 1.78 H new ATOM 2851 N ASN B 84 17.799 -1.565 9.125 1.00 1.21 N ATOM 2852 CA ASN B 84 17.216 -2.904 9.127 1.00 1.51 C ATOM 2853 C ASN B 84 17.981 -3.824 8.162 1.00 1.77 C ATOM 2854 O ASN B 84 18.191 -3.476 6.999 1.00 2.67 O ATOM 2855 CB ASN B 84 15.735 -2.832 8.734 1.00 1.62 C ATOM 2856 CG ASN B 84 14.880 -2.113 9.767 1.00 2.08 C ATOM 2857 OD1 ASN B 84 15.231 -1.983 10.931 1.00 2.99 O ATOM 2858 ND2 ASN B 84 13.697 -1.682 9.376 1.00 2.34 N ATOM 0 H ASN B 84 17.512 -1.003 8.323 1.00 1.21 H new ATOM 0 HA ASN B 84 17.294 -3.319 10.132 1.00 1.51 H new ATOM 0 HB2 ASN B 84 15.644 -2.321 7.776 1.00 1.62 H new ATOM 0 HB3 ASN B 84 15.352 -3.843 8.594 1.00 1.62 H new ATOM 0 HD21 ASN B 84 13.069 -1.237 10.046 1.00 2.34 H new ATOM 0 HD22 ASN B 84 13.410 -1.793 8.404 1.00 2.34 H new ATOM 2865 N ASP B 85 18.386 -4.998 8.645 1.00 1.88 N ATOM 2866 CA ASP B 85 19.305 -5.900 7.931 1.00 2.34 C ATOM 2867 C ASP B 85 18.921 -7.374 8.129 1.00 2.92 C ATOM 2868 O ASP B 85 19.071 -8.162 7.211 1.00 3.48 O ATOM 2869 CB ASP B 85 20.741 -5.674 8.463 1.00 2.84 C ATOM 2870 CG ASP B 85 21.272 -4.249 8.252 1.00 3.83 C ATOM 2871 OD1 ASP B 85 20.809 -3.317 8.945 1.00 4.17 O ATOM 2872 OD2 ASP B 85 22.093 -4.022 7.339 1.00 5.04 O ATOM 0 H ASP B 85 18.086 -5.358 9.551 1.00 1.88 H new ATOM 0 HA ASP B 85 19.245 -5.676 6.866 1.00 2.34 H new ATOM 0 HB2 ASP B 85 20.762 -5.904 9.528 1.00 2.84 H new ATOM 0 HB3 ASP B 85 21.414 -6.377 7.972 1.00 2.84 H new