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 47 MET CE :methyl -162:sc= -0.0621 (180deg=-0.264) USER MOD Set 1.2: B 83 TYR OH : rot -140:sc= 0.571 USER MOD Set 2.1: B 25 SER OG : rot -179:sc= 1.41 USER MOD Set 2.2: B 28 THR OG1 : rot 136:sc= 2.23 USER MOD Set 3.1: B 15 THR OG1 : rot -83:sc= 1.29 USER MOD Set 3.2: B 72 TYR OH : rot 165:sc= 0.243 USER MOD Set 4.1: A 80 CYS SG : rot 33:sc= 0.12 USER MOD Set 4.2: A 81 MET CE :methyl -168:sc=-0.00462 (180deg=0) USER MOD Set 4.3: A 84 ASN : amide:sc= -0.155 X(o=-0.04,f=0.23) USER MOD Set 5.1: A 77 THR OG1 : rot 86:sc= 0.98 USER MOD Set 5.2: B 73 SER OG : rot -140:sc= 0 USER MOD Set 6.1: A 73 SER OG : rot 175:sc= 0.506 USER MOD Set 6.2: B 77 THR OG1 : rot 85:sc= 1.6 USER MOD Single : A 3 THR OG1 : rot 132:sc= 1.45 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.963) USER MOD Single : A 10 THR OG1 : rot 63:sc= 1.29 USER MOD Single : A 11 THR OG1 : rot 93:sc= 0.0591 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.3 USER MOD Single : A 15 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.525) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -38:sc= 0.553 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00805 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 154:sc= 1.27 USER MOD Single : A 30 SER OG : rot -148:sc= 0.928 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.937 (180deg=0.65) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.966) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 1.32 (180deg=1.1) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.571) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.25) USER MOD Single : A 50 SER OG : rot 93:sc= 1.3 USER MOD Single : A 51 SER OG : rot 180:sc= 0.00791 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.29 (180deg=0.966) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.11) USER MOD Single : A 62 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 63 SER OG : rot 91:sc= 1.08 USER MOD Single : A 65 GLN : amide:sc= -0.832 K(o=-0.83,f=-2.8) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= 0.405 (180deg=-0.213) USER MOD Single : A 72 TYR OH : rot -82:sc= 0.324 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 7:sc= 1.3 USER MOD Single : B 3 THR OG1 : rot 155:sc= 1.92 USER MOD Single : B 7 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0.0715) USER MOD Single : B 10 THR OG1 : rot 43:sc= 1.27 USER MOD Single : B 11 THR OG1 : rot 66:sc= 1.23 USER MOD Single : B 12 MET CE :methyl -149:sc= -0.18 (180deg=-0.259) USER MOD Single : B 14 THR OG1 : rot 92:sc= 1.24 USER MOD Single : B 17 HIS : no HE2:sc= 0.29 K(o=0.29,f=-3!) USER MOD Single : B 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0868) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 77:sc= 0.394 USER MOD Single : B 26 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.21) USER MOD Single : B 30 SER OG : rot 96:sc= 1.33 USER MOD Single : B 32 LYS NZ :NH3+ 152:sc= 3.33 (180deg=2.37) USER MOD Single : B 35 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.09) USER MOD Single : B 39 LYS NZ :NH3+ 151:sc= 1.1 (180deg=0.363) USER MOD Single : B 40 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.14) USER MOD Single : B 43 CYS SG : rot -148:sc= 0.838 USER MOD Single : B 48 LYS NZ :NH3+ -108:sc= 0.532 (180deg=-1.15) USER MOD Single : B 50 SER OG : rot 63:sc= 1.25 USER MOD Single : B 51 SER OG : rot 180:sc= 0.0316 USER MOD Single : B 56 MET CE :methyl -143:sc= -0.163 (180deg=-0.53) USER MOD Single : B 57 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.13) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 0.0684 K(o=0.068,f=-5.8!) USER MOD Single : B 63 SER OG : rot 75:sc= 0.782 USER MOD Single : B 65 GLN : amide:sc= 0.989 K(o=0.99,f=-4.7!) USER MOD Single : B 70 LYS NZ :NH3+ -155:sc= 0.976 (180deg=0.562) USER MOD Single : B 78 MET CE :methyl 161:sc= -0.0291 (180deg=-0.616) USER MOD Single : B 80 CYS SG : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -145:sc=-0.00926 (180deg=-1.53!) USER MOD Single : B 84 ASN : amide:sc=-0.00625 X(o=-0.0063,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 8.483 3.329 20.438 1.00 2.13 N ATOM 18 CA GLU A 2 7.966 4.311 21.389 1.00 1.67 C ATOM 19 C GLU A 2 7.301 5.481 20.663 1.00 1.48 C ATOM 20 O GLU A 2 6.195 5.886 21.026 1.00 2.29 O ATOM 21 CB GLU A 2 9.158 4.806 22.228 1.00 2.33 C ATOM 22 CG GLU A 2 9.668 3.793 23.272 1.00 3.15 C ATOM 23 CD GLU A 2 9.721 2.343 22.784 1.00 3.64 C ATOM 24 OE1 GLU A 2 10.514 2.021 21.875 1.00 4.21 O ATOM 25 OE2 GLU A 2 8.790 1.565 23.067 1.00 4.39 O ATOM 0 HA GLU A 2 7.206 3.856 22.025 1.00 1.67 H new ATOM 0 HB2 GLU A 2 9.978 5.061 21.557 1.00 2.33 H new ATOM 0 HB3 GLU A 2 8.869 5.723 22.741 1.00 2.33 H new ATOM 0 HG2 GLU A 2 10.667 4.092 23.590 1.00 3.15 H new ATOM 0 HG3 GLU A 2 9.025 3.843 24.151 1.00 3.15 H new ATOM 32 N THR A 3 7.954 5.957 19.599 1.00 0.87 N ATOM 33 CA THR A 3 7.582 7.166 18.845 1.00 1.01 C ATOM 34 C THR A 3 6.364 6.895 17.954 1.00 1.15 C ATOM 35 O THR A 3 6.264 5.784 17.430 1.00 1.24 O ATOM 36 CB THR A 3 8.761 7.745 18.036 1.00 1.15 C ATOM 37 OG1 THR A 3 8.699 7.391 16.682 1.00 1.36 O ATOM 38 CG2 THR A 3 10.132 7.315 18.569 1.00 1.47 C ATOM 0 H THR A 3 8.784 5.499 19.223 1.00 0.87 H new ATOM 0 HA THR A 3 7.309 7.930 19.573 1.00 1.01 H new ATOM 0 HB THR A 3 8.659 8.824 18.148 1.00 1.15 H new ATOM 0 HG1 THR A 3 8.835 8.188 16.129 1.00 1.36 H new ATOM 0 HG21 THR A 3 10.916 7.757 17.955 1.00 1.47 H new ATOM 0 HG22 THR A 3 10.244 7.653 19.599 1.00 1.47 H new ATOM 0 HG23 THR A 3 10.212 6.229 18.533 1.00 1.47 H new ATOM 46 N PRO A 4 5.404 7.825 17.807 1.00 1.23 N ATOM 47 CA PRO A 4 4.177 7.547 17.072 1.00 1.38 C ATOM 48 C PRO A 4 4.408 7.360 15.570 1.00 1.35 C ATOM 49 O PRO A 4 3.742 6.518 14.974 1.00 1.43 O ATOM 50 CB PRO A 4 3.233 8.714 17.379 1.00 1.59 C ATOM 51 CG PRO A 4 4.175 9.857 17.767 1.00 1.52 C ATOM 52 CD PRO A 4 5.335 9.132 18.445 1.00 1.27 C ATOM 0 HA PRO A 4 3.746 6.597 17.388 1.00 1.38 H new ATOM 0 HB2 PRO A 4 2.625 8.974 16.513 1.00 1.59 H new ATOM 0 HB3 PRO A 4 2.546 8.470 18.189 1.00 1.59 H new ATOM 0 HG2 PRO A 4 4.506 10.421 16.895 1.00 1.52 H new ATOM 0 HG3 PRO A 4 3.693 10.566 18.441 1.00 1.52 H new ATOM 0 HD2 PRO A 4 6.268 9.680 18.318 1.00 1.27 H new ATOM 0 HD3 PRO A 4 5.165 9.037 19.517 1.00 1.27 H new ATOM 60 N LEU A 5 5.370 8.054 14.950 1.00 1.27 N ATOM 61 CA LEU A 5 5.710 7.815 13.544 1.00 1.25 C ATOM 62 C LEU A 5 6.385 6.454 13.357 1.00 1.08 C ATOM 63 O LEU A 5 6.068 5.748 12.395 1.00 1.11 O ATOM 64 CB LEU A 5 6.562 8.985 13.032 1.00 1.31 C ATOM 65 CG LEU A 5 6.806 9.027 11.513 1.00 1.47 C ATOM 66 CD1 LEU A 5 5.503 8.956 10.705 1.00 1.72 C ATOM 67 CD2 LEU A 5 7.544 10.338 11.193 1.00 2.35 C ATOM 0 H LEU A 5 5.925 8.783 15.399 1.00 1.27 H new ATOM 0 HA LEU A 5 4.800 7.772 12.945 1.00 1.25 H new ATOM 0 HB2 LEU A 5 6.080 9.917 13.329 1.00 1.31 H new ATOM 0 HB3 LEU A 5 7.529 8.952 13.535 1.00 1.31 H new ATOM 0 HG LEU A 5 7.397 8.155 11.230 1.00 1.47 H new ATOM 0 HD11 LEU A 5 5.733 8.989 9.640 1.00 1.72 H new ATOM 0 HD12 LEU A 5 4.982 8.026 10.935 1.00 1.72 H new ATOM 0 HD13 LEU A 5 4.867 9.802 10.965 1.00 1.72 H new ATOM 0 HD21 LEU A 5 7.732 10.397 10.121 1.00 2.35 H new ATOM 0 HD22 LEU A 5 6.931 11.185 11.502 1.00 2.35 H new ATOM 0 HD23 LEU A 5 8.493 10.362 11.729 1.00 2.35 H new ATOM 79 N GLU A 6 7.202 6.007 14.314 1.00 0.98 N ATOM 80 CA GLU A 6 7.700 4.632 14.330 1.00 0.95 C ATOM 81 C GLU A 6 6.559 3.615 14.507 1.00 0.94 C ATOM 82 O GLU A 6 6.606 2.534 13.935 1.00 0.97 O ATOM 83 CB GLU A 6 8.815 4.473 15.382 1.00 1.13 C ATOM 84 CG GLU A 6 9.449 3.079 15.394 1.00 1.49 C ATOM 85 CD GLU A 6 9.895 2.639 13.999 1.00 3.00 C ATOM 86 OE1 GLU A 6 10.810 3.278 13.450 1.00 4.17 O ATOM 87 OE2 GLU A 6 9.280 1.673 13.488 1.00 4.05 O ATOM 0 H GLU A 6 7.533 6.581 15.090 1.00 0.98 H new ATOM 0 HA GLU A 6 8.143 4.415 13.358 1.00 0.95 H new ATOM 0 HB2 GLU A 6 9.591 5.215 15.192 1.00 1.13 H new ATOM 0 HB3 GLU A 6 8.405 4.686 16.369 1.00 1.13 H new ATOM 0 HG2 GLU A 6 10.307 3.077 16.066 1.00 1.49 H new ATOM 0 HG3 GLU A 6 8.733 2.359 15.789 1.00 1.49 H new ATOM 94 N LYS A 7 5.441 3.931 15.177 1.00 1.03 N ATOM 95 CA LYS A 7 4.262 3.045 15.096 1.00 1.23 C ATOM 96 C LYS A 7 3.748 2.859 13.660 1.00 1.14 C ATOM 97 O LYS A 7 3.275 1.775 13.328 1.00 1.18 O ATOM 98 CB LYS A 7 3.151 3.481 16.077 1.00 1.63 C ATOM 99 CG LYS A 7 3.072 2.566 17.310 1.00 1.43 C ATOM 100 CD LYS A 7 4.388 2.487 18.097 1.00 1.99 C ATOM 101 CE LYS A 7 4.771 3.822 18.731 1.00 3.48 C ATOM 102 NZ LYS A 7 4.466 3.896 20.171 1.00 4.32 N ATOM 0 H LYS A 7 5.325 4.759 15.761 1.00 1.03 H new ATOM 0 HA LYS A 7 4.594 2.057 15.414 1.00 1.23 H new ATOM 0 HB2 LYS A 7 3.335 4.506 16.399 1.00 1.63 H new ATOM 0 HB3 LYS A 7 2.191 3.476 15.561 1.00 1.63 H new ATOM 0 HG2 LYS A 7 2.283 2.926 17.971 1.00 1.43 H new ATOM 0 HG3 LYS A 7 2.787 1.563 16.991 1.00 1.43 H new ATOM 0 HD2 LYS A 7 4.296 1.731 18.877 1.00 1.99 H new ATOM 0 HD3 LYS A 7 5.187 2.162 17.431 1.00 1.99 H new ATOM 0 HE2 LYS A 7 5.837 3.993 18.584 1.00 3.48 H new ATOM 0 HE3 LYS A 7 4.245 4.625 18.214 1.00 3.48 H new ATOM 0 HZ1 LYS A 7 4.928 4.733 20.581 1.00 4.32 H new ATOM 0 HZ2 LYS A 7 3.437 3.968 20.305 1.00 4.32 H new ATOM 0 HZ3 LYS A 7 4.818 3.040 20.645 1.00 4.32 H new ATOM 116 N ALA A 8 3.899 3.862 12.787 1.00 1.10 N ATOM 117 CA ALA A 8 3.583 3.711 11.369 1.00 1.09 C ATOM 118 C ALA A 8 4.623 2.871 10.612 1.00 0.95 C ATOM 119 O ALA A 8 4.222 1.995 9.844 1.00 1.02 O ATOM 120 CB ALA A 8 3.395 5.077 10.714 1.00 1.28 C ATOM 0 H ALA A 8 4.240 4.789 13.043 1.00 1.10 H new ATOM 0 HA ALA A 8 2.644 3.161 11.309 1.00 1.09 H new ATOM 0 HB1 ALA A 8 3.160 4.945 9.658 1.00 1.28 H new ATOM 0 HB2 ALA A 8 2.578 5.606 11.204 1.00 1.28 H new ATOM 0 HB3 ALA A 8 4.313 5.657 10.812 1.00 1.28 H new ATOM 126 N LEU A 9 5.930 3.100 10.817 1.00 0.87 N ATOM 127 CA LEU A 9 6.991 2.313 10.169 1.00 0.87 C ATOM 128 C LEU A 9 6.971 0.858 10.652 1.00 0.81 C ATOM 129 O LEU A 9 6.864 -0.027 9.800 1.00 0.76 O ATOM 130 CB LEU A 9 8.386 2.955 10.352 1.00 0.91 C ATOM 131 CG LEU A 9 8.749 4.129 9.418 1.00 0.95 C ATOM 132 CD1 LEU A 9 8.576 3.778 7.930 1.00 0.99 C ATOM 133 CD2 LEU A 9 7.970 5.405 9.754 1.00 1.18 C ATOM 0 H LEU A 9 6.280 3.833 11.434 1.00 0.87 H new ATOM 0 HA LEU A 9 6.785 2.312 9.099 1.00 0.87 H new ATOM 0 HB2 LEU A 9 8.465 3.305 11.381 1.00 0.91 H new ATOM 0 HB3 LEU A 9 9.137 2.175 10.222 1.00 0.91 H new ATOM 0 HG LEU A 9 9.807 4.322 9.594 1.00 0.95 H new ATOM 0 HD11 LEU A 9 8.845 4.640 7.319 1.00 0.99 H new ATOM 0 HD12 LEU A 9 9.222 2.938 7.677 1.00 0.99 H new ATOM 0 HD13 LEU A 9 7.538 3.508 7.738 1.00 0.99 H new ATOM 0 HD21 LEU A 9 8.262 6.201 9.068 1.00 1.18 H new ATOM 0 HD22 LEU A 9 6.901 5.215 9.656 1.00 1.18 H new ATOM 0 HD23 LEU A 9 8.192 5.708 10.777 1.00 1.18 H new ATOM 145 N THR A 10 6.968 0.616 11.974 1.00 0.86 N ATOM 146 CA THR A 10 6.790 -0.707 12.598 1.00 0.86 C ATOM 147 C THR A 10 5.563 -1.419 12.041 1.00 0.82 C ATOM 148 O THR A 10 5.699 -2.562 11.604 1.00 0.83 O ATOM 149 CB THR A 10 6.721 -0.581 14.126 1.00 0.99 C ATOM 150 OG1 THR A 10 7.990 -0.239 14.630 1.00 1.15 O ATOM 151 CG2 THR A 10 6.341 -1.894 14.822 1.00 1.13 C ATOM 0 H THR A 10 7.093 1.360 12.660 1.00 0.86 H new ATOM 0 HA THR A 10 7.659 -1.318 12.352 1.00 0.86 H new ATOM 0 HB THR A 10 5.961 0.175 14.326 1.00 0.99 H new ATOM 0 HG1 THR A 10 8.253 0.640 14.286 1.00 1.15 H new ATOM 0 HG21 THR A 10 6.309 -1.738 15.900 1.00 1.13 H new ATOM 0 HG22 THR A 10 5.361 -2.220 14.474 1.00 1.13 H new ATOM 0 HG23 THR A 10 7.082 -2.658 14.587 1.00 1.13 H new ATOM 159 N THR A 11 4.383 -0.785 12.000 1.00 0.80 N ATOM 160 CA THR A 11 3.173 -1.446 11.469 1.00 0.76 C ATOM 161 C THR A 11 3.321 -1.733 9.982 1.00 0.69 C ATOM 162 O THR A 11 3.018 -2.853 9.572 1.00 0.71 O ATOM 163 CB THR A 11 1.908 -0.647 11.794 1.00 0.72 C ATOM 164 OG1 THR A 11 1.644 -0.834 13.162 1.00 0.91 O ATOM 165 CG2 THR A 11 0.653 -1.108 11.058 1.00 0.83 C ATOM 0 H THR A 11 4.236 0.172 12.322 1.00 0.80 H new ATOM 0 HA THR A 11 3.062 -2.408 11.969 1.00 0.76 H new ATOM 0 HB THR A 11 2.106 0.382 11.494 1.00 0.72 H new ATOM 0 HG1 THR A 11 2.065 -0.115 13.678 1.00 0.91 H new ATOM 0 HG21 THR A 11 -0.191 -0.484 11.352 1.00 0.83 H new ATOM 0 HG22 THR A 11 0.810 -1.023 9.983 1.00 0.83 H new ATOM 0 HG23 THR A 11 0.442 -2.147 11.313 1.00 0.83 H new ATOM 173 N MET A 12 3.850 -0.799 9.187 1.00 0.65 N ATOM 174 CA MET A 12 4.156 -1.048 7.775 1.00 0.62 C ATOM 175 C MET A 12 5.114 -2.234 7.591 1.00 0.62 C ATOM 176 O MET A 12 4.744 -3.196 6.918 1.00 0.63 O ATOM 177 CB MET A 12 4.736 0.205 7.103 1.00 0.64 C ATOM 178 CG MET A 12 3.695 1.231 6.657 1.00 0.81 C ATOM 179 SD MET A 12 4.497 2.606 5.793 1.00 1.07 S ATOM 180 CE MET A 12 3.103 3.338 4.908 1.00 0.72 C ATOM 0 H MET A 12 4.077 0.145 9.501 1.00 0.65 H new ATOM 0 HA MET A 12 3.212 -1.302 7.292 1.00 0.62 H new ATOM 0 HB2 MET A 12 5.426 0.686 7.796 1.00 0.64 H new ATOM 0 HB3 MET A 12 5.319 -0.102 6.235 1.00 0.64 H new ATOM 0 HG2 MET A 12 2.965 0.757 6.001 1.00 0.81 H new ATOM 0 HG3 MET A 12 3.149 1.606 7.523 1.00 0.81 H new ATOM 0 HE1 MET A 12 3.448 4.197 4.332 1.00 0.72 H new ATOM 0 HE2 MET A 12 2.671 2.598 4.234 1.00 0.72 H new ATOM 0 HE3 MET A 12 2.347 3.661 5.624 1.00 0.72 H new ATOM 190 N VAL A 13 6.305 -2.216 8.205 1.00 0.74 N ATOM 191 CA VAL A 13 7.308 -3.291 8.009 1.00 0.82 C ATOM 192 C VAL A 13 6.795 -4.652 8.497 1.00 0.86 C ATOM 193 O VAL A 13 7.043 -5.661 7.836 1.00 0.88 O ATOM 194 CB VAL A 13 8.706 -3.007 8.621 1.00 0.90 C ATOM 195 CG1 VAL A 13 9.372 -1.785 7.974 1.00 0.91 C ATOM 196 CG2 VAL A 13 8.729 -2.882 10.146 1.00 0.94 C ATOM 0 H VAL A 13 6.604 -1.476 8.840 1.00 0.74 H new ATOM 0 HA VAL A 13 7.449 -3.317 6.928 1.00 0.82 H new ATOM 0 HB VAL A 13 9.286 -3.900 8.389 1.00 0.90 H new ATOM 0 HG11 VAL A 13 10.348 -1.619 8.429 1.00 0.91 H new ATOM 0 HG12 VAL A 13 9.495 -1.961 6.905 1.00 0.91 H new ATOM 0 HG13 VAL A 13 8.746 -0.906 8.127 1.00 0.91 H new ATOM 0 HG21 VAL A 13 9.748 -2.684 10.480 1.00 0.94 H new ATOM 0 HG22 VAL A 13 8.081 -2.062 10.454 1.00 0.94 H new ATOM 0 HG23 VAL A 13 8.375 -3.811 10.593 1.00 0.94 H new ATOM 206 N THR A 14 6.026 -4.677 9.599 1.00 0.91 N ATOM 207 CA THR A 14 5.396 -5.898 10.132 1.00 0.99 C ATOM 208 C THR A 14 4.458 -6.501 9.094 1.00 0.98 C ATOM 209 O THR A 14 4.574 -7.689 8.783 1.00 1.12 O ATOM 210 CB THR A 14 4.642 -5.604 11.435 1.00 1.00 C ATOM 211 OG1 THR A 14 5.562 -5.111 12.374 1.00 1.23 O ATOM 212 CG2 THR A 14 4.026 -6.858 12.055 1.00 1.24 C ATOM 0 H THR A 14 5.822 -3.843 10.150 1.00 0.91 H new ATOM 0 HA THR A 14 6.182 -6.620 10.356 1.00 0.99 H new ATOM 0 HB THR A 14 3.847 -4.898 11.195 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.563 -4.131 12.348 1.00 1.23 H new ATOM 0 HG21 THR A 14 3.505 -6.591 12.974 1.00 1.24 H new ATOM 0 HG22 THR A 14 3.320 -7.301 11.353 1.00 1.24 H new ATOM 0 HG23 THR A 14 4.814 -7.577 12.280 1.00 1.24 H new ATOM 220 N THR A 15 3.562 -5.674 8.539 1.00 0.88 N ATOM 221 CA THR A 15 2.486 -6.104 7.631 1.00 0.83 C ATOM 222 C THR A 15 3.020 -6.462 6.246 1.00 0.70 C ATOM 223 O THR A 15 2.635 -7.507 5.731 1.00 0.79 O ATOM 224 CB THR A 15 1.385 -5.034 7.551 1.00 0.86 C ATOM 225 OG1 THR A 15 1.062 -4.537 8.830 1.00 1.95 O ATOM 226 CG2 THR A 15 0.099 -5.637 6.989 1.00 1.19 C ATOM 0 H THR A 15 3.563 -4.669 8.711 1.00 0.88 H new ATOM 0 HA THR A 15 2.047 -7.012 8.044 1.00 0.83 H new ATOM 0 HB THR A 15 1.768 -4.238 6.913 1.00 0.86 H new ATOM 0 HG1 THR A 15 1.746 -3.895 9.114 1.00 1.95 H new ATOM 0 HG21 THR A 15 -0.672 -4.868 6.938 1.00 1.19 H new ATOM 0 HG22 THR A 15 0.287 -6.029 5.989 1.00 1.19 H new ATOM 0 HG23 THR A 15 -0.238 -6.445 7.638 1.00 1.19 H new ATOM 234 N PHE A 16 3.931 -5.666 5.670 1.00 0.61 N ATOM 235 CA PHE A 16 4.697 -6.004 4.461 1.00 0.60 C ATOM 236 C PHE A 16 5.423 -7.344 4.619 1.00 0.63 C ATOM 237 O PHE A 16 5.302 -8.203 3.744 1.00 0.59 O ATOM 238 CB PHE A 16 5.715 -4.883 4.172 1.00 0.63 C ATOM 239 CG PHE A 16 6.702 -5.155 3.038 1.00 0.65 C ATOM 240 CD1 PHE A 16 7.942 -5.780 3.299 1.00 2.24 C ATOM 241 CD2 PHE A 16 6.416 -4.734 1.728 1.00 1.70 C ATOM 242 CE1 PHE A 16 8.861 -6.002 2.256 1.00 2.40 C ATOM 243 CE2 PHE A 16 7.357 -4.912 0.694 1.00 1.58 C ATOM 244 CZ PHE A 16 8.573 -5.572 0.947 1.00 0.88 C ATOM 0 H PHE A 16 4.162 -4.745 6.041 1.00 0.61 H new ATOM 0 HA PHE A 16 4.003 -6.097 3.626 1.00 0.60 H new ATOM 0 HB2 PHE A 16 5.166 -3.971 3.939 1.00 0.63 H new ATOM 0 HB3 PHE A 16 6.282 -4.690 5.083 1.00 0.63 H new ATOM 0 HD1 PHE A 16 8.186 -6.089 4.305 1.00 2.24 H new ATOM 0 HD2 PHE A 16 5.465 -4.269 1.511 1.00 1.70 H new ATOM 0 HE1 PHE A 16 9.794 -6.506 2.462 1.00 2.40 H new ATOM 0 HE2 PHE A 16 7.143 -4.540 -0.297 1.00 1.58 H new ATOM 0 HZ PHE A 16 9.277 -5.747 0.147 1.00 0.88 H new ATOM 254 N HIS A 17 6.156 -7.534 5.726 1.00 0.77 N ATOM 255 CA HIS A 17 6.976 -8.725 5.938 1.00 0.91 C ATOM 256 C HIS A 17 6.145 -10.009 5.766 1.00 0.96 C ATOM 257 O HIS A 17 6.562 -10.918 5.047 1.00 1.21 O ATOM 258 CB HIS A 17 7.674 -8.699 7.307 1.00 0.93 C ATOM 259 CG HIS A 17 8.313 -10.028 7.641 1.00 0.98 C ATOM 260 ND1 HIS A 17 7.906 -10.894 8.633 1.00 1.81 N ATOM 261 CD2 HIS A 17 9.285 -10.674 6.921 1.00 1.37 C ATOM 262 CE1 HIS A 17 8.616 -12.028 8.514 1.00 2.11 C ATOM 263 NE2 HIS A 17 9.448 -11.953 7.464 1.00 1.82 N ATOM 0 H HIS A 17 6.194 -6.865 6.495 1.00 0.77 H new ATOM 0 HA HIS A 17 7.754 -8.722 5.175 1.00 0.91 H new ATOM 0 HB2 HIS A 17 8.435 -7.919 7.311 1.00 0.93 H new ATOM 0 HB3 HIS A 17 6.949 -8.441 8.079 1.00 0.93 H new ATOM 0 HD2 HIS A 17 9.829 -10.267 6.082 1.00 1.37 H new ATOM 0 HE1 HIS A 17 8.529 -12.881 9.171 1.00 2.11 H new ATOM 0 HE2 HIS A 17 10.075 -12.684 7.128 1.00 1.82 H new ATOM 272 N LYS A 18 4.934 -10.073 6.326 1.00 0.94 N ATOM 273 CA LYS A 18 4.080 -11.261 6.223 1.00 1.12 C ATOM 274 C LYS A 18 3.808 -11.707 4.765 1.00 0.99 C ATOM 275 O LYS A 18 3.669 -12.907 4.520 1.00 1.37 O ATOM 276 CB LYS A 18 2.784 -11.011 7.021 1.00 1.32 C ATOM 277 CG LYS A 18 2.226 -12.256 7.729 1.00 1.88 C ATOM 278 CD LYS A 18 1.519 -13.292 6.826 1.00 2.97 C ATOM 279 CE LYS A 18 2.049 -14.742 6.913 1.00 4.62 C ATOM 280 NZ LYS A 18 3.426 -14.915 6.371 1.00 6.90 N ATOM 0 H LYS A 18 4.520 -9.309 6.860 1.00 0.94 H new ATOM 0 HA LYS A 18 4.615 -12.105 6.659 1.00 1.12 H new ATOM 0 HB2 LYS A 18 2.973 -10.238 7.766 1.00 1.32 H new ATOM 0 HB3 LYS A 18 2.024 -10.621 6.344 1.00 1.32 H new ATOM 0 HG2 LYS A 18 3.047 -12.754 8.245 1.00 1.88 H new ATOM 0 HG3 LYS A 18 1.521 -11.929 8.493 1.00 1.88 H new ATOM 0 HD2 LYS A 18 0.458 -13.299 7.076 1.00 2.97 H new ATOM 0 HD3 LYS A 18 1.600 -12.958 5.792 1.00 2.97 H new ATOM 0 HE2 LYS A 18 2.037 -15.061 7.955 1.00 4.62 H new ATOM 0 HE3 LYS A 18 1.370 -15.400 6.370 1.00 4.62 H new ATOM 0 HZ1 LYS A 18 3.553 -15.897 6.052 1.00 6.90 H new ATOM 0 HZ2 LYS A 18 3.567 -14.269 5.568 1.00 6.90 H new ATOM 0 HZ3 LYS A 18 4.121 -14.700 7.114 1.00 6.90 H new ATOM 294 N TYR A 19 3.796 -10.793 3.795 1.00 0.66 N ATOM 295 CA TYR A 19 3.621 -11.095 2.368 1.00 0.66 C ATOM 296 C TYR A 19 4.957 -11.211 1.595 1.00 0.73 C ATOM 297 O TYR A 19 4.959 -11.693 0.470 1.00 1.20 O ATOM 298 CB TYR A 19 2.669 -10.064 1.735 1.00 0.62 C ATOM 299 CG TYR A 19 1.246 -10.091 2.273 1.00 0.62 C ATOM 300 CD1 TYR A 19 0.951 -9.501 3.513 1.00 2.06 C ATOM 301 CD2 TYR A 19 0.199 -10.669 1.521 1.00 1.46 C ATOM 302 CE1 TYR A 19 -0.363 -9.477 4.011 1.00 2.11 C ATOM 303 CE2 TYR A 19 -1.127 -10.629 2.002 1.00 1.46 C ATOM 304 CZ TYR A 19 -1.419 -10.023 3.245 1.00 0.75 C ATOM 305 OH TYR A 19 -2.705 -9.932 3.686 1.00 0.87 O ATOM 0 H TYR A 19 3.910 -9.797 3.981 1.00 0.66 H new ATOM 0 HA TYR A 19 3.171 -12.085 2.293 1.00 0.66 H new ATOM 0 HB2 TYR A 19 3.082 -9.067 1.890 1.00 0.62 H new ATOM 0 HB3 TYR A 19 2.638 -10.232 0.659 1.00 0.62 H new ATOM 0 HD1 TYR A 19 1.747 -9.058 4.093 1.00 2.06 H new ATOM 0 HD2 TYR A 19 0.414 -11.143 0.575 1.00 1.46 H new ATOM 0 HE1 TYR A 19 -0.566 -9.042 4.978 1.00 2.11 H new ATOM 0 HE2 TYR A 19 -1.924 -11.064 1.417 1.00 1.46 H new ATOM 0 HH TYR A 19 -3.304 -10.358 3.038 1.00 0.87 H new ATOM 315 N SER A 20 6.096 -10.843 2.195 1.00 0.68 N ATOM 316 CA SER A 20 7.443 -11.214 1.703 1.00 0.69 C ATOM 317 C SER A 20 7.766 -12.671 2.092 1.00 0.85 C ATOM 318 O SER A 20 7.909 -13.551 1.236 1.00 1.54 O ATOM 319 CB SER A 20 8.479 -10.199 2.221 1.00 0.98 C ATOM 320 OG SER A 20 8.711 -10.283 3.620 1.00 2.14 O ATOM 0 H SER A 20 6.117 -10.275 3.042 1.00 0.68 H new ATOM 0 HA SER A 20 7.475 -11.172 0.614 1.00 0.69 H new ATOM 0 HB2 SER A 20 9.421 -10.355 1.695 1.00 0.98 H new ATOM 0 HB3 SER A 20 8.141 -9.192 1.978 1.00 0.98 H new ATOM 0 HG SER A 20 7.867 -10.472 4.081 1.00 2.14 H new ATOM 326 N GLY A 21 7.654 -12.973 3.393 1.00 0.89 N ATOM 327 CA GLY A 21 7.610 -14.300 3.999 1.00 1.38 C ATOM 328 C GLY A 21 6.251 -14.971 3.764 1.00 1.81 C ATOM 329 O GLY A 21 5.666 -15.551 4.684 1.00 2.59 O ATOM 0 H GLY A 21 7.587 -12.238 4.097 1.00 0.89 H new ATOM 0 HA2 GLY A 21 8.402 -14.921 3.580 1.00 1.38 H new ATOM 0 HA3 GLY A 21 7.799 -14.221 5.069 1.00 1.38 H new ATOM 332 N ARG A 22 5.743 -14.851 2.529 1.00 1.78 N ATOM 333 CA ARG A 22 4.706 -15.697 1.934 1.00 2.36 C ATOM 334 C ARG A 22 5.274 -17.088 1.623 1.00 2.53 C ATOM 335 O ARG A 22 4.705 -18.087 2.040 1.00 3.23 O ATOM 336 CB ARG A 22 4.097 -15.020 0.685 1.00 2.48 C ATOM 337 CG ARG A 22 5.078 -14.672 -0.456 1.00 3.05 C ATOM 338 CD ARG A 22 4.397 -13.989 -1.649 1.00 3.59 C ATOM 339 NE ARG A 22 3.308 -14.795 -2.218 1.00 3.52 N ATOM 340 CZ ARG A 22 3.362 -16.037 -2.675 1.00 3.57 C ATOM 341 NH1 ARG A 22 4.488 -16.671 -2.883 1.00 4.12 N ATOM 342 NH2 ARG A 22 2.258 -16.706 -2.895 1.00 4.08 N ATOM 0 H ARG A 22 6.062 -14.124 1.889 1.00 1.78 H new ATOM 0 HA ARG A 22 3.895 -15.826 2.651 1.00 2.36 H new ATOM 0 HB2 ARG A 22 3.325 -15.676 0.283 1.00 2.48 H new ATOM 0 HB3 ARG A 22 3.602 -14.102 1.001 1.00 2.48 H new ATOM 0 HG2 ARG A 22 5.859 -14.018 -0.068 1.00 3.05 H new ATOM 0 HG3 ARG A 22 5.566 -15.584 -0.798 1.00 3.05 H new ATOM 0 HD2 ARG A 22 4.002 -13.024 -1.333 1.00 3.59 H new ATOM 0 HD3 ARG A 22 5.140 -13.792 -2.422 1.00 3.59 H new ATOM 0 HE ARG A 22 2.396 -14.341 -2.267 1.00 3.52 H new ATOM 0 HH11 ARG A 22 5.377 -16.208 -2.692 1.00 4.12 H new ATOM 0 HH12 ARG A 22 4.477 -17.628 -3.236 1.00 4.12 H new ATOM 0 HH21 ARG A 22 1.353 -16.271 -2.714 1.00 4.08 H new ATOM 0 HH22 ARG A 22 2.303 -17.662 -3.247 1.00 4.08 H new ATOM 356 N GLU A 23 6.426 -17.103 0.945 1.00 2.31 N ATOM 357 CA GLU A 23 7.141 -18.230 0.325 1.00 2.94 C ATOM 358 C GLU A 23 8.512 -17.744 -0.201 1.00 2.82 C ATOM 359 O GLU A 23 9.480 -18.491 -0.147 1.00 3.24 O ATOM 360 CB GLU A 23 6.393 -18.839 -0.894 1.00 3.68 C ATOM 361 CG GLU A 23 4.990 -19.437 -0.688 1.00 4.44 C ATOM 362 CD GLU A 23 4.416 -20.000 -1.994 1.00 5.31 C ATOM 363 OE1 GLU A 23 4.754 -21.147 -2.348 1.00 6.08 O ATOM 364 OE2 GLU A 23 3.677 -19.231 -2.658 1.00 5.82 O ATOM 0 H GLU A 23 6.938 -16.233 0.800 1.00 2.31 H new ATOM 0 HA GLU A 23 7.230 -18.990 1.101 1.00 2.94 H new ATOM 0 HB2 GLU A 23 6.310 -18.060 -1.652 1.00 3.68 H new ATOM 0 HB3 GLU A 23 7.026 -19.622 -1.310 1.00 3.68 H new ATOM 0 HG2 GLU A 23 5.038 -20.229 0.060 1.00 4.44 H new ATOM 0 HG3 GLU A 23 4.321 -18.670 -0.297 1.00 4.44 H new ATOM 371 N GLY A 24 8.600 -16.506 -0.717 1.00 3.01 N ATOM 372 CA GLY A 24 9.717 -16.063 -1.568 1.00 3.29 C ATOM 373 C GLY A 24 11.004 -15.716 -0.818 1.00 2.78 C ATOM 374 O GLY A 24 12.014 -16.382 -1.003 1.00 3.63 O ATOM 0 H GLY A 24 7.898 -15.784 -0.555 1.00 3.01 H new ATOM 0 HA2 GLY A 24 9.936 -16.848 -2.291 1.00 3.29 H new ATOM 0 HA3 GLY A 24 9.397 -15.188 -2.134 1.00 3.29 H new ATOM 377 N SER A 25 10.994 -14.652 -0.008 1.00 2.25 N ATOM 378 CA SER A 25 12.171 -14.144 0.720 1.00 2.27 C ATOM 379 C SER A 25 11.780 -13.009 1.686 1.00 1.85 C ATOM 380 O SER A 25 10.659 -12.513 1.641 1.00 1.98 O ATOM 381 CB SER A 25 13.288 -13.691 -0.238 1.00 2.55 C ATOM 382 OG SER A 25 14.501 -13.528 0.482 1.00 3.62 O ATOM 0 H SER A 25 10.151 -14.105 0.166 1.00 2.25 H new ATOM 0 HA SER A 25 12.565 -14.972 1.310 1.00 2.27 H new ATOM 0 HB2 SER A 25 13.421 -14.427 -1.031 1.00 2.55 H new ATOM 0 HB3 SER A 25 13.010 -12.753 -0.718 1.00 2.55 H new ATOM 0 HG SER A 25 15.210 -13.241 -0.131 1.00 3.62 H new ATOM 388 N LYS A 26 12.673 -12.593 2.591 1.00 1.70 N ATOM 389 CA LYS A 26 12.316 -11.716 3.721 1.00 1.60 C ATOM 390 C LYS A 26 12.319 -10.207 3.378 1.00 1.60 C ATOM 391 O LYS A 26 11.864 -9.402 4.185 1.00 1.66 O ATOM 392 CB LYS A 26 13.251 -11.993 4.915 1.00 1.77 C ATOM 393 CG LYS A 26 13.436 -13.442 5.415 1.00 2.12 C ATOM 394 CD LYS A 26 14.220 -14.441 4.535 1.00 2.99 C ATOM 395 CE LYS A 26 15.496 -13.910 3.863 1.00 3.78 C ATOM 396 NZ LYS A 26 16.492 -13.375 4.811 1.00 3.79 N ATOM 0 H LYS A 26 13.659 -12.851 2.565 1.00 1.70 H new ATOM 0 HA LYS A 26 11.285 -11.959 3.980 1.00 1.60 H new ATOM 0 HB2 LYS A 26 14.237 -11.609 4.654 1.00 1.77 H new ATOM 0 HB3 LYS A 26 12.891 -11.401 5.756 1.00 1.77 H new ATOM 0 HG2 LYS A 26 13.933 -13.395 6.384 1.00 2.12 H new ATOM 0 HG3 LYS A 26 12.444 -13.861 5.586 1.00 2.12 H new ATOM 0 HD2 LYS A 26 14.491 -15.298 5.151 1.00 2.99 H new ATOM 0 HD3 LYS A 26 13.551 -14.807 3.756 1.00 2.99 H new ATOM 0 HE2 LYS A 26 15.953 -14.714 3.286 1.00 3.78 H new ATOM 0 HE3 LYS A 26 15.224 -13.126 3.156 1.00 3.78 H new ATOM 0 HZ1 LYS A 26 17.324 -13.036 4.286 1.00 3.79 H new ATOM 0 HZ2 LYS A 26 16.074 -12.586 5.345 1.00 3.79 H new ATOM 0 HZ3 LYS A 26 16.781 -14.125 5.471 1.00 3.79 H new ATOM 410 N LEU A 27 12.853 -9.835 2.203 1.00 1.71 N ATOM 411 CA LEU A 27 13.113 -8.449 1.775 1.00 1.87 C ATOM 412 C LEU A 27 12.150 -7.906 0.705 1.00 1.48 C ATOM 413 O LEU A 27 11.922 -6.697 0.660 1.00 1.47 O ATOM 414 CB LEU A 27 14.587 -8.324 1.314 1.00 2.45 C ATOM 415 CG LEU A 27 14.958 -8.877 -0.083 1.00 3.89 C ATOM 416 CD1 LEU A 27 16.415 -8.553 -0.422 1.00 4.52 C ATOM 417 CD2 LEU A 27 14.770 -10.391 -0.191 1.00 5.59 C ATOM 0 H LEU A 27 13.127 -10.518 1.497 1.00 1.71 H new ATOM 0 HA LEU A 27 12.928 -7.820 2.646 1.00 1.87 H new ATOM 0 HB2 LEU A 27 14.857 -7.268 1.338 1.00 2.45 H new ATOM 0 HB3 LEU A 27 15.212 -8.829 2.050 1.00 2.45 H new ATOM 0 HG LEU A 27 14.280 -8.393 -0.786 1.00 3.89 H new ATOM 0 HD11 LEU A 27 16.656 -8.950 -1.408 1.00 4.52 H new ATOM 0 HD12 LEU A 27 16.557 -7.472 -0.422 1.00 4.52 H new ATOM 0 HD13 LEU A 27 17.071 -9.005 0.322 1.00 4.52 H new ATOM 0 HD21 LEU A 27 15.046 -10.721 -1.192 1.00 5.59 H new ATOM 0 HD22 LEU A 27 15.403 -10.890 0.543 1.00 5.59 H new ATOM 0 HD23 LEU A 27 13.727 -10.643 -0.000 1.00 5.59 H new ATOM 429 N THR A 28 11.602 -8.780 -0.147 1.00 1.27 N ATOM 430 CA THR A 28 10.848 -8.439 -1.361 1.00 1.06 C ATOM 431 C THR A 28 9.655 -9.375 -1.549 1.00 1.03 C ATOM 432 O THR A 28 9.516 -10.387 -0.867 1.00 1.16 O ATOM 433 CB THR A 28 11.743 -8.493 -2.614 1.00 0.96 C ATOM 434 OG1 THR A 28 12.518 -9.675 -2.622 1.00 1.05 O ATOM 435 CG2 THR A 28 12.668 -7.286 -2.785 1.00 0.92 C ATOM 0 H THR A 28 11.674 -9.787 -0.004 1.00 1.27 H new ATOM 0 HA THR A 28 10.485 -7.419 -1.234 1.00 1.06 H new ATOM 0 HB THR A 28 11.051 -8.478 -3.456 1.00 0.96 H new ATOM 0 HG1 THR A 28 12.741 -9.914 -3.546 1.00 1.05 H new ATOM 0 HG21 THR A 28 13.261 -7.408 -3.691 1.00 0.92 H new ATOM 0 HG22 THR A 28 12.070 -6.378 -2.861 1.00 0.92 H new ATOM 0 HG23 THR A 28 13.332 -7.212 -1.924 1.00 0.92 H new ATOM 443 N LEU A 29 8.785 -9.025 -2.498 1.00 0.89 N ATOM 444 CA LEU A 29 7.599 -9.770 -2.943 1.00 0.76 C ATOM 445 C LEU A 29 7.133 -9.243 -4.302 1.00 0.64 C ATOM 446 O LEU A 29 7.489 -8.131 -4.674 1.00 0.70 O ATOM 447 CB LEU A 29 6.458 -9.693 -1.899 1.00 0.77 C ATOM 448 CG LEU A 29 5.652 -8.374 -1.847 1.00 0.78 C ATOM 449 CD1 LEU A 29 4.494 -8.524 -0.857 1.00 0.81 C ATOM 450 CD2 LEU A 29 6.496 -7.178 -1.401 1.00 1.08 C ATOM 0 H LEU A 29 8.896 -8.152 -3.014 1.00 0.89 H new ATOM 0 HA LEU A 29 7.872 -10.820 -3.047 1.00 0.76 H new ATOM 0 HB2 LEU A 29 5.763 -10.509 -2.094 1.00 0.77 H new ATOM 0 HB3 LEU A 29 6.887 -9.869 -0.912 1.00 0.77 H new ATOM 0 HG LEU A 29 5.298 -8.184 -2.860 1.00 0.78 H new ATOM 0 HD11 LEU A 29 3.925 -7.595 -0.819 1.00 0.81 H new ATOM 0 HD12 LEU A 29 3.842 -9.336 -1.180 1.00 0.81 H new ATOM 0 HD13 LEU A 29 4.889 -8.748 0.134 1.00 0.81 H new ATOM 0 HD21 LEU A 29 5.876 -6.281 -1.384 1.00 1.08 H new ATOM 0 HD22 LEU A 29 6.892 -7.364 -0.403 1.00 1.08 H new ATOM 0 HD23 LEU A 29 7.322 -7.035 -2.098 1.00 1.08 H new ATOM 462 N SER A 30 6.269 -9.981 -5.005 1.00 0.62 N ATOM 463 CA SER A 30 5.651 -9.483 -6.239 1.00 0.66 C ATOM 464 C SER A 30 4.721 -8.279 -6.002 1.00 0.87 C ATOM 465 O SER A 30 3.851 -8.297 -5.120 1.00 0.80 O ATOM 466 CB SER A 30 4.797 -10.541 -6.954 1.00 0.96 C ATOM 467 OG SER A 30 5.456 -11.766 -7.209 1.00 1.76 O ATOM 0 H SER A 30 5.982 -10.924 -4.742 1.00 0.62 H new ATOM 0 HA SER A 30 6.506 -9.198 -6.852 1.00 0.66 H new ATOM 0 HB2 SER A 30 3.912 -10.740 -6.350 1.00 0.96 H new ATOM 0 HB3 SER A 30 4.451 -10.128 -7.901 1.00 0.96 H new ATOM 0 HG SER A 30 5.106 -12.160 -8.035 1.00 1.76 H new ATOM 473 N ARG A 31 4.792 -7.293 -6.898 1.00 1.21 N ATOM 474 CA ARG A 31 3.862 -6.158 -7.056 1.00 1.35 C ATOM 475 C ARG A 31 2.360 -6.545 -7.074 1.00 1.31 C ATOM 476 O ARG A 31 1.486 -5.755 -6.715 1.00 1.35 O ATOM 477 CB ARG A 31 4.345 -5.441 -8.334 1.00 1.66 C ATOM 478 CG ARG A 31 3.430 -4.385 -8.958 1.00 2.15 C ATOM 479 CD ARG A 31 4.316 -3.482 -9.831 1.00 1.90 C ATOM 480 NE ARG A 31 3.565 -2.463 -10.585 1.00 2.51 N ATOM 481 CZ ARG A 31 3.916 -1.189 -10.753 1.00 2.92 C ATOM 482 NH1 ARG A 31 4.955 -0.640 -10.157 1.00 3.01 N ATOM 483 NH2 ARG A 31 3.211 -0.428 -11.554 1.00 3.91 N ATOM 0 H ARG A 31 5.549 -7.258 -7.581 1.00 1.21 H new ATOM 0 HA ARG A 31 3.892 -5.501 -6.187 1.00 1.35 H new ATOM 0 HB2 ARG A 31 5.299 -4.964 -8.108 1.00 1.66 H new ATOM 0 HB3 ARG A 31 4.540 -6.202 -9.090 1.00 1.66 H new ATOM 0 HG2 ARG A 31 2.650 -4.856 -9.557 1.00 2.15 H new ATOM 0 HG3 ARG A 31 2.930 -3.803 -8.184 1.00 2.15 H new ATOM 0 HD2 ARG A 31 5.049 -2.984 -9.196 1.00 1.90 H new ATOM 0 HD3 ARG A 31 4.872 -4.103 -10.533 1.00 1.90 H new ATOM 0 HE ARG A 31 2.692 -2.762 -11.020 1.00 2.51 H new ATOM 0 HH11 ARG A 31 5.536 -1.197 -9.530 1.00 3.01 H new ATOM 0 HH12 ARG A 31 5.178 0.342 -10.322 1.00 3.01 H new ATOM 0 HH21 ARG A 31 2.402 -0.813 -12.042 1.00 3.91 H new ATOM 0 HH22 ARG A 31 3.471 0.549 -11.690 1.00 3.91 H new ATOM 497 N LYS A 32 2.031 -7.783 -7.431 1.00 1.30 N ATOM 498 CA LYS A 32 0.688 -8.371 -7.436 1.00 1.29 C ATOM 499 C LYS A 32 0.249 -8.895 -6.055 1.00 0.91 C ATOM 500 O LYS A 32 -0.940 -8.852 -5.753 1.00 0.84 O ATOM 501 CB LYS A 32 0.701 -9.411 -8.568 1.00 1.59 C ATOM 502 CG LYS A 32 -0.523 -10.319 -8.767 1.00 1.63 C ATOM 503 CD LYS A 32 -0.583 -11.572 -7.877 1.00 2.65 C ATOM 504 CE LYS A 32 0.741 -12.341 -7.727 1.00 4.26 C ATOM 505 NZ LYS A 32 1.332 -12.762 -9.021 1.00 4.86 N ATOM 0 H LYS A 32 2.738 -8.448 -7.745 1.00 1.30 H new ATOM 0 HA LYS A 32 -0.084 -7.628 -7.633 1.00 1.29 H new ATOM 0 HB2 LYS A 32 0.868 -8.876 -9.503 1.00 1.59 H new ATOM 0 HB3 LYS A 32 1.566 -10.056 -8.411 1.00 1.59 H new ATOM 0 HG2 LYS A 32 -1.422 -9.728 -8.590 1.00 1.63 H new ATOM 0 HG3 LYS A 32 -0.550 -10.636 -9.810 1.00 1.63 H new ATOM 0 HD2 LYS A 32 -0.926 -11.276 -6.885 1.00 2.65 H new ATOM 0 HD3 LYS A 32 -1.333 -12.250 -8.284 1.00 2.65 H new ATOM 0 HE2 LYS A 32 1.458 -11.714 -7.196 1.00 4.26 H new ATOM 0 HE3 LYS A 32 0.571 -13.223 -7.110 1.00 4.26 H new ATOM 0 HZ1 LYS A 32 2.362 -12.862 -8.916 1.00 4.86 H new ATOM 0 HZ2 LYS A 32 0.923 -13.674 -9.309 1.00 4.86 H new ATOM 0 HZ3 LYS A 32 1.126 -12.046 -9.746 1.00 4.86 H new ATOM 519 N GLU A 33 1.187 -9.271 -5.182 1.00 0.87 N ATOM 520 CA GLU A 33 0.904 -9.621 -3.784 1.00 0.75 C ATOM 521 C GLU A 33 0.685 -8.360 -2.931 1.00 0.75 C ATOM 522 O GLU A 33 -0.193 -8.351 -2.071 1.00 0.75 O ATOM 523 CB GLU A 33 2.037 -10.483 -3.207 1.00 0.77 C ATOM 524 CG GLU A 33 2.287 -11.784 -3.985 1.00 1.71 C ATOM 525 CD GLU A 33 1.083 -12.723 -3.957 1.00 1.97 C ATOM 526 OE1 GLU A 33 1.036 -13.560 -3.025 1.00 2.19 O ATOM 527 OE2 GLU A 33 0.251 -12.603 -4.881 1.00 3.31 O ATOM 0 H GLU A 33 2.175 -9.342 -5.426 1.00 0.87 H new ATOM 0 HA GLU A 33 -0.018 -10.202 -3.759 1.00 0.75 H new ATOM 0 HB2 GLU A 33 2.956 -9.897 -3.194 1.00 0.77 H new ATOM 0 HB3 GLU A 33 1.802 -10.730 -2.172 1.00 0.77 H new ATOM 0 HG2 GLU A 33 2.532 -11.543 -5.020 1.00 1.71 H new ATOM 0 HG3 GLU A 33 3.152 -12.295 -3.563 1.00 1.71 H new ATOM 534 N LEU A 34 1.389 -7.253 -3.225 1.00 0.80 N ATOM 535 CA LEU A 34 1.077 -5.912 -2.689 1.00 0.83 C ATOM 536 C LEU A 34 -0.410 -5.580 -2.881 1.00 0.82 C ATOM 537 O LEU A 34 -1.111 -5.237 -1.930 1.00 0.85 O ATOM 538 CB LEU A 34 1.985 -4.870 -3.390 1.00 0.91 C ATOM 539 CG LEU A 34 1.582 -3.385 -3.216 1.00 1.04 C ATOM 540 CD1 LEU A 34 1.896 -2.907 -1.799 1.00 1.34 C ATOM 541 CD2 LEU A 34 2.298 -2.472 -4.222 1.00 1.20 C ATOM 0 H LEU A 34 2.198 -7.262 -3.846 1.00 0.80 H new ATOM 0 HA LEU A 34 1.272 -5.890 -1.617 1.00 0.83 H new ATOM 0 HB2 LEU A 34 3.001 -4.995 -3.017 1.00 0.91 H new ATOM 0 HB3 LEU A 34 2.007 -5.096 -4.456 1.00 0.91 H new ATOM 0 HG LEU A 34 0.509 -3.326 -3.400 1.00 1.04 H new ATOM 0 HD11 LEU A 34 1.606 -1.861 -1.695 1.00 1.34 H new ATOM 0 HD12 LEU A 34 1.342 -3.510 -1.080 1.00 1.34 H new ATOM 0 HD13 LEU A 34 2.965 -3.008 -1.609 1.00 1.34 H new ATOM 0 HD21 LEU A 34 1.985 -1.440 -4.063 1.00 1.20 H new ATOM 0 HD22 LEU A 34 3.376 -2.550 -4.081 1.00 1.20 H new ATOM 0 HD23 LEU A 34 2.042 -2.777 -5.237 1.00 1.20 H new ATOM 553 N LYS A 35 -0.906 -5.721 -4.115 1.00 0.86 N ATOM 554 CA LYS A 35 -2.316 -5.494 -4.458 1.00 0.87 C ATOM 555 C LYS A 35 -3.273 -6.360 -3.626 1.00 0.79 C ATOM 556 O LYS A 35 -4.382 -5.933 -3.307 1.00 0.88 O ATOM 557 CB LYS A 35 -2.481 -5.773 -5.969 1.00 0.95 C ATOM 558 CG LYS A 35 -3.851 -5.359 -6.531 1.00 1.50 C ATOM 559 CD LYS A 35 -4.741 -6.521 -7.006 1.00 1.53 C ATOM 560 CE LYS A 35 -5.124 -7.463 -5.860 1.00 2.82 C ATOM 561 NZ LYS A 35 -6.046 -8.549 -6.267 1.00 3.76 N ATOM 0 H LYS A 35 -0.334 -5.999 -4.913 1.00 0.86 H new ATOM 0 HA LYS A 35 -2.580 -4.462 -4.226 1.00 0.87 H new ATOM 0 HB2 LYS A 35 -1.700 -5.243 -6.514 1.00 0.95 H new ATOM 0 HB3 LYS A 35 -2.331 -6.837 -6.151 1.00 0.95 H new ATOM 0 HG2 LYS A 35 -4.388 -4.801 -5.763 1.00 1.50 H new ATOM 0 HG3 LYS A 35 -3.692 -4.678 -7.367 1.00 1.50 H new ATOM 0 HD2 LYS A 35 -5.646 -6.120 -7.462 1.00 1.53 H new ATOM 0 HD3 LYS A 35 -4.218 -7.085 -7.778 1.00 1.53 H new ATOM 0 HE2 LYS A 35 -4.218 -7.904 -5.445 1.00 2.82 H new ATOM 0 HE3 LYS A 35 -5.589 -6.882 -5.064 1.00 2.82 H new ATOM 0 HZ1 LYS A 35 -5.845 -9.403 -5.709 1.00 3.76 H new ATOM 0 HZ2 LYS A 35 -7.028 -8.251 -6.101 1.00 3.76 H new ATOM 0 HZ3 LYS A 35 -5.913 -8.757 -7.277 1.00 3.76 H new ATOM 575 N GLU A 36 -2.858 -7.587 -3.303 1.00 0.70 N ATOM 576 CA GLU A 36 -3.656 -8.595 -2.612 1.00 0.69 C ATOM 577 C GLU A 36 -3.746 -8.322 -1.102 1.00 0.80 C ATOM 578 O GLU A 36 -4.833 -8.423 -0.540 1.00 1.05 O ATOM 579 CB GLU A 36 -3.049 -9.968 -2.942 1.00 0.78 C ATOM 580 CG GLU A 36 -3.982 -11.142 -2.654 1.00 1.09 C ATOM 581 CD GLU A 36 -5.302 -11.098 -3.432 1.00 1.49 C ATOM 582 OE1 GLU A 36 -5.396 -10.402 -4.468 1.00 2.47 O ATOM 583 OE2 GLU A 36 -6.240 -11.789 -2.980 1.00 2.45 O ATOM 0 H GLU A 36 -1.919 -7.916 -3.526 1.00 0.70 H new ATOM 0 HA GLU A 36 -4.690 -8.566 -2.956 1.00 0.69 H new ATOM 0 HB2 GLU A 36 -2.771 -9.988 -3.996 1.00 0.78 H new ATOM 0 HB3 GLU A 36 -2.132 -10.096 -2.368 1.00 0.78 H new ATOM 0 HG2 GLU A 36 -3.464 -12.071 -2.891 1.00 1.09 H new ATOM 0 HG3 GLU A 36 -4.202 -11.164 -1.587 1.00 1.09 H new ATOM 590 N LEU A 37 -2.641 -7.887 -0.482 1.00 0.76 N ATOM 591 CA LEU A 37 -2.591 -7.291 0.860 1.00 0.88 C ATOM 592 C LEU A 37 -3.576 -6.110 0.984 1.00 0.94 C ATOM 593 O LEU A 37 -4.377 -6.053 1.918 1.00 1.04 O ATOM 594 CB LEU A 37 -1.103 -6.931 1.125 1.00 0.95 C ATOM 595 CG LEU A 37 -0.771 -5.872 2.196 1.00 1.11 C ATOM 596 CD1 LEU A 37 -1.345 -6.160 3.584 1.00 1.64 C ATOM 597 CD2 LEU A 37 0.756 -5.731 2.339 1.00 1.43 C ATOM 0 H LEU A 37 -1.721 -7.943 -0.919 1.00 0.76 H new ATOM 0 HA LEU A 37 -2.924 -7.982 1.634 1.00 0.88 H new ATOM 0 HB2 LEU A 37 -0.585 -7.850 1.399 1.00 0.95 H new ATOM 0 HB3 LEU A 37 -0.673 -6.592 0.182 1.00 0.95 H new ATOM 0 HG LEU A 37 -1.240 -4.955 1.838 1.00 1.11 H new ATOM 0 HD11 LEU A 37 -1.059 -5.362 4.269 1.00 1.64 H new ATOM 0 HD12 LEU A 37 -2.432 -6.215 3.524 1.00 1.64 H new ATOM 0 HD13 LEU A 37 -0.953 -7.109 3.950 1.00 1.64 H new ATOM 0 HD21 LEU A 37 0.983 -4.981 3.097 1.00 1.43 H new ATOM 0 HD22 LEU A 37 1.184 -6.689 2.636 1.00 1.43 H new ATOM 0 HD23 LEU A 37 1.184 -5.423 1.385 1.00 1.43 H new ATOM 609 N ILE A 38 -3.545 -5.205 0.003 1.00 0.91 N ATOM 610 CA ILE A 38 -4.388 -3.991 -0.111 1.00 1.01 C ATOM 611 C ILE A 38 -5.884 -4.275 -0.296 1.00 1.10 C ATOM 612 O ILE A 38 -6.702 -3.385 -0.112 1.00 1.43 O ATOM 613 CB ILE A 38 -3.811 -3.105 -1.241 1.00 0.95 C ATOM 614 CG1 ILE A 38 -2.482 -2.507 -0.740 1.00 1.04 C ATOM 615 CG2 ILE A 38 -4.742 -1.979 -1.738 1.00 1.24 C ATOM 616 CD1 ILE A 38 -1.670 -1.921 -1.887 1.00 1.01 C ATOM 0 H ILE A 38 -2.899 -5.296 -0.781 1.00 0.91 H new ATOM 0 HA ILE A 38 -4.347 -3.461 0.840 1.00 1.01 H new ATOM 0 HB ILE A 38 -3.676 -3.750 -2.109 1.00 0.95 H new ATOM 0 HG12 ILE A 38 -2.686 -1.731 -0.002 1.00 1.04 H new ATOM 0 HG13 ILE A 38 -1.900 -3.280 -0.237 1.00 1.04 H new ATOM 0 HG21 ILE A 38 -4.244 -1.418 -2.529 1.00 1.24 H new ATOM 0 HG22 ILE A 38 -5.663 -2.413 -2.126 1.00 1.24 H new ATOM 0 HG23 ILE A 38 -4.977 -1.310 -0.911 1.00 1.24 H new ATOM 0 HD11 ILE A 38 -0.739 -1.508 -1.500 1.00 1.01 H new ATOM 0 HD12 ILE A 38 -1.446 -2.704 -2.611 1.00 1.01 H new ATOM 0 HD13 ILE A 38 -2.243 -1.131 -2.372 1.00 1.01 H new ATOM 628 N LYS A 39 -6.270 -5.492 -0.660 1.00 1.04 N ATOM 629 CA LYS A 39 -7.668 -5.933 -0.634 1.00 1.13 C ATOM 630 C LYS A 39 -8.020 -6.969 0.459 1.00 1.20 C ATOM 631 O LYS A 39 -9.143 -7.486 0.446 1.00 1.51 O ATOM 632 CB LYS A 39 -8.042 -6.378 -2.062 1.00 1.12 C ATOM 633 CG LYS A 39 -8.681 -5.270 -2.922 1.00 1.24 C ATOM 634 CD LYS A 39 -9.923 -4.561 -2.336 1.00 1.93 C ATOM 635 CE LYS A 39 -11.011 -5.516 -1.818 1.00 2.99 C ATOM 636 NZ LYS A 39 -12.206 -4.784 -1.317 1.00 3.62 N ATOM 0 H LYS A 39 -5.621 -6.209 -0.984 1.00 1.04 H new ATOM 0 HA LYS A 39 -8.288 -5.090 -0.330 1.00 1.13 H new ATOM 0 HB2 LYS A 39 -7.145 -6.740 -2.564 1.00 1.12 H new ATOM 0 HB3 LYS A 39 -8.734 -7.218 -1.999 1.00 1.12 H new ATOM 0 HG2 LYS A 39 -7.921 -4.514 -3.121 1.00 1.24 H new ATOM 0 HG3 LYS A 39 -8.959 -5.704 -3.883 1.00 1.24 H new ATOM 0 HD2 LYS A 39 -9.605 -3.913 -1.519 1.00 1.93 H new ATOM 0 HD3 LYS A 39 -10.355 -3.918 -3.103 1.00 1.93 H new ATOM 0 HE2 LYS A 39 -11.310 -6.192 -2.619 1.00 2.99 H new ATOM 0 HE3 LYS A 39 -10.601 -6.131 -1.017 1.00 2.99 H new ATOM 0 HZ1 LYS A 39 -12.779 -5.419 -0.725 1.00 3.62 H new ATOM 0 HZ2 LYS A 39 -11.900 -3.966 -0.752 1.00 3.62 H new ATOM 0 HZ3 LYS A 39 -12.775 -4.455 -2.123 1.00 3.62 H new ATOM 650 N LYS A 40 -7.106 -7.303 1.378 1.00 1.05 N ATOM 651 CA LYS A 40 -7.331 -8.319 2.428 1.00 1.20 C ATOM 652 C LYS A 40 -7.098 -7.841 3.860 1.00 1.35 C ATOM 653 O LYS A 40 -7.917 -8.153 4.722 1.00 1.58 O ATOM 654 CB LYS A 40 -6.476 -9.541 2.141 1.00 1.39 C ATOM 655 CG LYS A 40 -7.218 -10.375 1.096 1.00 1.76 C ATOM 656 CD LYS A 40 -6.341 -11.558 0.761 1.00 1.55 C ATOM 657 CE LYS A 40 -7.154 -12.549 -0.085 1.00 1.99 C ATOM 658 NZ LYS A 40 -6.299 -13.440 -0.899 1.00 2.76 N ATOM 0 H LYS A 40 -6.181 -6.876 1.419 1.00 1.05 H new ATOM 0 HA LYS A 40 -8.393 -8.558 2.381 1.00 1.20 H new ATOM 0 HB2 LYS A 40 -5.494 -9.246 1.771 1.00 1.39 H new ATOM 0 HB3 LYS A 40 -6.313 -10.119 3.050 1.00 1.39 H new ATOM 0 HG2 LYS A 40 -8.181 -10.708 1.483 1.00 1.76 H new ATOM 0 HG3 LYS A 40 -7.421 -9.782 0.204 1.00 1.76 H new ATOM 0 HD2 LYS A 40 -5.457 -11.230 0.214 1.00 1.55 H new ATOM 0 HD3 LYS A 40 -5.990 -12.039 1.674 1.00 1.55 H new ATOM 0 HE2 LYS A 40 -7.780 -13.153 0.572 1.00 1.99 H new ATOM 0 HE3 LYS A 40 -7.824 -11.995 -0.742 1.00 1.99 H new ATOM 0 HZ1 LYS A 40 -6.799 -14.334 -1.077 1.00 2.76 H new ATOM 0 HZ2 LYS A 40 -6.081 -12.979 -1.805 1.00 2.76 H new ATOM 0 HZ3 LYS A 40 -5.414 -13.634 -0.388 1.00 2.76 H new ATOM 672 N GLU A 41 -6.011 -7.109 4.113 1.00 1.33 N ATOM 673 CA GLU A 41 -5.940 -6.286 5.333 1.00 1.43 C ATOM 674 C GLU A 41 -6.763 -5.010 5.144 1.00 1.65 C ATOM 675 O GLU A 41 -7.556 -4.651 6.012 1.00 2.26 O ATOM 676 CB GLU A 41 -4.485 -6.009 5.779 1.00 1.46 C ATOM 677 CG GLU A 41 -3.865 -4.636 5.453 1.00 2.25 C ATOM 678 CD GLU A 41 -4.409 -3.497 6.326 1.00 3.91 C ATOM 679 OE1 GLU A 41 -4.234 -3.565 7.558 1.00 4.60 O ATOM 680 OE2 GLU A 41 -4.946 -2.498 5.803 1.00 5.20 O ATOM 0 H GLU A 41 -5.188 -7.065 3.512 1.00 1.33 H new ATOM 0 HA GLU A 41 -6.380 -6.850 6.156 1.00 1.43 H new ATOM 0 HB2 GLU A 41 -4.438 -6.146 6.859 1.00 1.46 H new ATOM 0 HB3 GLU A 41 -3.850 -6.774 5.332 1.00 1.46 H new ATOM 0 HG2 GLU A 41 -2.784 -4.695 5.579 1.00 2.25 H new ATOM 0 HG3 GLU A 41 -4.052 -4.401 4.405 1.00 2.25 H new ATOM 687 N LEU A 42 -6.593 -4.352 3.990 1.00 1.34 N ATOM 688 CA LEU A 42 -7.225 -3.093 3.663 1.00 1.30 C ATOM 689 C LEU A 42 -8.483 -3.426 2.866 1.00 1.37 C ATOM 690 O LEU A 42 -8.529 -4.343 2.048 1.00 1.80 O ATOM 691 CB LEU A 42 -6.220 -2.151 2.954 1.00 1.36 C ATOM 692 CG LEU A 42 -6.268 -0.665 3.370 1.00 1.37 C ATOM 693 CD1 LEU A 42 -5.094 0.083 2.713 1.00 1.98 C ATOM 694 CD2 LEU A 42 -7.582 0.025 2.971 1.00 2.29 C ATOM 0 H LEU A 42 -5.992 -4.702 3.244 1.00 1.34 H new ATOM 0 HA LEU A 42 -7.531 -2.530 4.545 1.00 1.30 H new ATOM 0 HB2 LEU A 42 -5.213 -2.525 3.136 1.00 1.36 H new ATOM 0 HB3 LEU A 42 -6.393 -2.212 1.880 1.00 1.36 H new ATOM 0 HG LEU A 42 -6.198 -0.634 4.457 1.00 1.37 H new ATOM 0 HD11 LEU A 42 -5.123 1.133 3.004 1.00 1.98 H new ATOM 0 HD12 LEU A 42 -4.153 -0.358 3.041 1.00 1.98 H new ATOM 0 HD13 LEU A 42 -5.174 0.004 1.629 1.00 1.98 H new ATOM 0 HD21 LEU A 42 -7.557 1.067 3.290 1.00 2.29 H new ATOM 0 HD22 LEU A 42 -7.703 -0.021 1.889 1.00 2.29 H new ATOM 0 HD23 LEU A 42 -8.419 -0.481 3.451 1.00 2.29 H new ATOM 706 N CYS A 43 -9.545 -2.705 3.191 1.00 1.36 N ATOM 707 CA CYS A 43 -10.852 -2.906 2.569 1.00 1.55 C ATOM 708 C CYS A 43 -10.965 -2.138 1.246 1.00 2.20 C ATOM 709 O CYS A 43 -11.305 -2.742 0.237 1.00 3.70 O ATOM 710 CB CYS A 43 -11.932 -2.534 3.592 1.00 1.87 C ATOM 711 SG CYS A 43 -13.562 -3.038 2.966 1.00 2.58 S ATOM 0 H CYS A 43 -9.529 -1.964 3.892 1.00 1.36 H new ATOM 0 HA CYS A 43 -10.990 -3.952 2.296 1.00 1.55 H new ATOM 0 HB2 CYS A 43 -11.729 -3.024 4.544 1.00 1.87 H new ATOM 0 HB3 CYS A 43 -11.918 -1.460 3.777 1.00 1.87 H new ATOM 0 HG CYS A 43 -14.477 -2.724 3.835 1.00 2.58 H new ATOM 774 N LYS A 48 -14.695 4.043 -1.159 1.00 2.45 N ATOM 775 CA LYS A 48 -14.011 5.159 -1.836 1.00 2.47 C ATOM 776 C LYS A 48 -13.884 5.024 -3.365 1.00 2.41 C ATOM 777 O LYS A 48 -13.795 6.040 -4.046 1.00 3.37 O ATOM 778 CB LYS A 48 -12.639 5.306 -1.166 1.00 2.85 C ATOM 779 CG LYS A 48 -12.782 5.891 0.244 1.00 4.00 C ATOM 780 CD LYS A 48 -13.450 7.281 0.390 1.00 4.36 C ATOM 781 CE LYS A 48 -13.111 8.317 -0.706 1.00 4.55 C ATOM 782 NZ LYS A 48 -13.015 9.700 -0.167 1.00 5.73 N ATOM 0 HA LYS A 48 -14.623 6.053 -1.721 1.00 2.47 H new ATOM 0 HB2 LYS A 48 -12.149 4.334 -1.113 1.00 2.85 H new ATOM 0 HB3 LYS A 48 -12.002 5.952 -1.770 1.00 2.85 H new ATOM 0 HG2 LYS A 48 -13.352 5.182 0.844 1.00 4.00 H new ATOM 0 HG3 LYS A 48 -11.786 5.951 0.683 1.00 4.00 H new ATOM 0 HD2 LYS A 48 -14.531 7.142 0.408 1.00 4.36 H new ATOM 0 HD3 LYS A 48 -13.166 7.698 1.356 1.00 4.36 H new ATOM 0 HE2 LYS A 48 -12.166 8.047 -1.178 1.00 4.55 H new ATOM 0 HE3 LYS A 48 -13.876 8.284 -1.482 1.00 4.55 H new ATOM 0 HZ1 LYS A 48 -12.753 10.353 -0.932 1.00 5.73 H new ATOM 0 HZ2 LYS A 48 -13.934 9.982 0.230 1.00 5.73 H new ATOM 0 HZ3 LYS A 48 -12.291 9.732 0.579 1.00 5.73 H new ATOM 796 N GLU A 49 -13.920 3.788 -3.867 1.00 3.00 N ATOM 797 CA GLU A 49 -14.213 3.437 -5.267 1.00 3.18 C ATOM 798 C GLU A 49 -13.136 3.958 -6.256 1.00 2.64 C ATOM 799 O GLU A 49 -11.967 4.022 -5.885 1.00 3.00 O ATOM 800 CB GLU A 49 -15.688 3.811 -5.562 1.00 4.04 C ATOM 801 CG GLU A 49 -16.482 2.776 -6.389 1.00 4.90 C ATOM 802 CD GLU A 49 -16.502 3.008 -7.900 1.00 5.59 C ATOM 803 OE1 GLU A 49 -16.084 4.103 -8.343 1.00 5.68 O ATOM 804 OE2 GLU A 49 -16.917 2.087 -8.625 1.00 6.62 O ATOM 0 H GLU A 49 -13.739 2.967 -3.289 1.00 3.00 H new ATOM 0 HA GLU A 49 -14.135 2.362 -5.429 1.00 3.18 H new ATOM 0 HB2 GLU A 49 -16.203 3.965 -4.614 1.00 4.04 H new ATOM 0 HB3 GLU A 49 -15.704 4.764 -6.092 1.00 4.04 H new ATOM 0 HG2 GLU A 49 -16.064 1.788 -6.197 1.00 4.90 H new ATOM 0 HG3 GLU A 49 -17.511 2.762 -6.029 1.00 4.90 H new ATOM 811 N SER A 50 -13.480 4.282 -7.507 1.00 2.46 N ATOM 812 CA SER A 50 -12.613 4.235 -8.705 1.00 2.26 C ATOM 813 C SER A 50 -11.254 4.949 -8.635 1.00 2.01 C ATOM 814 O SER A 50 -10.335 4.557 -9.354 1.00 2.35 O ATOM 815 CB SER A 50 -13.377 4.798 -9.913 1.00 2.50 C ATOM 816 OG SER A 50 -14.424 3.938 -10.310 1.00 3.66 O ATOM 0 H SER A 50 -14.422 4.603 -7.731 1.00 2.46 H new ATOM 0 HA SER A 50 -12.369 3.176 -8.790 1.00 2.26 H new ATOM 0 HB2 SER A 50 -13.784 5.777 -9.663 1.00 2.50 H new ATOM 0 HB3 SER A 50 -12.688 4.943 -10.745 1.00 2.50 H new ATOM 0 HG SER A 50 -15.255 4.209 -9.867 1.00 3.66 H new ATOM 822 N SER A 51 -11.059 5.942 -7.766 1.00 2.83 N ATOM 823 CA SER A 51 -9.731 6.530 -7.512 1.00 2.94 C ATOM 824 C SER A 51 -8.699 5.494 -7.026 1.00 2.55 C ATOM 825 O SER A 51 -7.497 5.690 -7.184 1.00 2.73 O ATOM 826 CB SER A 51 -9.840 7.628 -6.440 1.00 3.51 C ATOM 827 OG SER A 51 -10.998 8.436 -6.556 1.00 4.40 O ATOM 0 H SER A 51 -11.809 6.364 -7.218 1.00 2.83 H new ATOM 0 HA SER A 51 -9.389 6.935 -8.464 1.00 2.94 H new ATOM 0 HB2 SER A 51 -9.833 7.161 -5.455 1.00 3.51 H new ATOM 0 HB3 SER A 51 -8.958 8.266 -6.497 1.00 3.51 H new ATOM 0 HG SER A 51 -11.001 9.108 -5.843 1.00 4.40 H new ATOM 833 N ILE A 52 -9.157 4.388 -6.423 1.00 2.25 N ATOM 834 CA ILE A 52 -8.309 3.247 -6.037 1.00 1.96 C ATOM 835 C ILE A 52 -8.013 2.305 -7.209 1.00 1.58 C ATOM 836 O ILE A 52 -7.059 1.532 -7.129 1.00 1.54 O ATOM 837 CB ILE A 52 -8.936 2.463 -4.852 1.00 2.10 C ATOM 838 CG1 ILE A 52 -10.147 1.575 -5.235 1.00 2.34 C ATOM 839 CG2 ILE A 52 -9.325 3.411 -3.696 1.00 2.61 C ATOM 840 CD1 ILE A 52 -9.787 0.108 -5.485 1.00 2.18 C ATOM 0 H ILE A 52 -10.140 4.257 -6.186 1.00 2.25 H new ATOM 0 HA ILE A 52 -7.355 3.666 -5.717 1.00 1.96 H new ATOM 0 HB ILE A 52 -8.150 1.782 -4.525 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -10.889 1.626 -4.438 1.00 2.34 H new ATOM 0 HG13 ILE A 52 -10.614 1.982 -6.132 1.00 2.34 H new ATOM 0 HG21 ILE A 52 -9.761 2.832 -2.882 1.00 2.61 H new ATOM 0 HG22 ILE A 52 -8.437 3.930 -3.337 1.00 2.61 H new ATOM 0 HG23 ILE A 52 -10.052 4.140 -4.053 1.00 2.61 H new ATOM 0 HD11 ILE A 52 -10.687 -0.448 -5.748 1.00 2.18 H new ATOM 0 HD12 ILE A 52 -9.069 0.044 -6.303 1.00 2.18 H new ATOM 0 HD13 ILE A 52 -9.348 -0.318 -4.583 1.00 2.18 H new ATOM 852 N ASP A 53 -8.833 2.316 -8.258 1.00 1.46 N ATOM 853 CA ASP A 53 -8.850 1.289 -9.306 1.00 1.41 C ATOM 854 C ASP A 53 -7.966 1.649 -10.506 1.00 1.45 C ATOM 855 O ASP A 53 -7.375 0.756 -11.109 1.00 1.41 O ATOM 856 CB ASP A 53 -10.287 0.994 -9.740 1.00 1.72 C ATOM 857 CG ASP A 53 -10.331 -0.195 -10.703 1.00 2.13 C ATOM 858 OD1 ASP A 53 -9.827 -1.292 -10.359 1.00 2.52 O ATOM 859 OD2 ASP A 53 -10.861 -0.048 -11.831 1.00 3.07 O ATOM 0 H ASP A 53 -9.521 3.054 -8.409 1.00 1.46 H new ATOM 0 HA ASP A 53 -8.421 0.384 -8.876 1.00 1.41 H new ATOM 0 HB2 ASP A 53 -10.900 0.781 -8.864 1.00 1.72 H new ATOM 0 HB3 ASP A 53 -10.714 1.874 -10.222 1.00 1.72 H new ATOM 864 N ASP A 54 -7.773 2.940 -10.795 1.00 1.68 N ATOM 865 CA ASP A 54 -6.634 3.388 -11.609 1.00 1.88 C ATOM 866 C ASP A 54 -5.313 2.832 -11.041 1.00 1.66 C ATOM 867 O ASP A 54 -4.484 2.248 -11.748 1.00 1.67 O ATOM 868 CB ASP A 54 -6.600 4.922 -11.608 1.00 2.42 C ATOM 869 CG ASP A 54 -5.416 5.418 -12.442 1.00 2.87 C ATOM 870 OD1 ASP A 54 -5.455 5.214 -13.676 1.00 2.91 O ATOM 871 OD2 ASP A 54 -4.460 5.949 -11.828 1.00 4.04 O ATOM 0 H ASP A 54 -8.387 3.691 -10.480 1.00 1.68 H new ATOM 0 HA ASP A 54 -6.749 3.019 -12.628 1.00 1.88 H new ATOM 0 HB2 ASP A 54 -7.532 5.315 -12.014 1.00 2.42 H new ATOM 0 HB3 ASP A 54 -6.516 5.292 -10.586 1.00 2.42 H new ATOM 876 N LEU A 55 -5.174 2.932 -9.714 1.00 1.59 N ATOM 877 CA LEU A 55 -4.021 2.443 -8.977 1.00 1.54 C ATOM 878 C LEU A 55 -3.978 0.908 -8.996 1.00 1.47 C ATOM 879 O LEU A 55 -2.917 0.358 -9.284 1.00 1.49 O ATOM 880 CB LEU A 55 -4.006 3.068 -7.565 1.00 1.54 C ATOM 881 CG LEU A 55 -4.080 4.605 -7.543 1.00 1.67 C ATOM 882 CD1 LEU A 55 -4.116 5.097 -6.092 1.00 1.82 C ATOM 883 CD2 LEU A 55 -2.891 5.257 -8.270 1.00 1.71 C ATOM 0 H LEU A 55 -5.879 3.365 -9.117 1.00 1.59 H new ATOM 0 HA LEU A 55 -3.096 2.759 -9.460 1.00 1.54 H new ATOM 0 HB2 LEU A 55 -4.846 2.669 -6.997 1.00 1.54 H new ATOM 0 HB3 LEU A 55 -3.097 2.754 -7.053 1.00 1.54 H new ATOM 0 HG LEU A 55 -4.990 4.895 -8.068 1.00 1.67 H new ATOM 0 HD11 LEU A 55 -4.168 6.186 -6.078 1.00 1.82 H new ATOM 0 HD12 LEU A 55 -4.991 4.685 -5.590 1.00 1.82 H new ATOM 0 HD13 LEU A 55 -3.214 4.771 -5.575 1.00 1.82 H new ATOM 0 HD21 LEU A 55 -2.989 6.342 -8.227 1.00 1.71 H new ATOM 0 HD22 LEU A 55 -1.961 4.957 -7.788 1.00 1.71 H new ATOM 0 HD23 LEU A 55 -2.880 4.935 -9.311 1.00 1.71 H new ATOM 895 N MET A 56 -5.102 0.202 -8.803 1.00 1.42 N ATOM 896 CA MET A 56 -5.173 -1.262 -9.032 1.00 1.39 C ATOM 897 C MET A 56 -4.648 -1.638 -10.426 1.00 1.34 C ATOM 898 O MET A 56 -3.821 -2.545 -10.547 1.00 1.39 O ATOM 899 CB MET A 56 -6.611 -1.804 -8.912 1.00 1.47 C ATOM 900 CG MET A 56 -7.224 -1.800 -7.511 1.00 1.74 C ATOM 901 SD MET A 56 -6.702 -3.162 -6.446 1.00 2.02 S ATOM 902 CE MET A 56 -5.831 -2.194 -5.200 1.00 1.64 C ATOM 0 H MET A 56 -5.980 0.616 -8.488 1.00 1.42 H new ATOM 0 HA MET A 56 -4.550 -1.710 -8.258 1.00 1.39 H new ATOM 0 HB2 MET A 56 -7.253 -1.216 -9.568 1.00 1.47 H new ATOM 0 HB3 MET A 56 -6.623 -2.827 -9.287 1.00 1.47 H new ATOM 0 HG2 MET A 56 -6.971 -0.859 -7.023 1.00 1.74 H new ATOM 0 HG3 MET A 56 -8.310 -1.828 -7.606 1.00 1.74 H new ATOM 0 HE1 MET A 56 -5.427 -2.861 -4.438 1.00 1.64 H new ATOM 0 HE2 MET A 56 -5.016 -1.644 -5.671 1.00 1.64 H new ATOM 0 HE3 MET A 56 -6.523 -1.491 -4.736 1.00 1.64 H new ATOM 912 N LYS A 57 -5.098 -0.927 -11.471 1.00 1.40 N ATOM 913 CA LYS A 57 -4.681 -1.150 -12.861 1.00 1.53 C ATOM 914 C LYS A 57 -3.182 -0.895 -13.048 1.00 1.51 C ATOM 915 O LYS A 57 -2.515 -1.615 -13.788 1.00 1.57 O ATOM 916 CB LYS A 57 -5.524 -0.313 -13.846 1.00 1.74 C ATOM 917 CG LYS A 57 -6.726 -1.101 -14.387 1.00 2.07 C ATOM 918 CD LYS A 57 -7.836 -1.270 -13.348 1.00 3.49 C ATOM 919 CE LYS A 57 -8.856 -2.323 -13.787 1.00 3.90 C ATOM 920 NZ LYS A 57 -9.993 -2.350 -12.846 1.00 5.13 N ATOM 0 H LYS A 57 -5.773 -0.169 -11.371 1.00 1.40 H new ATOM 0 HA LYS A 57 -4.862 -2.201 -13.088 1.00 1.53 H new ATOM 0 HB2 LYS A 57 -5.877 0.589 -13.346 1.00 1.74 H new ATOM 0 HB3 LYS A 57 -4.897 0.008 -14.678 1.00 1.74 H new ATOM 0 HG2 LYS A 57 -7.127 -0.589 -15.262 1.00 2.07 H new ATOM 0 HG3 LYS A 57 -6.392 -2.084 -14.719 1.00 2.07 H new ATOM 0 HD2 LYS A 57 -7.400 -1.560 -12.392 1.00 3.49 H new ATOM 0 HD3 LYS A 57 -8.340 -0.316 -13.193 1.00 3.49 H new ATOM 0 HE2 LYS A 57 -9.211 -2.099 -14.793 1.00 3.90 H new ATOM 0 HE3 LYS A 57 -8.383 -3.304 -13.827 1.00 3.90 H new ATOM 0 HZ1 LYS A 57 -10.629 -3.135 -13.093 1.00 5.13 H new ATOM 0 HZ2 LYS A 57 -9.639 -2.483 -11.877 1.00 5.13 H new ATOM 0 HZ3 LYS A 57 -10.513 -1.451 -12.904 1.00 5.13 H new ATOM 934 N SER A 58 -2.619 0.092 -12.367 1.00 1.52 N ATOM 935 CA SER A 58 -1.180 0.367 -12.423 1.00 1.56 C ATOM 936 C SER A 58 -0.339 -0.795 -11.862 1.00 1.49 C ATOM 937 O SER A 58 0.702 -1.122 -12.439 1.00 1.57 O ATOM 938 CB SER A 58 -0.882 1.692 -11.715 1.00 1.66 C ATOM 939 OG SER A 58 0.421 2.139 -12.044 1.00 2.05 O ATOM 0 H SER A 58 -3.139 0.726 -11.761 1.00 1.52 H new ATOM 0 HA SER A 58 -0.889 0.460 -13.469 1.00 1.56 H new ATOM 0 HB2 SER A 58 -1.617 2.442 -12.007 1.00 1.66 H new ATOM 0 HB3 SER A 58 -0.969 1.564 -10.636 1.00 1.66 H new ATOM 0 HG SER A 58 0.601 2.987 -11.587 1.00 2.05 H new ATOM 945 N LEU A 59 -0.791 -1.479 -10.801 1.00 1.46 N ATOM 946 CA LEU A 59 -0.126 -2.702 -10.322 1.00 1.47 C ATOM 947 C LEU A 59 -0.322 -3.873 -11.300 1.00 1.52 C ATOM 948 O LEU A 59 0.668 -4.480 -11.715 1.00 1.55 O ATOM 949 CB LEU A 59 -0.590 -3.064 -8.898 1.00 1.44 C ATOM 950 CG LEU A 59 -0.405 -1.956 -7.840 1.00 1.47 C ATOM 951 CD1 LEU A 59 -0.776 -2.512 -6.457 1.00 1.50 C ATOM 952 CD2 LEU A 59 1.022 -1.389 -7.789 1.00 1.59 C ATOM 0 H LEU A 59 -1.612 -1.208 -10.259 1.00 1.46 H new ATOM 0 HA LEU A 59 0.944 -2.501 -10.277 1.00 1.47 H new ATOM 0 HB2 LEU A 59 -1.645 -3.334 -8.936 1.00 1.44 H new ATOM 0 HB3 LEU A 59 -0.046 -3.950 -8.571 1.00 1.44 H new ATOM 0 HG LEU A 59 -1.061 -1.134 -8.127 1.00 1.47 H new ATOM 0 HD11 LEU A 59 -0.647 -1.733 -5.705 1.00 1.50 H new ATOM 0 HD12 LEU A 59 -1.815 -2.841 -6.464 1.00 1.50 H new ATOM 0 HD13 LEU A 59 -0.129 -3.357 -6.219 1.00 1.50 H new ATOM 0 HD21 LEU A 59 1.079 -0.615 -7.023 1.00 1.59 H new ATOM 0 HD22 LEU A 59 1.723 -2.189 -7.549 1.00 1.59 H new ATOM 0 HD23 LEU A 59 1.278 -0.960 -8.758 1.00 1.59 H new ATOM 964 N ASP A 60 -1.582 -4.132 -11.672 1.00 1.58 N ATOM 965 CA ASP A 60 -2.055 -5.147 -12.631 1.00 1.73 C ATOM 966 C ASP A 60 -1.220 -5.193 -13.916 1.00 1.58 C ATOM 967 O ASP A 60 -0.835 -6.281 -14.345 1.00 1.59 O ATOM 968 CB ASP A 60 -3.539 -4.829 -12.915 1.00 1.96 C ATOM 969 CG ASP A 60 -4.180 -5.378 -14.203 1.00 2.99 C ATOM 970 OD1 ASP A 60 -3.780 -4.948 -15.313 1.00 4.24 O ATOM 971 OD2 ASP A 60 -5.187 -6.106 -14.089 1.00 3.54 O ATOM 0 H ASP A 60 -2.359 -3.598 -11.282 1.00 1.58 H new ATOM 0 HA ASP A 60 -1.945 -6.143 -12.203 1.00 1.73 H new ATOM 0 HB2 ASP A 60 -4.123 -5.198 -12.072 1.00 1.96 H new ATOM 0 HB3 ASP A 60 -3.648 -3.745 -12.928 1.00 1.96 H new ATOM 976 N LYS A 61 -0.895 -4.032 -14.503 1.00 1.64 N ATOM 977 CA LYS A 61 -0.297 -3.963 -15.842 1.00 1.71 C ATOM 978 C LYS A 61 0.976 -4.789 -16.019 1.00 1.68 C ATOM 979 O LYS A 61 1.220 -5.294 -17.112 1.00 1.84 O ATOM 980 CB LYS A 61 0.011 -2.500 -16.221 1.00 1.79 C ATOM 981 CG LYS A 61 -1.145 -1.559 -16.600 1.00 2.79 C ATOM 982 CD LYS A 61 -2.528 -2.176 -16.876 1.00 3.52 C ATOM 983 CE LYS A 61 -2.568 -3.128 -18.080 1.00 4.20 C ATOM 984 NZ LYS A 61 -3.603 -4.172 -17.876 1.00 6.31 N ATOM 0 H LYS A 61 -1.038 -3.122 -14.066 1.00 1.64 H new ATOM 0 HA LYS A 61 -1.048 -4.396 -16.503 1.00 1.71 H new ATOM 0 HB2 LYS A 61 0.538 -2.048 -15.381 1.00 1.79 H new ATOM 0 HB3 LYS A 61 0.706 -2.519 -17.060 1.00 1.79 H new ATOM 0 HG2 LYS A 61 -1.260 -0.833 -15.795 1.00 2.79 H new ATOM 0 HG3 LYS A 61 -0.845 -1.005 -17.489 1.00 2.79 H new ATOM 0 HD2 LYS A 61 -2.854 -2.718 -15.988 1.00 3.52 H new ATOM 0 HD3 LYS A 61 -3.245 -1.372 -17.040 1.00 3.52 H new ATOM 0 HE2 LYS A 61 -2.782 -2.567 -18.989 1.00 4.20 H new ATOM 0 HE3 LYS A 61 -1.592 -3.595 -18.216 1.00 4.20 H new ATOM 0 HZ1 LYS A 61 -3.551 -4.867 -18.648 1.00 6.31 H new ATOM 0 HZ2 LYS A 61 -3.439 -4.650 -16.967 1.00 6.31 H new ATOM 0 HZ3 LYS A 61 -4.545 -3.731 -17.870 1.00 6.31 H new ATOM 998 N ASN A 62 1.784 -4.901 -14.965 1.00 1.63 N ATOM 999 CA ASN A 62 3.079 -5.599 -15.008 1.00 1.71 C ATOM 1000 C ASN A 62 3.367 -6.549 -13.827 1.00 1.64 C ATOM 1001 O ASN A 62 4.068 -7.537 -14.032 1.00 2.07 O ATOM 1002 CB ASN A 62 4.177 -4.543 -15.190 1.00 2.02 C ATOM 1003 CG ASN A 62 4.140 -3.910 -16.568 1.00 2.37 C ATOM 1004 OD1 ASN A 62 3.830 -2.739 -16.733 1.00 2.97 O ATOM 1005 ND2 ASN A 62 4.416 -4.684 -17.599 1.00 2.82 N ATOM 0 H ASN A 62 1.562 -4.509 -14.050 1.00 1.63 H new ATOM 0 HA ASN A 62 3.051 -6.284 -15.855 1.00 1.71 H new ATOM 0 HB2 ASN A 62 4.062 -3.768 -14.433 1.00 2.02 H new ATOM 0 HB3 ASN A 62 5.152 -5.003 -15.030 1.00 2.02 H new ATOM 0 HD21 ASN A 62 4.372 -4.307 -18.546 1.00 2.82 H new ATOM 0 HD22 ASN A 62 4.674 -5.660 -17.450 1.00 2.82 H new ATOM 1012 N SER A 63 2.793 -6.318 -12.643 1.00 1.78 N ATOM 1013 CA SER A 63 2.422 -7.307 -11.602 1.00 1.68 C ATOM 1014 C SER A 63 3.514 -8.116 -10.868 1.00 1.73 C ATOM 1015 O SER A 63 3.422 -8.310 -9.664 1.00 1.88 O ATOM 1016 CB SER A 63 1.390 -8.296 -12.163 1.00 1.67 C ATOM 1017 OG SER A 63 0.100 -7.712 -12.177 1.00 2.68 O ATOM 0 H SER A 63 2.554 -5.369 -12.357 1.00 1.78 H new ATOM 0 HA SER A 63 2.046 -6.646 -10.821 1.00 1.68 H new ATOM 0 HB2 SER A 63 1.673 -8.592 -13.173 1.00 1.67 H new ATOM 0 HB3 SER A 63 1.379 -9.202 -11.557 1.00 1.67 H new ATOM 0 HG SER A 63 -0.046 -7.263 -13.036 1.00 2.68 H new ATOM 1023 N ASP A 64 4.555 -8.618 -11.519 1.00 1.71 N ATOM 1024 CA ASP A 64 5.426 -9.679 -10.962 1.00 1.88 C ATOM 1025 C ASP A 64 6.909 -9.357 -11.173 1.00 1.65 C ATOM 1026 O ASP A 64 7.809 -10.180 -11.033 1.00 1.82 O ATOM 1027 CB ASP A 64 4.946 -11.061 -11.440 1.00 2.19 C ATOM 1028 CG ASP A 64 3.754 -11.543 -10.598 1.00 3.22 C ATOM 1029 OD1 ASP A 64 3.984 -12.156 -9.524 1.00 4.35 O ATOM 1030 OD2 ASP A 64 2.582 -11.329 -10.980 1.00 3.56 O ATOM 0 H ASP A 64 4.831 -8.309 -12.451 1.00 1.71 H new ATOM 0 HA ASP A 64 5.336 -9.716 -9.876 1.00 1.88 H new ATOM 0 HB2 ASP A 64 4.658 -11.008 -12.490 1.00 2.19 H new ATOM 0 HB3 ASP A 64 5.762 -11.780 -11.369 1.00 2.19 H new ATOM 1035 N GLN A 65 7.137 -8.062 -11.374 1.00 1.64 N ATOM 1036 CA GLN A 65 8.187 -7.316 -10.708 1.00 1.70 C ATOM 1037 C GLN A 65 8.245 -7.644 -9.206 1.00 1.11 C ATOM 1038 O GLN A 65 7.197 -7.677 -8.552 1.00 0.97 O ATOM 1039 CB GLN A 65 7.770 -5.843 -10.819 1.00 2.18 C ATOM 1040 CG GLN A 65 7.868 -5.215 -12.213 1.00 2.57 C ATOM 1041 CD GLN A 65 6.919 -4.024 -12.308 1.00 3.60 C ATOM 1042 OE1 GLN A 65 5.778 -4.164 -12.703 1.00 3.75 O ATOM 1043 NE2 GLN A 65 7.291 -2.835 -11.885 1.00 5.13 N ATOM 0 H GLN A 65 6.584 -7.496 -12.017 1.00 1.64 H new ATOM 0 HA GLN A 65 9.153 -7.550 -11.156 1.00 1.70 H new ATOM 0 HB2 GLN A 65 6.740 -5.752 -10.474 1.00 2.18 H new ATOM 0 HB3 GLN A 65 8.388 -5.260 -10.136 1.00 2.18 H new ATOM 0 HG2 GLN A 65 8.891 -4.893 -12.406 1.00 2.57 H new ATOM 0 HG3 GLN A 65 7.617 -5.954 -12.974 1.00 2.57 H new ATOM 0 HE21 GLN A 65 8.242 -2.688 -11.548 1.00 5.13 H new ATOM 0 HE22 GLN A 65 6.628 -2.060 -11.894 1.00 5.13 H new ATOM 1052 N GLU A 66 9.454 -7.761 -8.647 1.00 0.93 N ATOM 1053 CA GLU A 66 9.665 -7.634 -7.202 1.00 0.79 C ATOM 1054 C GLU A 66 9.606 -6.157 -6.785 1.00 0.93 C ATOM 1055 O GLU A 66 10.040 -5.275 -7.530 1.00 1.12 O ATOM 1056 CB GLU A 66 11.028 -8.208 -6.777 1.00 0.77 C ATOM 1057 CG GLU A 66 11.128 -9.730 -6.875 1.00 0.88 C ATOM 1058 CD GLU A 66 12.493 -10.191 -6.361 1.00 1.34 C ATOM 1059 OE1 GLU A 66 12.604 -10.404 -5.127 1.00 2.09 O ATOM 1060 OE2 GLU A 66 13.426 -10.293 -7.185 1.00 2.35 O ATOM 0 H GLU A 66 10.306 -7.945 -9.177 1.00 0.93 H new ATOM 0 HA GLU A 66 8.874 -8.199 -6.709 1.00 0.79 H new ATOM 0 HB2 GLU A 66 11.806 -7.764 -7.398 1.00 0.77 H new ATOM 0 HB3 GLU A 66 11.231 -7.908 -5.749 1.00 0.77 H new ATOM 0 HG2 GLU A 66 10.333 -10.195 -6.292 1.00 0.88 H new ATOM 0 HG3 GLU A 66 10.992 -10.047 -7.909 1.00 0.88 H new ATOM 1067 N ILE A 67 9.127 -5.892 -5.565 1.00 0.91 N ATOM 1068 CA ILE A 67 9.219 -4.572 -4.920 1.00 1.02 C ATOM 1069 C ILE A 67 9.924 -4.640 -3.560 1.00 1.02 C ATOM 1070 O ILE A 67 9.721 -5.581 -2.795 1.00 0.99 O ATOM 1071 CB ILE A 67 7.834 -3.900 -4.805 1.00 1.14 C ATOM 1072 CG1 ILE A 67 6.909 -4.592 -3.778 1.00 2.48 C ATOM 1073 CG2 ILE A 67 7.172 -3.810 -6.189 1.00 1.47 C ATOM 1074 CD1 ILE A 67 5.579 -3.875 -3.566 1.00 2.63 C ATOM 0 H ILE A 67 8.660 -6.593 -4.990 1.00 0.91 H new ATOM 0 HA ILE A 67 9.836 -3.948 -5.566 1.00 1.02 H new ATOM 0 HB ILE A 67 7.996 -2.891 -4.425 1.00 1.14 H new ATOM 0 HG12 ILE A 67 6.713 -5.612 -4.109 1.00 2.48 H new ATOM 0 HG13 ILE A 67 7.430 -4.662 -2.823 1.00 2.48 H new ATOM 0 HG21 ILE A 67 6.196 -3.334 -6.095 1.00 1.47 H new ATOM 0 HG22 ILE A 67 7.801 -3.220 -6.855 1.00 1.47 H new ATOM 0 HG23 ILE A 67 7.049 -4.812 -6.599 1.00 1.47 H new ATOM 0 HD11 ILE A 67 4.985 -4.420 -2.832 1.00 2.63 H new ATOM 0 HD12 ILE A 67 5.764 -2.864 -3.204 1.00 2.63 H new ATOM 0 HD13 ILE A 67 5.036 -3.829 -4.510 1.00 2.63 H new ATOM 1086 N ASP A 68 10.712 -3.612 -3.240 1.00 1.15 N ATOM 1087 CA ASP A 68 11.582 -3.546 -2.052 1.00 1.42 C ATOM 1088 C ASP A 68 11.058 -2.571 -0.977 1.00 1.85 C ATOM 1089 O ASP A 68 11.799 -1.723 -0.481 1.00 3.78 O ATOM 1090 CB ASP A 68 13.011 -3.196 -2.519 1.00 1.66 C ATOM 1091 CG ASP A 68 13.187 -1.763 -3.045 1.00 1.64 C ATOM 1092 OD1 ASP A 68 12.194 -1.099 -3.443 1.00 1.76 O ATOM 1093 OD2 ASP A 68 14.340 -1.271 -3.072 1.00 2.79 O ATOM 0 H ASP A 68 10.768 -2.772 -3.816 1.00 1.15 H new ATOM 0 HA ASP A 68 11.587 -4.519 -1.560 1.00 1.42 H new ATOM 0 HB2 ASP A 68 13.697 -3.349 -1.686 1.00 1.66 H new ATOM 0 HB3 ASP A 68 13.302 -3.894 -3.304 1.00 1.66 H new ATOM 1098 N PHE A 69 9.754 -2.634 -0.662 1.00 0.79 N ATOM 1099 CA PHE A 69 9.058 -1.797 0.343 1.00 0.75 C ATOM 1100 C PHE A 69 8.844 -0.333 -0.127 1.00 0.74 C ATOM 1101 O PHE A 69 8.053 0.409 0.458 1.00 0.72 O ATOM 1102 CB PHE A 69 9.776 -1.909 1.713 1.00 0.88 C ATOM 1103 CG PHE A 69 9.120 -1.265 2.922 1.00 0.98 C ATOM 1104 CD1 PHE A 69 7.900 -1.757 3.422 1.00 2.41 C ATOM 1105 CD2 PHE A 69 9.787 -0.241 3.620 1.00 1.96 C ATOM 1106 CE1 PHE A 69 7.360 -1.237 4.610 1.00 2.99 C ATOM 1107 CE2 PHE A 69 9.228 0.310 4.787 1.00 2.72 C ATOM 1108 CZ PHE A 69 8.013 -0.189 5.284 1.00 2.78 C ATOM 0 H PHE A 69 9.125 -3.296 -1.117 1.00 0.79 H new ATOM 0 HA PHE A 69 8.047 -2.186 0.467 1.00 0.75 H new ATOM 0 HB2 PHE A 69 9.911 -2.968 1.932 1.00 0.88 H new ATOM 0 HB3 PHE A 69 10.771 -1.476 1.604 1.00 0.88 H new ATOM 0 HD1 PHE A 69 7.377 -2.538 2.890 1.00 2.41 H new ATOM 0 HD2 PHE A 69 10.736 0.125 3.256 1.00 1.96 H new ATOM 0 HE1 PHE A 69 6.441 -1.643 5.007 1.00 2.99 H new ATOM 0 HE2 PHE A 69 9.732 1.116 5.300 1.00 2.72 H new ATOM 0 HZ PHE A 69 7.581 0.230 6.181 1.00 2.78 H new ATOM 1118 N LYS A 70 9.469 0.103 -1.226 1.00 0.88 N ATOM 1119 CA LYS A 70 9.483 1.499 -1.672 1.00 0.88 C ATOM 1120 C LYS A 70 8.270 1.836 -2.550 1.00 0.74 C ATOM 1121 O LYS A 70 7.542 2.786 -2.263 1.00 0.70 O ATOM 1122 CB LYS A 70 10.811 1.713 -2.406 1.00 1.02 C ATOM 1123 CG LYS A 70 11.264 3.174 -2.421 1.00 1.18 C ATOM 1124 CD LYS A 70 12.453 3.379 -3.369 1.00 1.63 C ATOM 1125 CE LYS A 70 13.697 2.535 -3.028 1.00 2.65 C ATOM 1126 NZ LYS A 70 13.669 1.213 -3.700 1.00 3.48 N ATOM 0 H LYS A 70 9.991 -0.519 -1.843 1.00 0.88 H new ATOM 0 HA LYS A 70 9.407 2.175 -0.821 1.00 0.88 H new ATOM 0 HB2 LYS A 70 11.582 1.105 -1.933 1.00 1.02 H new ATOM 0 HB3 LYS A 70 10.712 1.360 -3.432 1.00 1.02 H new ATOM 0 HG2 LYS A 70 10.435 3.811 -2.731 1.00 1.18 H new ATOM 0 HG3 LYS A 70 11.543 3.481 -1.413 1.00 1.18 H new ATOM 0 HD2 LYS A 70 12.136 3.142 -4.385 1.00 1.63 H new ATOM 0 HD3 LYS A 70 12.731 4.433 -3.360 1.00 1.63 H new ATOM 0 HE2 LYS A 70 14.595 3.075 -3.327 1.00 2.65 H new ATOM 0 HE3 LYS A 70 13.755 2.393 -1.949 1.00 2.65 H new ATOM 0 HZ1 LYS A 70 14.172 0.516 -3.115 1.00 3.48 H new ATOM 0 HZ2 LYS A 70 12.683 0.910 -3.829 1.00 3.48 H new ATOM 0 HZ3 LYS A 70 14.133 1.285 -4.628 1.00 3.48 H new ATOM 1140 N GLU A 71 8.026 1.000 -3.567 1.00 0.73 N ATOM 1141 CA GLU A 71 6.778 1.018 -4.339 1.00 0.65 C ATOM 1142 C GLU A 71 5.581 0.858 -3.400 1.00 0.54 C ATOM 1143 O GLU A 71 4.586 1.559 -3.540 1.00 0.59 O ATOM 1144 CB GLU A 71 6.721 -0.104 -5.385 1.00 0.81 C ATOM 1145 CG GLU A 71 7.775 -0.005 -6.494 1.00 1.06 C ATOM 1146 CD GLU A 71 7.118 -0.188 -7.867 1.00 1.79 C ATOM 1147 OE1 GLU A 71 6.685 -1.324 -8.162 1.00 2.92 O ATOM 1148 OE2 GLU A 71 6.962 0.800 -8.620 1.00 2.19 O ATOM 0 H GLU A 71 8.690 0.291 -3.878 1.00 0.73 H new ATOM 0 HA GLU A 71 6.743 1.976 -4.857 1.00 0.65 H new ATOM 0 HB2 GLU A 71 6.838 -1.061 -4.877 1.00 0.81 H new ATOM 0 HB3 GLU A 71 5.732 -0.105 -5.843 1.00 0.81 H new ATOM 0 HG2 GLU A 71 8.273 0.964 -6.447 1.00 1.06 H new ATOM 0 HG3 GLU A 71 8.542 -0.765 -6.346 1.00 1.06 H new ATOM 1155 N TYR A 72 5.717 -0.002 -2.389 1.00 0.53 N ATOM 1156 CA TYR A 72 4.707 -0.209 -1.348 1.00 0.47 C ATOM 1157 C TYR A 72 4.378 1.121 -0.642 1.00 0.46 C ATOM 1158 O TYR A 72 3.217 1.518 -0.597 1.00 0.45 O ATOM 1159 CB TYR A 72 5.211 -1.322 -0.406 1.00 0.50 C ATOM 1160 CG TYR A 72 4.571 -1.432 0.970 1.00 0.58 C ATOM 1161 CD1 TYR A 72 4.998 -0.580 2.006 1.00 2.29 C ATOM 1162 CD2 TYR A 72 3.628 -2.443 1.253 1.00 1.58 C ATOM 1163 CE1 TYR A 72 4.443 -0.690 3.290 1.00 2.60 C ATOM 1164 CE2 TYR A 72 3.103 -2.589 2.549 1.00 1.39 C ATOM 1165 CZ TYR A 72 3.509 -1.708 3.572 1.00 1.14 C ATOM 1166 OH TYR A 72 3.034 -1.849 4.835 1.00 1.54 O ATOM 0 H TYR A 72 6.546 -0.584 -2.268 1.00 0.53 H new ATOM 0 HA TYR A 72 3.759 -0.543 -1.771 1.00 0.47 H new ATOM 0 HB2 TYR A 72 5.077 -2.277 -0.915 1.00 0.50 H new ATOM 0 HB3 TYR A 72 6.283 -1.182 -0.266 1.00 0.50 H new ATOM 0 HD1 TYR A 72 5.757 0.163 1.811 1.00 2.29 H new ATOM 0 HD2 TYR A 72 3.307 -3.110 0.467 1.00 1.58 H new ATOM 0 HE1 TYR A 72 4.732 0.006 4.064 1.00 2.60 H new ATOM 0 HE2 TYR A 72 2.391 -3.373 2.760 1.00 1.39 H new ATOM 0 HH TYR A 72 3.676 -2.360 5.371 1.00 1.54 H new ATOM 1176 N SER A 73 5.379 1.841 -0.121 1.00 0.51 N ATOM 1177 CA SER A 73 5.145 3.070 0.643 1.00 0.54 C ATOM 1178 C SER A 73 4.616 4.221 -0.225 1.00 0.53 C ATOM 1179 O SER A 73 3.657 4.883 0.182 1.00 0.55 O ATOM 1180 CB SER A 73 6.404 3.459 1.424 1.00 0.59 C ATOM 1181 OG SER A 73 7.507 3.769 0.599 1.00 1.29 O ATOM 0 H SER A 73 6.363 1.591 -0.216 1.00 0.51 H new ATOM 0 HA SER A 73 4.351 2.864 1.361 1.00 0.54 H new ATOM 0 HB2 SER A 73 6.179 4.319 2.054 1.00 0.59 H new ATOM 0 HB3 SER A 73 6.677 2.639 2.089 1.00 0.59 H new ATOM 0 HG SER A 73 8.253 4.081 1.153 1.00 1.29 H new ATOM 1187 N VAL A 74 5.148 4.426 -1.438 1.00 0.54 N ATOM 1188 CA VAL A 74 4.649 5.476 -2.344 1.00 0.56 C ATOM 1189 C VAL A 74 3.268 5.161 -2.913 1.00 0.56 C ATOM 1190 O VAL A 74 2.474 6.087 -3.066 1.00 0.57 O ATOM 1191 CB VAL A 74 5.606 5.824 -3.501 1.00 0.64 C ATOM 1192 CG1 VAL A 74 6.956 6.282 -2.943 1.00 0.71 C ATOM 1193 CG2 VAL A 74 5.794 4.721 -4.547 1.00 0.67 C ATOM 0 H VAL A 74 5.923 3.881 -1.816 1.00 0.54 H new ATOM 0 HA VAL A 74 4.580 6.353 -1.700 1.00 0.56 H new ATOM 0 HB VAL A 74 5.124 6.637 -4.044 1.00 0.64 H new ATOM 0 HG11 VAL A 74 7.626 6.526 -3.767 1.00 0.71 H new ATOM 0 HG12 VAL A 74 6.812 7.164 -2.319 1.00 0.71 H new ATOM 0 HG13 VAL A 74 7.393 5.482 -2.345 1.00 0.71 H new ATOM 0 HG21 VAL A 74 6.484 5.064 -5.317 1.00 0.67 H new ATOM 0 HG22 VAL A 74 6.199 3.830 -4.067 1.00 0.67 H new ATOM 0 HG23 VAL A 74 4.832 4.483 -5.002 1.00 0.67 H new ATOM 1203 N PHE A 75 2.947 3.891 -3.192 1.00 0.58 N ATOM 1204 CA PHE A 75 1.623 3.495 -3.656 1.00 0.58 C ATOM 1205 C PHE A 75 0.615 3.592 -2.524 1.00 0.56 C ATOM 1206 O PHE A 75 -0.450 4.144 -2.750 1.00 0.55 O ATOM 1207 CB PHE A 75 1.643 2.068 -4.218 1.00 0.63 C ATOM 1208 CG PHE A 75 0.329 1.625 -4.835 1.00 0.51 C ATOM 1209 CD1 PHE A 75 -0.702 1.067 -4.048 1.00 1.74 C ATOM 1210 CD2 PHE A 75 0.140 1.771 -6.221 1.00 1.89 C ATOM 1211 CE1 PHE A 75 -1.875 0.591 -4.661 1.00 1.83 C ATOM 1212 CE2 PHE A 75 -1.026 1.285 -6.828 1.00 1.82 C ATOM 1213 CZ PHE A 75 -2.024 0.676 -6.052 1.00 0.56 C ATOM 0 H PHE A 75 3.602 3.114 -3.101 1.00 0.58 H new ATOM 0 HA PHE A 75 1.328 4.176 -4.454 1.00 0.58 H new ATOM 0 HB2 PHE A 75 2.428 1.997 -4.971 1.00 0.63 H new ATOM 0 HB3 PHE A 75 1.907 1.377 -3.417 1.00 0.63 H new ATOM 0 HD1 PHE A 75 -0.590 1.006 -2.976 1.00 1.74 H new ATOM 0 HD2 PHE A 75 0.895 2.259 -6.819 1.00 1.89 H new ATOM 0 HE1 PHE A 75 -2.661 0.160 -4.059 1.00 1.83 H new ATOM 0 HE2 PHE A 75 -1.157 1.379 -7.896 1.00 1.82 H new ATOM 0 HZ PHE A 75 -2.907 0.273 -6.526 1.00 0.56 H new ATOM 1223 N LEU A 76 0.925 3.128 -1.309 1.00 0.59 N ATOM 1224 CA LEU A 76 0.029 3.260 -0.154 1.00 0.62 C ATOM 1225 C LEU A 76 -0.243 4.727 0.196 1.00 0.59 C ATOM 1226 O LEU A 76 -1.395 5.077 0.446 1.00 0.65 O ATOM 1227 CB LEU A 76 0.634 2.535 1.053 1.00 0.69 C ATOM 1228 CG LEU A 76 0.461 1.007 1.010 1.00 0.78 C ATOM 1229 CD1 LEU A 76 1.401 0.397 2.043 1.00 1.32 C ATOM 1230 CD2 LEU A 76 -0.989 0.589 1.307 1.00 0.66 C ATOM 0 H LEU A 76 1.802 2.651 -1.098 1.00 0.59 H new ATOM 0 HA LEU A 76 -0.926 2.805 -0.418 1.00 0.62 H new ATOM 0 HB2 LEU A 76 1.697 2.769 1.111 1.00 0.69 H new ATOM 0 HB3 LEU A 76 0.173 2.918 1.964 1.00 0.69 H new ATOM 0 HG LEU A 76 0.699 0.649 0.008 1.00 0.78 H new ATOM 0 HD11 LEU A 76 1.298 -0.688 2.033 1.00 1.32 H new ATOM 0 HD12 LEU A 76 2.430 0.666 1.803 1.00 1.32 H new ATOM 0 HD13 LEU A 76 1.149 0.776 3.033 1.00 1.32 H new ATOM 0 HD21 LEU A 76 -1.070 -0.497 1.267 1.00 0.66 H new ATOM 0 HD22 LEU A 76 -1.272 0.938 2.300 1.00 0.66 H new ATOM 0 HD23 LEU A 76 -1.654 1.030 0.564 1.00 0.66 H new ATOM 1242 N THR A 77 0.786 5.582 0.151 1.00 0.55 N ATOM 1243 CA THR A 77 0.667 7.039 0.322 1.00 0.56 C ATOM 1244 C THR A 77 -0.197 7.663 -0.766 1.00 0.57 C ATOM 1245 O THR A 77 -1.063 8.481 -0.477 1.00 0.60 O ATOM 1246 CB THR A 77 2.060 7.666 0.347 1.00 0.56 C ATOM 1247 OG1 THR A 77 2.731 7.165 1.471 1.00 0.59 O ATOM 1248 CG2 THR A 77 2.001 9.187 0.490 1.00 0.66 C ATOM 0 H THR A 77 1.746 5.276 -0.009 1.00 0.55 H new ATOM 0 HA THR A 77 0.171 7.237 1.272 1.00 0.56 H new ATOM 0 HB THR A 77 2.562 7.424 -0.590 1.00 0.56 H new ATOM 0 HG1 THR A 77 3.159 6.313 1.244 1.00 0.59 H new ATOM 0 HG21 THR A 77 3.013 9.591 0.503 1.00 0.66 H new ATOM 0 HG22 THR A 77 1.452 9.611 -0.351 1.00 0.66 H new ATOM 0 HG23 THR A 77 1.495 9.446 1.420 1.00 0.66 H new ATOM 1256 N MET A 78 0.021 7.261 -2.024 1.00 0.57 N ATOM 1257 CA MET A 78 -0.758 7.717 -3.178 1.00 0.59 C ATOM 1258 C MET A 78 -2.210 7.216 -3.146 1.00 0.68 C ATOM 1259 O MET A 78 -3.104 7.970 -3.520 1.00 0.78 O ATOM 1260 CB MET A 78 -0.009 7.284 -4.448 1.00 0.57 C ATOM 1261 CG MET A 78 -0.621 7.822 -5.743 1.00 1.01 C ATOM 1262 SD MET A 78 0.608 8.351 -6.969 1.00 1.30 S ATOM 1263 CE MET A 78 1.334 6.744 -7.391 1.00 1.24 C ATOM 0 H MET A 78 0.756 6.599 -2.271 1.00 0.57 H new ATOM 0 HA MET A 78 -0.845 8.803 -3.157 1.00 0.59 H new ATOM 0 HB2 MET A 78 1.026 7.620 -4.380 1.00 0.57 H new ATOM 0 HB3 MET A 78 0.011 6.195 -4.492 1.00 0.57 H new ATOM 0 HG2 MET A 78 -1.252 7.050 -6.184 1.00 1.01 H new ATOM 0 HG3 MET A 78 -1.269 8.665 -5.505 1.00 1.01 H new ATOM 0 HE1 MET A 78 2.115 6.883 -8.139 1.00 1.24 H new ATOM 0 HE2 MET A 78 1.764 6.293 -6.497 1.00 1.24 H new ATOM 0 HE3 MET A 78 0.560 6.089 -7.792 1.00 1.24 H new ATOM 1273 N LEU A 79 -2.442 5.995 -2.663 1.00 0.71 N ATOM 1274 CA LEU A 79 -3.744 5.347 -2.507 1.00 0.96 C ATOM 1275 C LEU A 79 -4.547 5.978 -1.374 1.00 1.13 C ATOM 1276 O LEU A 79 -5.684 6.365 -1.587 1.00 1.24 O ATOM 1277 CB LEU A 79 -3.518 3.834 -2.290 1.00 1.14 C ATOM 1278 CG LEU A 79 -4.786 3.037 -1.934 1.00 1.27 C ATOM 1279 CD1 LEU A 79 -5.872 3.169 -3.007 1.00 1.82 C ATOM 1280 CD2 LEU A 79 -4.446 1.556 -1.732 1.00 2.31 C ATOM 0 H LEU A 79 -1.678 5.395 -2.351 1.00 0.71 H new ATOM 0 HA LEU A 79 -4.337 5.490 -3.410 1.00 0.96 H new ATOM 0 HB2 LEU A 79 -3.083 3.412 -3.196 1.00 1.14 H new ATOM 0 HB3 LEU A 79 -2.786 3.701 -1.493 1.00 1.14 H new ATOM 0 HG LEU A 79 -5.176 3.457 -1.007 1.00 1.27 H new ATOM 0 HD11 LEU A 79 -6.747 2.590 -2.712 1.00 1.82 H new ATOM 0 HD12 LEU A 79 -6.150 4.217 -3.116 1.00 1.82 H new ATOM 0 HD13 LEU A 79 -5.492 2.794 -3.957 1.00 1.82 H new ATOM 0 HD21 LEU A 79 -5.353 1.006 -1.481 1.00 2.31 H new ATOM 0 HD22 LEU A 79 -4.019 1.152 -2.650 1.00 2.31 H new ATOM 0 HD23 LEU A 79 -3.724 1.456 -0.921 1.00 2.31 H new ATOM 1292 N CYS A 80 -3.949 6.164 -0.196 1.00 1.20 N ATOM 1293 CA CYS A 80 -4.598 6.866 0.916 1.00 1.41 C ATOM 1294 C CYS A 80 -4.958 8.313 0.522 1.00 1.43 C ATOM 1295 O CYS A 80 -6.070 8.780 0.753 1.00 1.60 O ATOM 1296 CB CYS A 80 -3.680 6.734 2.137 1.00 1.54 C ATOM 1297 SG CYS A 80 -4.545 7.242 3.650 1.00 1.95 S ATOM 0 H CYS A 80 -3.007 5.835 0.015 1.00 1.20 H new ATOM 0 HA CYS A 80 -5.559 6.422 1.175 1.00 1.41 H new ATOM 0 HB2 CYS A 80 -3.343 5.702 2.234 1.00 1.54 H new ATOM 0 HB3 CYS A 80 -2.791 7.348 1.997 1.00 1.54 H new ATOM 0 HG CYS A 80 -5.806 6.943 3.550 1.00 1.95 H new ATOM 1303 N MET A 81 -4.097 8.996 -0.242 1.00 1.32 N ATOM 1304 CA MET A 81 -4.409 10.311 -0.826 1.00 1.41 C ATOM 1305 C MET A 81 -5.449 10.254 -1.957 1.00 1.48 C ATOM 1306 O MET A 81 -6.021 11.292 -2.295 1.00 1.64 O ATOM 1307 CB MET A 81 -3.118 11.012 -1.266 1.00 1.36 C ATOM 1308 CG MET A 81 -2.285 11.434 -0.049 1.00 2.39 C ATOM 1309 SD MET A 81 -3.034 12.745 0.955 1.00 4.21 S ATOM 1310 CE MET A 81 -2.242 12.392 2.543 1.00 5.58 C ATOM 0 H MET A 81 -3.164 8.655 -0.474 1.00 1.32 H new ATOM 0 HA MET A 81 -4.881 10.903 -0.042 1.00 1.41 H new ATOM 0 HB2 MET A 81 -2.533 10.344 -1.898 1.00 1.36 H new ATOM 0 HB3 MET A 81 -3.361 11.888 -1.867 1.00 1.36 H new ATOM 0 HG2 MET A 81 -2.118 10.561 0.582 1.00 2.39 H new ATOM 0 HG3 MET A 81 -1.307 11.771 -0.393 1.00 2.39 H new ATOM 0 HE1 MET A 81 -2.738 12.959 3.331 1.00 5.58 H new ATOM 0 HE2 MET A 81 -2.319 11.326 2.759 1.00 5.58 H new ATOM 0 HE3 MET A 81 -1.191 12.677 2.497 1.00 5.58 H new ATOM 1320 N ALA A 82 -5.759 9.075 -2.506 1.00 1.43 N ATOM 1321 CA ALA A 82 -6.883 8.889 -3.422 1.00 1.55 C ATOM 1322 C ALA A 82 -8.248 8.961 -2.702 1.00 1.65 C ATOM 1323 O ALA A 82 -9.284 9.015 -3.366 1.00 1.71 O ATOM 1324 CB ALA A 82 -6.698 7.589 -4.223 1.00 1.56 C ATOM 0 H ALA A 82 -5.233 8.220 -2.325 1.00 1.43 H new ATOM 0 HA ALA A 82 -6.890 9.719 -4.129 1.00 1.55 H new ATOM 0 HB1 ALA A 82 -7.540 7.458 -4.903 1.00 1.56 H new ATOM 0 HB2 ALA A 82 -5.773 7.644 -4.797 1.00 1.56 H new ATOM 0 HB3 ALA A 82 -6.650 6.743 -3.537 1.00 1.56 H new ATOM 1330 N TYR A 83 -8.261 9.006 -1.361 1.00 1.70 N ATOM 1331 CA TYR A 83 -9.479 9.122 -0.557 1.00 1.88 C ATOM 1332 C TYR A 83 -9.431 10.050 0.663 1.00 1.74 C ATOM 1333 O TYR A 83 -10.495 10.384 1.200 1.00 1.96 O ATOM 1334 CB TYR A 83 -9.930 7.727 -0.140 1.00 2.09 C ATOM 1335 CG TYR A 83 -8.957 6.832 0.596 1.00 1.98 C ATOM 1336 CD1 TYR A 83 -8.684 7.045 1.961 1.00 2.68 C ATOM 1337 CD2 TYR A 83 -8.461 5.687 -0.046 1.00 2.49 C ATOM 1338 CE1 TYR A 83 -7.899 6.121 2.677 1.00 2.82 C ATOM 1339 CE2 TYR A 83 -7.713 4.740 0.672 1.00 2.50 C ATOM 1340 CZ TYR A 83 -7.422 4.953 2.040 1.00 2.17 C ATOM 1341 OH TYR A 83 -6.689 4.040 2.737 1.00 2.37 O ATOM 0 H TYR A 83 -7.410 8.962 -0.800 1.00 1.70 H new ATOM 0 HA TYR A 83 -10.196 9.614 -1.214 1.00 1.88 H new ATOM 0 HB2 TYR A 83 -10.813 7.841 0.489 1.00 2.09 H new ATOM 0 HB3 TYR A 83 -10.246 7.200 -1.040 1.00 2.09 H new ATOM 0 HD1 TYR A 83 -9.077 7.919 2.460 1.00 2.68 H new ATOM 0 HD2 TYR A 83 -8.655 5.533 -1.097 1.00 2.49 H new ATOM 0 HE1 TYR A 83 -7.661 6.305 3.714 1.00 2.82 H new ATOM 0 HE2 TYR A 83 -7.359 3.847 0.179 1.00 2.50 H new ATOM 0 HH TYR A 83 -6.677 4.286 3.686 1.00 2.37 H new ATOM 1351 N ASN A 84 -8.248 10.503 1.089 1.00 1.76 N ATOM 1352 CA ASN A 84 -8.101 11.633 2.001 1.00 1.50 C ATOM 1353 C ASN A 84 -8.484 12.921 1.264 1.00 1.75 C ATOM 1354 O ASN A 84 -7.707 13.461 0.475 1.00 2.77 O ATOM 1355 CB ASN A 84 -6.671 11.711 2.566 1.00 1.49 C ATOM 1356 CG ASN A 84 -6.355 10.610 3.567 1.00 2.67 C ATOM 1357 OD1 ASN A 84 -7.238 9.980 4.130 1.00 3.94 O ATOM 1358 ND2 ASN A 84 -5.085 10.381 3.836 1.00 2.85 N ATOM 0 H ASN A 84 -7.360 10.089 0.806 1.00 1.76 H new ATOM 0 HA ASN A 84 -8.768 11.498 2.853 1.00 1.50 H new ATOM 0 HB2 ASN A 84 -5.960 11.658 1.742 1.00 1.49 H new ATOM 0 HB3 ASN A 84 -6.531 12.679 3.046 1.00 1.49 H new ATOM 0 HD21 ASN A 84 -4.829 9.670 4.522 1.00 2.85 H new ATOM 0 HD22 ASN A 84 -4.358 10.914 3.359 1.00 2.85 H new ATOM 1365 N ASP A 85 -9.708 13.379 1.506 1.00 1.64 N ATOM 1366 CA ASP A 85 -10.292 14.598 0.924 1.00 1.87 C ATOM 1367 C ASP A 85 -10.703 15.586 2.024 1.00 1.76 C ATOM 1368 O ASP A 85 -10.489 16.785 1.878 1.00 2.08 O ATOM 1369 CB ASP A 85 -11.526 14.197 0.086 1.00 2.59 C ATOM 1370 CG ASP A 85 -11.269 13.062 -0.919 1.00 3.67 C ATOM 1371 OD1 ASP A 85 -10.283 13.151 -1.687 1.00 4.52 O ATOM 1372 OD2 ASP A 85 -12.048 12.080 -0.901 1.00 4.50 O ATOM 0 H ASP A 85 -10.350 12.898 2.136 1.00 1.64 H new ATOM 0 HA ASP A 85 -9.551 15.089 0.294 1.00 1.87 H new ATOM 0 HB2 ASP A 85 -12.326 13.894 0.761 1.00 2.59 H new ATOM 0 HB3 ASP A 85 -11.882 15.073 -0.457 1.00 2.59 H new ATOM 1377 N PHE A 86 -11.233 15.088 3.155 1.00 1.91 N ATOM 1378 CA PHE A 86 -11.686 15.889 4.297 1.00 2.47 C ATOM 1379 C PHE A 86 -10.504 16.363 5.170 1.00 2.28 C ATOM 1380 O PHE A 86 -10.305 15.917 6.295 1.00 2.73 O ATOM 1381 CB PHE A 86 -12.761 15.105 5.070 1.00 3.36 C ATOM 1382 CG PHE A 86 -13.522 15.954 6.070 1.00 4.23 C ATOM 1383 CD1 PHE A 86 -14.516 16.844 5.621 1.00 5.77 C ATOM 1384 CD2 PHE A 86 -13.232 15.875 7.447 1.00 4.55 C ATOM 1385 CE1 PHE A 86 -15.216 17.649 6.538 1.00 7.13 C ATOM 1386 CE2 PHE A 86 -13.929 16.681 8.365 1.00 6.11 C ATOM 1387 CZ PHE A 86 -14.922 17.568 7.910 1.00 7.22 C ATOM 0 H PHE A 86 -11.360 14.086 3.300 1.00 1.91 H new ATOM 0 HA PHE A 86 -12.148 16.810 3.941 1.00 2.47 H new ATOM 0 HB2 PHE A 86 -13.466 14.673 4.360 1.00 3.36 H new ATOM 0 HB3 PHE A 86 -12.288 14.275 5.595 1.00 3.36 H new ATOM 0 HD1 PHE A 86 -14.742 16.909 4.567 1.00 5.77 H new ATOM 0 HD2 PHE A 86 -12.472 15.193 7.799 1.00 4.55 H new ATOM 0 HE1 PHE A 86 -15.979 18.329 6.188 1.00 7.13 H new ATOM 0 HE2 PHE A 86 -13.702 16.619 9.419 1.00 6.11 H new ATOM 0 HZ PHE A 86 -15.458 18.186 8.615 1.00 7.22 H new ATOM 1397 N PHE A 87 -9.724 17.274 4.587 1.00 2.23 N ATOM 1398 CA PHE A 87 -8.576 18.019 5.122 1.00 2.29 C ATOM 1399 C PHE A 87 -8.097 19.041 4.084 1.00 2.10 C ATOM 1400 O PHE A 87 -7.556 20.085 4.439 1.00 2.52 O ATOM 1401 CB PHE A 87 -7.436 17.111 5.640 1.00 2.33 C ATOM 1402 CG PHE A 87 -6.410 16.618 4.627 1.00 2.95 C ATOM 1403 CD1 PHE A 87 -6.799 15.816 3.537 1.00 4.17 C ATOM 1404 CD2 PHE A 87 -5.049 16.933 4.803 1.00 3.80 C ATOM 1405 CE1 PHE A 87 -5.830 15.353 2.628 1.00 5.60 C ATOM 1406 CE2 PHE A 87 -4.083 16.461 3.894 1.00 5.22 C ATOM 1407 CZ PHE A 87 -4.474 15.678 2.800 1.00 5.97 C ATOM 0 H PHE A 87 -9.899 17.540 3.618 1.00 2.23 H new ATOM 0 HA PHE A 87 -8.913 18.556 6.009 1.00 2.29 H new ATOM 0 HB2 PHE A 87 -6.903 17.654 6.421 1.00 2.33 H new ATOM 0 HB3 PHE A 87 -7.889 16.239 6.111 1.00 2.33 H new ATOM 0 HD1 PHE A 87 -7.838 15.557 3.399 1.00 4.17 H new ATOM 0 HD2 PHE A 87 -4.744 17.541 5.642 1.00 3.80 H new ATOM 0 HE1 PHE A 87 -6.131 14.742 1.790 1.00 5.60 H new ATOM 0 HE2 PHE A 87 -3.041 16.703 4.040 1.00 5.22 H new ATOM 0 HZ PHE A 87 -3.737 15.326 2.093 1.00 5.97 H new ATOM 1417 N LEU A 88 -8.362 18.774 2.804 1.00 1.92 N ATOM 1418 CA LEU A 88 -8.390 19.747 1.726 1.00 2.10 C ATOM 1419 C LEU A 88 -9.660 20.609 1.757 1.00 2.60 C ATOM 1420 O LEU A 88 -10.664 20.270 2.382 1.00 3.30 O ATOM 1421 CB LEU A 88 -8.333 18.963 0.403 1.00 2.09 C ATOM 1422 CG LEU A 88 -6.966 18.880 -0.283 1.00 2.66 C ATOM 1423 CD1 LEU A 88 -6.387 20.257 -0.646 1.00 2.82 C ATOM 1424 CD2 LEU A 88 -5.983 18.061 0.561 1.00 3.27 C ATOM 0 H LEU A 88 -8.572 17.829 2.483 1.00 1.92 H new ATOM 0 HA LEU A 88 -7.544 20.425 1.833 1.00 2.10 H new ATOM 0 HB2 LEU A 88 -8.682 17.948 0.593 1.00 2.09 H new ATOM 0 HB3 LEU A 88 -9.037 19.417 -0.294 1.00 2.09 H new ATOM 0 HG LEU A 88 -7.122 18.364 -1.230 1.00 2.66 H new ATOM 0 HD11 LEU A 88 -5.418 20.129 -1.129 1.00 2.82 H new ATOM 0 HD12 LEU A 88 -7.067 20.769 -1.327 1.00 2.82 H new ATOM 0 HD13 LEU A 88 -6.265 20.851 0.260 1.00 2.82 H new ATOM 0 HD21 LEU A 88 -5.019 18.015 0.055 1.00 3.27 H new ATOM 0 HD22 LEU A 88 -5.859 18.533 1.536 1.00 3.27 H new ATOM 0 HD23 LEU A 88 -6.371 17.051 0.694 1.00 3.27 H new ATOM 1517 N GLU B 2 -11.762 -1.322 10.110 1.00 2.60 N ATOM 1518 CA GLU B 2 -10.849 -0.341 10.697 1.00 1.41 C ATOM 1519 C GLU B 2 -9.441 -0.931 10.762 1.00 1.35 C ATOM 1520 O GLU B 2 -8.986 -1.402 11.803 1.00 2.15 O ATOM 1521 CB GLU B 2 -11.395 0.099 12.069 1.00 2.37 C ATOM 1522 CG GLU B 2 -12.589 1.057 11.930 1.00 3.01 C ATOM 1523 CD GLU B 2 -13.735 0.475 11.095 1.00 3.71 C ATOM 1524 OE1 GLU B 2 -14.163 -0.673 11.351 1.00 4.70 O ATOM 1525 OE2 GLU B 2 -14.001 1.013 10.000 1.00 4.42 O ATOM 0 HA GLU B 2 -10.783 0.555 10.079 1.00 1.41 H new ATOM 0 HB2 GLU B 2 -11.699 -0.780 12.638 1.00 2.37 H new ATOM 0 HB3 GLU B 2 -10.602 0.587 12.636 1.00 2.37 H new ATOM 0 HG2 GLU B 2 -12.962 1.308 12.923 1.00 3.01 H new ATOM 0 HG3 GLU B 2 -12.250 1.986 11.472 1.00 3.01 H new ATOM 1532 N THR B 3 -8.758 -0.867 9.620 1.00 1.01 N ATOM 1533 CA THR B 3 -7.584 -1.682 9.271 1.00 1.13 C ATOM 1534 C THR B 3 -6.340 -1.284 10.069 1.00 1.02 C ATOM 1535 O THR B 3 -6.211 -0.095 10.391 1.00 1.05 O ATOM 1536 CB THR B 3 -7.313 -1.693 7.748 1.00 1.46 C ATOM 1537 OG1 THR B 3 -6.174 -0.947 7.409 1.00 1.72 O ATOM 1538 CG2 THR B 3 -8.459 -1.160 6.877 1.00 2.23 C ATOM 0 H THR B 3 -9.015 -0.218 8.876 1.00 1.01 H new ATOM 0 HA THR B 3 -7.825 -2.706 9.558 1.00 1.13 H new ATOM 0 HB THR B 3 -7.181 -2.754 7.538 1.00 1.46 H new ATOM 0 HG1 THR B 3 -5.803 -1.281 6.566 1.00 1.72 H new ATOM 0 HG21 THR B 3 -8.171 -1.209 5.827 1.00 2.23 H new ATOM 0 HG22 THR B 3 -9.350 -1.766 7.038 1.00 2.23 H new ATOM 0 HG23 THR B 3 -8.670 -0.125 7.147 1.00 2.23 H new ATOM 1546 N PRO B 4 -5.442 -2.223 10.430 1.00 1.06 N ATOM 1547 CA PRO B 4 -4.223 -1.893 11.156 1.00 1.12 C ATOM 1548 C PRO B 4 -3.218 -1.121 10.294 1.00 1.02 C ATOM 1549 O PRO B 4 -2.581 -0.212 10.827 1.00 1.10 O ATOM 1550 CB PRO B 4 -3.661 -3.225 11.665 1.00 1.33 C ATOM 1551 CG PRO B 4 -4.243 -4.267 10.717 1.00 1.32 C ATOM 1552 CD PRO B 4 -5.594 -3.668 10.317 1.00 1.18 C ATOM 0 HA PRO B 4 -4.434 -1.219 11.986 1.00 1.12 H new ATOM 0 HB2 PRO B 4 -2.571 -3.231 11.642 1.00 1.33 H new ATOM 0 HB3 PRO B 4 -3.960 -3.415 12.696 1.00 1.33 H new ATOM 0 HG2 PRO B 4 -3.601 -4.425 9.850 1.00 1.32 H new ATOM 0 HG3 PRO B 4 -4.361 -5.234 11.206 1.00 1.32 H new ATOM 0 HD2 PRO B 4 -5.862 -3.954 9.300 1.00 1.18 H new ATOM 0 HD3 PRO B 4 -6.389 -4.029 10.969 1.00 1.18 H new ATOM 1560 N LEU B 5 -3.078 -1.400 8.990 1.00 0.94 N ATOM 1561 CA LEU B 5 -2.167 -0.644 8.121 1.00 0.89 C ATOM 1562 C LEU B 5 -2.683 0.775 7.857 1.00 0.79 C ATOM 1563 O LEU B 5 -1.885 1.707 7.889 1.00 0.84 O ATOM 1564 CB LEU B 5 -1.908 -1.449 6.836 1.00 0.96 C ATOM 1565 CG LEU B 5 -0.591 -1.145 6.102 1.00 1.26 C ATOM 1566 CD1 LEU B 5 -0.383 -2.224 5.022 1.00 2.08 C ATOM 1567 CD2 LEU B 5 -0.536 0.219 5.419 1.00 2.40 C ATOM 0 H LEU B 5 -3.586 -2.146 8.514 1.00 0.94 H new ATOM 0 HA LEU B 5 -1.210 -0.508 8.625 1.00 0.89 H new ATOM 0 HB2 LEU B 5 -1.925 -2.510 7.086 1.00 0.96 H new ATOM 0 HB3 LEU B 5 -2.734 -1.271 6.147 1.00 0.96 H new ATOM 0 HG LEU B 5 0.188 -1.140 6.865 1.00 1.26 H new ATOM 0 HD11 LEU B 5 0.547 -2.029 4.487 1.00 2.08 H new ATOM 0 HD12 LEU B 5 -0.331 -3.205 5.493 1.00 2.08 H new ATOM 0 HD13 LEU B 5 -1.217 -2.202 4.320 1.00 2.08 H new ATOM 0 HD21 LEU B 5 0.430 0.342 4.929 1.00 2.40 H new ATOM 0 HD22 LEU B 5 -1.331 0.286 4.676 1.00 2.40 H new ATOM 0 HD23 LEU B 5 -0.668 1.004 6.163 1.00 2.40 H new ATOM 1579 N GLU B 6 -3.996 0.998 7.741 1.00 0.78 N ATOM 1580 CA GLU B 6 -4.541 2.362 7.746 1.00 0.85 C ATOM 1581 C GLU B 6 -4.193 3.075 9.067 1.00 0.80 C ATOM 1582 O GLU B 6 -3.848 4.246 9.040 1.00 0.89 O ATOM 1583 CB GLU B 6 -6.044 2.364 7.410 1.00 1.07 C ATOM 1584 CG GLU B 6 -6.721 3.749 7.378 1.00 1.72 C ATOM 1585 CD GLU B 6 -6.029 4.785 6.478 1.00 3.05 C ATOM 1586 OE1 GLU B 6 -6.228 4.752 5.241 1.00 4.27 O ATOM 1587 OE2 GLU B 6 -5.311 5.636 7.048 1.00 3.91 O ATOM 0 H GLU B 6 -4.695 0.262 7.643 1.00 0.78 H new ATOM 0 HA GLU B 6 -4.068 2.942 6.953 1.00 0.85 H new ATOM 0 HB2 GLU B 6 -6.181 1.891 6.438 1.00 1.07 H new ATOM 0 HB3 GLU B 6 -6.562 1.744 8.142 1.00 1.07 H new ATOM 0 HG2 GLU B 6 -7.751 3.627 7.042 1.00 1.72 H new ATOM 0 HG3 GLU B 6 -6.762 4.141 8.394 1.00 1.72 H new ATOM 1594 N LYS B 7 -4.094 2.401 10.226 1.00 0.78 N ATOM 1595 CA LYS B 7 -3.495 3.086 11.403 1.00 0.89 C ATOM 1596 C LYS B 7 -2.074 3.632 11.153 1.00 0.92 C ATOM 1597 O LYS B 7 -1.738 4.676 11.721 1.00 1.11 O ATOM 1598 CB LYS B 7 -3.505 2.247 12.695 1.00 1.07 C ATOM 1599 CG LYS B 7 -4.823 1.577 13.019 1.00 1.20 C ATOM 1600 CD LYS B 7 -5.964 2.592 13.061 1.00 1.92 C ATOM 1601 CE LYS B 7 -7.190 1.822 13.505 1.00 2.78 C ATOM 1602 NZ LYS B 7 -7.741 1.045 12.373 1.00 3.79 N ATOM 0 H LYS B 7 -4.398 1.440 10.379 1.00 0.78 H new ATOM 0 HA LYS B 7 -4.162 3.935 11.552 1.00 0.89 H new ATOM 0 HB2 LYS B 7 -2.735 1.479 12.616 1.00 1.07 H new ATOM 0 HB3 LYS B 7 -3.229 2.891 13.530 1.00 1.07 H new ATOM 0 HG2 LYS B 7 -5.039 0.814 12.271 1.00 1.20 H new ATOM 0 HG3 LYS B 7 -4.749 1.069 13.981 1.00 1.20 H new ATOM 0 HD2 LYS B 7 -5.740 3.403 13.754 1.00 1.92 H new ATOM 0 HD3 LYS B 7 -6.120 3.044 12.082 1.00 1.92 H new ATOM 0 HE2 LYS B 7 -6.931 1.151 14.324 1.00 2.78 H new ATOM 0 HE3 LYS B 7 -7.944 2.511 13.884 1.00 2.78 H new ATOM 0 HZ1 LYS B 7 -8.113 0.139 12.722 1.00 3.79 H new ATOM 0 HZ2 LYS B 7 -8.509 1.584 11.923 1.00 3.79 H new ATOM 0 HZ3 LYS B 7 -6.990 0.866 11.677 1.00 3.79 H new ATOM 1616 N ALA B 8 -1.261 2.997 10.302 1.00 0.83 N ATOM 1617 CA ALA B 8 0.035 3.537 9.893 1.00 0.84 C ATOM 1618 C ALA B 8 -0.137 4.791 9.028 1.00 0.74 C ATOM 1619 O ALA B 8 0.409 5.829 9.393 1.00 0.76 O ATOM 1620 CB ALA B 8 0.884 2.460 9.203 1.00 0.94 C ATOM 0 H ALA B 8 -1.485 2.096 9.879 1.00 0.83 H new ATOM 0 HA ALA B 8 0.577 3.845 10.787 1.00 0.84 H new ATOM 0 HB1 ALA B 8 1.843 2.886 8.908 1.00 0.94 H new ATOM 0 HB2 ALA B 8 1.051 1.632 9.892 1.00 0.94 H new ATOM 0 HB3 ALA B 8 0.361 2.096 8.318 1.00 0.94 H new ATOM 1626 N LEU B 9 -0.924 4.729 7.942 1.00 0.71 N ATOM 1627 CA LEU B 9 -1.207 5.899 7.077 1.00 0.74 C ATOM 1628 C LEU B 9 -1.849 7.067 7.852 1.00 0.80 C ATOM 1629 O LEU B 9 -1.289 8.170 7.861 1.00 0.80 O ATOM 1630 CB LEU B 9 -2.106 5.498 5.890 1.00 0.73 C ATOM 1631 CG LEU B 9 -1.438 4.840 4.667 1.00 0.70 C ATOM 1632 CD1 LEU B 9 -0.404 5.758 3.995 1.00 0.84 C ATOM 1633 CD2 LEU B 9 -0.803 3.494 5.015 1.00 0.69 C ATOM 0 H LEU B 9 -1.384 3.872 7.635 1.00 0.71 H new ATOM 0 HA LEU B 9 -0.245 6.246 6.700 1.00 0.74 H new ATOM 0 HB2 LEU B 9 -2.867 4.813 6.264 1.00 0.73 H new ATOM 0 HB3 LEU B 9 -2.624 6.393 5.546 1.00 0.73 H new ATOM 0 HG LEU B 9 -2.241 4.664 3.951 1.00 0.70 H new ATOM 0 HD11 LEU B 9 0.036 5.245 3.140 1.00 0.84 H new ATOM 0 HD12 LEU B 9 -0.893 6.672 3.658 1.00 0.84 H new ATOM 0 HD13 LEU B 9 0.379 6.008 4.710 1.00 0.84 H new ATOM 0 HD21 LEU B 9 -0.344 3.067 4.123 1.00 0.69 H new ATOM 0 HD22 LEU B 9 -0.041 3.638 5.781 1.00 0.69 H new ATOM 0 HD23 LEU B 9 -1.570 2.816 5.389 1.00 0.69 H new ATOM 1645 N THR B 10 -2.944 6.800 8.579 1.00 0.87 N ATOM 1646 CA THR B 10 -3.598 7.735 9.509 1.00 0.90 C ATOM 1647 C THR B 10 -2.583 8.376 10.448 1.00 0.87 C ATOM 1648 O THR B 10 -2.590 9.598 10.588 1.00 0.90 O ATOM 1649 CB THR B 10 -4.703 7.015 10.287 1.00 0.98 C ATOM 1650 OG1 THR B 10 -5.772 6.691 9.431 1.00 1.42 O ATOM 1651 CG2 THR B 10 -5.317 7.883 11.388 1.00 1.20 C ATOM 0 H THR B 10 -3.415 5.897 8.535 1.00 0.87 H new ATOM 0 HA THR B 10 -4.054 8.539 8.931 1.00 0.90 H new ATOM 0 HB THR B 10 -4.225 6.136 10.719 1.00 0.98 H new ATOM 0 HG1 THR B 10 -5.420 6.345 8.584 1.00 1.42 H new ATOM 0 HG21 THR B 10 -6.094 7.320 11.905 1.00 1.20 H new ATOM 0 HG22 THR B 10 -4.543 8.170 12.099 1.00 1.20 H new ATOM 0 HG23 THR B 10 -5.752 8.779 10.945 1.00 1.20 H new ATOM 1659 N THR B 11 -1.660 7.610 11.051 1.00 0.83 N ATOM 1660 CA THR B 11 -0.638 8.180 11.948 1.00 0.81 C ATOM 1661 C THR B 11 0.364 9.043 11.188 1.00 0.76 C ATOM 1662 O THR B 11 0.657 10.142 11.654 1.00 0.81 O ATOM 1663 CB THR B 11 0.059 7.110 12.789 1.00 0.76 C ATOM 1664 OG1 THR B 11 -0.919 6.433 13.538 1.00 0.98 O ATOM 1665 CG2 THR B 11 1.031 7.715 13.796 1.00 0.91 C ATOM 0 H THR B 11 -1.599 6.598 10.935 1.00 0.83 H new ATOM 0 HA THR B 11 -1.164 8.832 12.645 1.00 0.81 H new ATOM 0 HB THR B 11 0.604 6.458 12.107 1.00 0.76 H new ATOM 0 HG1 THR B 11 -1.506 5.932 12.933 1.00 0.98 H new ATOM 0 HG21 THR B 11 1.502 6.918 14.371 1.00 0.91 H new ATOM 0 HG22 THR B 11 1.797 8.283 13.267 1.00 0.91 H new ATOM 0 HG23 THR B 11 0.490 8.378 14.471 1.00 0.91 H new ATOM 1673 N MET B 12 0.838 8.620 10.008 1.00 0.73 N ATOM 1674 CA MET B 12 1.720 9.419 9.137 1.00 0.77 C ATOM 1675 C MET B 12 1.089 10.758 8.755 1.00 0.87 C ATOM 1676 O MET B 12 1.758 11.785 8.863 1.00 0.97 O ATOM 1677 CB MET B 12 2.094 8.660 7.852 1.00 0.79 C ATOM 1678 CG MET B 12 3.064 7.514 8.109 1.00 0.79 C ATOM 1679 SD MET B 12 3.448 6.573 6.614 1.00 0.98 S ATOM 1680 CE MET B 12 5.179 6.144 6.931 1.00 0.86 C ATOM 0 H MET B 12 0.618 7.701 9.624 1.00 0.73 H new ATOM 0 HA MET B 12 2.623 9.606 9.718 1.00 0.77 H new ATOM 0 HB2 MET B 12 1.188 8.268 7.390 1.00 0.79 H new ATOM 0 HB3 MET B 12 2.539 9.355 7.140 1.00 0.79 H new ATOM 0 HG2 MET B 12 3.987 7.913 8.529 1.00 0.79 H new ATOM 0 HG3 MET B 12 2.638 6.844 8.855 1.00 0.79 H new ATOM 0 HE1 MET B 12 5.716 6.076 5.985 1.00 0.86 H new ATOM 0 HE2 MET B 12 5.636 6.913 7.553 1.00 0.86 H new ATOM 0 HE3 MET B 12 5.228 5.185 7.446 1.00 0.86 H new ATOM 1690 N VAL B 13 -0.191 10.775 8.367 1.00 0.86 N ATOM 1691 CA VAL B 13 -0.869 12.044 8.024 1.00 0.95 C ATOM 1692 C VAL B 13 -1.155 12.891 9.271 1.00 0.94 C ATOM 1693 O VAL B 13 -1.009 14.113 9.209 1.00 1.00 O ATOM 1694 CB VAL B 13 -2.133 11.869 7.148 1.00 1.07 C ATOM 1695 CG1 VAL B 13 -1.762 11.218 5.804 1.00 1.16 C ATOM 1696 CG2 VAL B 13 -3.269 11.085 7.810 1.00 1.10 C ATOM 0 H VAL B 13 -0.776 9.944 8.281 1.00 0.86 H new ATOM 0 HA VAL B 13 -0.160 12.589 7.401 1.00 0.95 H new ATOM 0 HB VAL B 13 -2.520 12.876 6.995 1.00 1.07 H new ATOM 0 HG11 VAL B 13 -2.659 11.100 5.197 1.00 1.16 H new ATOM 0 HG12 VAL B 13 -1.048 11.852 5.278 1.00 1.16 H new ATOM 0 HG13 VAL B 13 -1.315 10.240 5.984 1.00 1.16 H new ATOM 0 HG21 VAL B 13 -4.111 11.014 7.122 1.00 1.10 H new ATOM 0 HG22 VAL B 13 -2.921 10.083 8.063 1.00 1.10 H new ATOM 0 HG23 VAL B 13 -3.585 11.599 8.718 1.00 1.10 H new ATOM 1706 N THR B 14 -1.471 12.268 10.417 1.00 0.88 N ATOM 1707 CA THR B 14 -1.705 12.967 11.695 1.00 0.90 C ATOM 1708 C THR B 14 -0.442 13.659 12.201 1.00 0.84 C ATOM 1709 O THR B 14 -0.509 14.816 12.617 1.00 0.98 O ATOM 1710 CB THR B 14 -2.243 11.992 12.746 1.00 0.91 C ATOM 1711 OG1 THR B 14 -3.469 11.494 12.284 1.00 1.17 O ATOM 1712 CG2 THR B 14 -2.527 12.660 14.091 1.00 1.07 C ATOM 0 H THR B 14 -1.573 11.255 10.486 1.00 0.88 H new ATOM 0 HA THR B 14 -2.452 13.740 11.517 1.00 0.90 H new ATOM 0 HB THR B 14 -1.484 11.223 12.891 1.00 0.91 H new ATOM 0 HG1 THR B 14 -3.317 10.669 11.778 1.00 1.17 H new ATOM 0 HG21 THR B 14 -2.906 11.917 14.793 1.00 1.07 H new ATOM 0 HG22 THR B 14 -1.607 13.094 14.483 1.00 1.07 H new ATOM 0 HG23 THR B 14 -3.271 13.445 13.957 1.00 1.07 H new ATOM 1720 N THR B 15 0.706 12.981 12.125 1.00 0.72 N ATOM 1721 CA THR B 15 2.030 13.510 12.512 1.00 0.71 C ATOM 1722 C THR B 15 2.516 14.583 11.544 1.00 0.74 C ATOM 1723 O THR B 15 2.995 15.607 12.009 1.00 0.90 O ATOM 1724 CB THR B 15 3.085 12.402 12.628 1.00 0.74 C ATOM 1725 OG1 THR B 15 2.948 11.502 11.563 1.00 1.68 O ATOM 1726 CG2 THR B 15 2.968 11.610 13.930 1.00 1.08 C ATOM 0 H THR B 15 0.749 12.021 11.784 1.00 0.72 H new ATOM 0 HA THR B 15 1.898 13.961 13.496 1.00 0.71 H new ATOM 0 HB THR B 15 4.056 12.896 12.610 1.00 0.74 H new ATOM 0 HG1 THR B 15 2.250 10.848 11.775 1.00 1.68 H new ATOM 0 HG21 THR B 15 3.739 10.840 13.958 1.00 1.08 H new ATOM 0 HG22 THR B 15 3.096 12.283 14.778 1.00 1.08 H new ATOM 0 HG23 THR B 15 1.985 11.142 13.984 1.00 1.08 H new ATOM 1734 N PHE B 16 2.319 14.421 10.234 1.00 0.68 N ATOM 1735 CA PHE B 16 2.670 15.440 9.233 1.00 0.70 C ATOM 1736 C PHE B 16 1.800 16.700 9.361 1.00 0.69 C ATOM 1737 O PHE B 16 2.315 17.824 9.343 1.00 0.71 O ATOM 1738 CB PHE B 16 2.542 14.786 7.845 1.00 0.78 C ATOM 1739 CG PHE B 16 2.823 15.644 6.621 1.00 0.77 C ATOM 1740 CD1 PHE B 16 1.847 16.547 6.155 1.00 1.60 C ATOM 1741 CD2 PHE B 16 4.010 15.469 5.881 1.00 1.83 C ATOM 1742 CE1 PHE B 16 2.056 17.264 4.966 1.00 1.66 C ATOM 1743 CE2 PHE B 16 4.202 16.161 4.670 1.00 1.79 C ATOM 1744 CZ PHE B 16 3.221 17.057 4.206 1.00 0.80 C ATOM 0 H PHE B 16 1.910 13.577 9.832 1.00 0.68 H new ATOM 0 HA PHE B 16 3.693 15.783 9.392 1.00 0.70 H new ATOM 0 HB2 PHE B 16 3.218 13.931 7.815 1.00 0.78 H new ATOM 0 HB3 PHE B 16 1.529 14.395 7.753 1.00 0.78 H new ATOM 0 HD1 PHE B 16 0.934 16.688 6.715 1.00 1.60 H new ATOM 0 HD2 PHE B 16 4.776 14.801 6.245 1.00 1.83 H new ATOM 0 HE1 PHE B 16 1.318 17.979 4.633 1.00 1.66 H new ATOM 0 HE2 PHE B 16 5.103 16.004 4.096 1.00 1.79 H new ATOM 0 HZ PHE B 16 3.362 17.582 3.273 1.00 0.80 H new ATOM 1754 N HIS B 17 0.483 16.539 9.541 1.00 0.72 N ATOM 1755 CA HIS B 17 -0.435 17.657 9.782 1.00 0.70 C ATOM 1756 C HIS B 17 -0.040 18.447 11.044 1.00 0.67 C ATOM 1757 O HIS B 17 -0.214 19.663 11.079 1.00 0.85 O ATOM 1758 CB HIS B 17 -1.876 17.131 9.869 1.00 0.76 C ATOM 1759 CG HIS B 17 -2.951 18.201 9.881 1.00 1.02 C ATOM 1760 ND1 HIS B 17 -2.911 19.433 10.498 1.00 2.21 N ATOM 1761 CD2 HIS B 17 -4.174 18.111 9.274 1.00 1.29 C ATOM 1762 CE1 HIS B 17 -4.073 20.064 10.267 1.00 2.34 C ATOM 1763 NE2 HIS B 17 -4.875 19.298 9.518 1.00 1.73 N ATOM 0 H HIS B 17 0.024 15.628 9.523 1.00 0.72 H new ATOM 0 HA HIS B 17 -0.370 18.353 8.945 1.00 0.70 H new ATOM 0 HB2 HIS B 17 -2.056 16.467 9.024 1.00 0.76 H new ATOM 0 HB3 HIS B 17 -1.973 16.530 10.773 1.00 0.76 H new ATOM 0 HD1 HIS B 17 -2.130 19.803 11.039 1.00 2.21 H new ATOM 0 HD2 HIS B 17 -4.537 17.268 8.704 1.00 1.29 H new ATOM 0 HE1 HIS B 17 -4.325 21.048 10.633 1.00 2.34 H new ATOM 1772 N LYS B 18 0.528 17.800 12.066 1.00 0.64 N ATOM 1773 CA LYS B 18 0.897 18.457 13.324 1.00 0.70 C ATOM 1774 C LYS B 18 1.942 19.583 13.163 1.00 0.72 C ATOM 1775 O LYS B 18 1.960 20.494 13.990 1.00 0.95 O ATOM 1776 CB LYS B 18 1.343 17.366 14.318 1.00 0.87 C ATOM 1777 CG LYS B 18 1.493 17.894 15.749 1.00 1.23 C ATOM 1778 CD LYS B 18 1.835 16.774 16.740 1.00 2.28 C ATOM 1779 CE LYS B 18 1.928 17.314 18.174 1.00 3.28 C ATOM 1780 NZ LYS B 18 0.605 17.754 18.693 1.00 4.77 N ATOM 0 H LYS B 18 0.745 16.804 12.044 1.00 0.64 H new ATOM 0 HA LYS B 18 0.023 18.979 13.713 1.00 0.70 H new ATOM 0 HB2 LYS B 18 0.616 16.554 14.309 1.00 0.87 H new ATOM 0 HB3 LYS B 18 2.294 16.947 13.988 1.00 0.87 H new ATOM 0 HG2 LYS B 18 2.275 18.653 15.776 1.00 1.23 H new ATOM 0 HG3 LYS B 18 0.567 18.379 16.056 1.00 1.23 H new ATOM 0 HD2 LYS B 18 1.074 15.995 16.690 1.00 2.28 H new ATOM 0 HD3 LYS B 18 2.782 16.313 16.460 1.00 2.28 H new ATOM 0 HE2 LYS B 18 2.334 16.541 18.826 1.00 3.28 H new ATOM 0 HE3 LYS B 18 2.624 18.152 18.201 1.00 3.28 H new ATOM 0 HZ1 LYS B 18 0.680 17.951 19.711 1.00 4.77 H new ATOM 0 HZ2 LYS B 18 0.306 18.616 18.195 1.00 4.77 H new ATOM 0 HZ3 LYS B 18 -0.097 17.003 18.536 1.00 4.77 H new ATOM 1794 N TYR B 19 2.784 19.543 12.123 1.00 0.70 N ATOM 1795 CA TYR B 19 3.841 20.540 11.865 1.00 0.92 C ATOM 1796 C TYR B 19 3.595 21.346 10.578 1.00 1.10 C ATOM 1797 O TYR B 19 3.958 22.515 10.516 1.00 1.70 O ATOM 1798 CB TYR B 19 5.203 19.833 11.827 1.00 1.07 C ATOM 1799 CG TYR B 19 5.576 19.144 13.128 1.00 1.04 C ATOM 1800 CD1 TYR B 19 4.997 17.903 13.437 1.00 1.80 C ATOM 1801 CD2 TYR B 19 6.500 19.715 14.026 1.00 2.20 C ATOM 1802 CE1 TYR B 19 5.297 17.243 14.638 1.00 1.95 C ATOM 1803 CE2 TYR B 19 6.838 19.045 15.219 1.00 2.16 C ATOM 1804 CZ TYR B 19 6.231 17.808 15.534 1.00 1.20 C ATOM 1805 OH TYR B 19 6.548 17.152 16.683 1.00 1.35 O ATOM 0 H TYR B 19 2.752 18.804 11.421 1.00 0.70 H new ATOM 0 HA TYR B 19 3.828 21.265 12.678 1.00 0.92 H new ATOM 0 HB2 TYR B 19 5.196 19.094 11.025 1.00 1.07 H new ATOM 0 HB3 TYR B 19 5.974 20.563 11.580 1.00 1.07 H new ATOM 0 HD1 TYR B 19 4.309 17.449 12.739 1.00 1.80 H new ATOM 0 HD2 TYR B 19 6.951 20.670 13.799 1.00 2.20 H new ATOM 0 HE1 TYR B 19 4.815 16.306 14.877 1.00 1.95 H new ATOM 0 HE2 TYR B 19 7.562 19.477 15.894 1.00 2.16 H new ATOM 0 HH TYR B 19 7.206 17.675 17.187 1.00 1.35 H new ATOM 1815 N SER B 20 2.898 20.778 9.594 1.00 0.96 N ATOM 1816 CA SER B 20 2.326 21.522 8.460 1.00 1.05 C ATOM 1817 C SER B 20 1.282 22.543 8.946 1.00 1.29 C ATOM 1818 O SER B 20 1.397 23.749 8.708 1.00 1.96 O ATOM 1819 CB SER B 20 1.681 20.487 7.521 1.00 0.98 C ATOM 1820 OG SER B 20 1.029 21.050 6.398 1.00 2.21 O ATOM 0 H SER B 20 2.710 19.776 9.557 1.00 0.96 H new ATOM 0 HA SER B 20 3.101 22.085 7.939 1.00 1.05 H new ATOM 0 HB2 SER B 20 2.451 19.799 7.173 1.00 0.98 H new ATOM 0 HB3 SER B 20 0.960 19.898 8.088 1.00 0.98 H new ATOM 0 HG SER B 20 1.697 21.324 5.735 1.00 2.21 H new ATOM 1826 N GLY B 21 0.278 22.047 9.684 1.00 1.04 N ATOM 1827 CA GLY B 21 -0.888 22.792 10.160 1.00 1.23 C ATOM 1828 C GLY B 21 -0.602 23.690 11.357 1.00 1.53 C ATOM 1829 O GLY B 21 -1.541 24.227 11.936 1.00 1.75 O ATOM 0 H GLY B 21 0.260 21.070 9.977 1.00 1.04 H new ATOM 0 HA2 GLY B 21 -1.274 23.403 9.344 1.00 1.23 H new ATOM 0 HA3 GLY B 21 -1.673 22.085 10.428 1.00 1.23 H new ATOM 1832 N ARG B 22 0.678 23.883 11.702 1.00 1.92 N ATOM 1833 CA ARG B 22 1.110 25.021 12.506 1.00 2.29 C ATOM 1834 C ARG B 22 0.849 26.344 11.766 1.00 2.51 C ATOM 1835 O ARG B 22 0.470 27.323 12.400 1.00 3.02 O ATOM 1836 CB ARG B 22 2.588 24.867 12.869 1.00 2.38 C ATOM 1837 CG ARG B 22 2.916 25.826 14.025 1.00 2.79 C ATOM 1838 CD ARG B 22 4.359 25.666 14.486 1.00 2.96 C ATOM 1839 NE ARG B 22 5.326 25.989 13.436 1.00 2.60 N ATOM 1840 CZ ARG B 22 5.516 27.139 12.809 1.00 3.19 C ATOM 1841 NH1 ARG B 22 4.953 28.264 13.197 1.00 4.17 N ATOM 1842 NH2 ARG B 22 6.274 27.135 11.741 1.00 3.88 N ATOM 0 H ARG B 22 1.435 23.255 11.431 1.00 1.92 H new ATOM 0 HA ARG B 22 0.529 25.045 13.428 1.00 2.29 H new ATOM 0 HB2 ARG B 22 2.800 23.838 13.160 1.00 2.38 H new ATOM 0 HB3 ARG B 22 3.214 25.089 12.005 1.00 2.38 H new ATOM 0 HG2 ARG B 22 2.746 26.854 13.706 1.00 2.79 H new ATOM 0 HG3 ARG B 22 2.242 25.636 14.860 1.00 2.79 H new ATOM 0 HD2 ARG B 22 4.535 26.311 15.347 1.00 2.96 H new ATOM 0 HD3 ARG B 22 4.518 24.640 14.818 1.00 2.96 H new ATOM 0 HE ARG B 22 5.936 25.224 13.148 1.00 2.60 H new ATOM 0 HH11 ARG B 22 4.341 28.273 14.013 1.00 4.17 H new ATOM 0 HH12 ARG B 22 5.129 29.127 12.682 1.00 4.17 H new ATOM 0 HH21 ARG B 22 6.696 26.264 11.418 1.00 3.88 H new ATOM 0 HH22 ARG B 22 6.443 28.003 11.232 1.00 3.88 H new ATOM 1856 N GLU B 23 1.078 26.364 10.448 1.00 2.33 N ATOM 1857 CA GLU B 23 0.922 27.550 9.592 1.00 2.68 C ATOM 1858 C GLU B 23 0.077 27.241 8.334 1.00 2.50 C ATOM 1859 O GLU B 23 -1.120 26.986 8.458 1.00 3.08 O ATOM 1860 CB GLU B 23 2.310 28.182 9.311 1.00 3.14 C ATOM 1861 CG GLU B 23 2.836 28.900 10.565 1.00 3.96 C ATOM 1862 CD GLU B 23 4.282 29.384 10.497 1.00 4.66 C ATOM 1863 OE1 GLU B 23 5.109 28.768 9.789 1.00 4.78 O ATOM 1864 OE2 GLU B 23 4.625 30.248 11.334 1.00 5.78 O ATOM 0 H GLU B 23 1.384 25.538 9.933 1.00 2.33 H new ATOM 0 HA GLU B 23 0.344 28.311 10.117 1.00 2.68 H new ATOM 0 HB2 GLU B 23 3.014 27.408 9.005 1.00 3.14 H new ATOM 0 HB3 GLU B 23 2.234 28.889 8.484 1.00 3.14 H new ATOM 0 HG2 GLU B 23 2.195 29.758 10.765 1.00 3.96 H new ATOM 0 HG3 GLU B 23 2.739 28.225 11.415 1.00 3.96 H new ATOM 1871 N GLY B 24 0.642 27.334 7.122 1.00 2.63 N ATOM 1872 CA GLY B 24 -0.118 27.662 5.901 1.00 2.74 C ATOM 1873 C GLY B 24 -0.749 26.510 5.112 1.00 2.24 C ATOM 1874 O GLY B 24 -1.261 26.745 4.020 1.00 2.64 O ATOM 0 H GLY B 24 1.637 27.185 6.957 1.00 2.63 H new ATOM 0 HA2 GLY B 24 -0.915 28.351 6.180 1.00 2.74 H new ATOM 0 HA3 GLY B 24 0.549 28.201 5.228 1.00 2.74 H new ATOM 1877 N SER B 25 -0.722 25.276 5.600 1.00 2.30 N ATOM 1878 CA SER B 25 -1.174 24.094 4.850 1.00 2.03 C ATOM 1879 C SER B 25 -1.355 22.890 5.781 1.00 2.00 C ATOM 1880 O SER B 25 -0.851 22.875 6.895 1.00 2.84 O ATOM 1881 CB SER B 25 -0.178 23.774 3.718 1.00 2.28 C ATOM 1882 OG SER B 25 -0.488 22.583 3.002 1.00 2.83 O ATOM 0 H SER B 25 -0.383 25.058 6.537 1.00 2.30 H new ATOM 0 HA SER B 25 -2.144 24.314 4.405 1.00 2.03 H new ATOM 0 HB2 SER B 25 -0.154 24.611 3.020 1.00 2.28 H new ATOM 0 HB3 SER B 25 0.822 23.683 4.141 1.00 2.28 H new ATOM 0 HG SER B 25 0.189 22.432 2.310 1.00 2.83 H new ATOM 1888 N LYS B 26 -2.043 21.842 5.319 1.00 1.46 N ATOM 1889 CA LYS B 26 -2.160 20.546 6.010 1.00 1.33 C ATOM 1890 C LYS B 26 -1.716 19.359 5.120 1.00 1.11 C ATOM 1891 O LYS B 26 -1.773 18.204 5.540 1.00 1.28 O ATOM 1892 CB LYS B 26 -3.570 20.388 6.615 1.00 1.44 C ATOM 1893 CG LYS B 26 -4.762 20.872 5.776 1.00 1.90 C ATOM 1894 CD LYS B 26 -5.055 22.376 5.957 1.00 1.77 C ATOM 1895 CE LYS B 26 -5.423 23.037 4.626 1.00 2.45 C ATOM 1896 NZ LYS B 26 -6.817 22.769 4.227 1.00 2.60 N ATOM 0 H LYS B 26 -2.548 21.868 4.433 1.00 1.46 H new ATOM 0 HA LYS B 26 -1.458 20.532 6.844 1.00 1.33 H new ATOM 0 HB2 LYS B 26 -3.723 19.332 6.839 1.00 1.44 H new ATOM 0 HB3 LYS B 26 -3.589 20.921 7.565 1.00 1.44 H new ATOM 0 HG2 LYS B 26 -4.564 20.670 4.723 1.00 1.90 H new ATOM 0 HG3 LYS B 26 -5.648 20.299 6.049 1.00 1.90 H new ATOM 0 HD2 LYS B 26 -5.871 22.506 6.668 1.00 1.77 H new ATOM 0 HD3 LYS B 26 -4.181 22.870 6.381 1.00 1.77 H new ATOM 0 HE2 LYS B 26 -5.272 24.114 4.705 1.00 2.45 H new ATOM 0 HE3 LYS B 26 -4.750 22.677 3.847 1.00 2.45 H new ATOM 0 HZ1 LYS B 26 -6.980 23.136 3.268 1.00 2.60 H new ATOM 0 HZ2 LYS B 26 -6.991 21.744 4.239 1.00 2.60 H new ATOM 0 HZ3 LYS B 26 -7.465 23.238 4.892 1.00 2.60 H new ATOM 1910 N LEU B 27 -1.257 19.659 3.896 1.00 1.03 N ATOM 1911 CA LEU B 27 -0.874 18.712 2.838 1.00 1.01 C ATOM 1912 C LEU B 27 0.557 18.938 2.303 1.00 0.91 C ATOM 1913 O LEU B 27 1.068 18.073 1.590 1.00 1.04 O ATOM 1914 CB LEU B 27 -1.914 18.777 1.695 1.00 1.37 C ATOM 1915 CG LEU B 27 -2.204 20.177 1.099 1.00 2.82 C ATOM 1916 CD1 LEU B 27 -2.550 20.055 -0.389 1.00 3.35 C ATOM 1917 CD2 LEU B 27 -3.370 20.881 1.823 1.00 4.20 C ATOM 0 H LEU B 27 -1.136 20.628 3.600 1.00 1.03 H new ATOM 0 HA LEU B 27 -0.867 17.714 3.277 1.00 1.01 H new ATOM 0 HB2 LEU B 27 -1.575 18.127 0.888 1.00 1.37 H new ATOM 0 HB3 LEU B 27 -2.852 18.363 2.064 1.00 1.37 H new ATOM 0 HG LEU B 27 -1.302 20.775 1.232 1.00 2.82 H new ATOM 0 HD11 LEU B 27 -2.752 21.045 -0.798 1.00 3.35 H new ATOM 0 HD12 LEU B 27 -1.712 19.606 -0.922 1.00 3.35 H new ATOM 0 HD13 LEU B 27 -3.433 19.427 -0.507 1.00 3.35 H new ATOM 0 HD21 LEU B 27 -3.540 21.859 1.373 1.00 4.20 H new ATOM 0 HD22 LEU B 27 -4.273 20.278 1.731 1.00 4.20 H new ATOM 0 HD23 LEU B 27 -3.122 21.004 2.877 1.00 4.20 H new ATOM 1929 N THR B 28 1.181 20.062 2.671 1.00 0.85 N ATOM 1930 CA THR B 28 2.496 20.508 2.221 1.00 0.83 C ATOM 1931 C THR B 28 3.193 21.309 3.316 1.00 0.93 C ATOM 1932 O THR B 28 2.521 22.010 4.067 1.00 1.20 O ATOM 1933 CB THR B 28 2.397 21.358 0.949 1.00 0.85 C ATOM 1934 OG1 THR B 28 1.524 22.450 1.139 1.00 0.94 O ATOM 1935 CG2 THR B 28 1.931 20.580 -0.278 1.00 0.86 C ATOM 0 H THR B 28 0.756 20.718 3.326 1.00 0.85 H new ATOM 0 HA THR B 28 3.081 19.617 1.995 1.00 0.83 H new ATOM 0 HB THR B 28 3.414 21.702 0.759 1.00 0.85 H new ATOM 0 HG1 THR B 28 1.924 23.259 0.756 1.00 0.94 H new ATOM 0 HG21 THR B 28 1.886 21.249 -1.137 1.00 0.86 H new ATOM 0 HG22 THR B 28 2.632 19.771 -0.484 1.00 0.86 H new ATOM 0 HG23 THR B 28 0.941 20.163 -0.090 1.00 0.86 H new ATOM 1943 N LEU B 29 4.529 21.247 3.415 1.00 0.79 N ATOM 1944 CA LEU B 29 5.292 22.035 4.410 1.00 0.81 C ATOM 1945 C LEU B 29 6.776 22.231 4.080 1.00 0.69 C ATOM 1946 O LEU B 29 7.340 21.529 3.251 1.00 0.73 O ATOM 1947 CB LEU B 29 5.104 21.486 5.849 1.00 0.89 C ATOM 1948 CG LEU B 29 6.022 20.316 6.262 1.00 0.81 C ATOM 1949 CD1 LEU B 29 5.763 19.943 7.730 1.00 1.12 C ATOM 1950 CD2 LEU B 29 5.799 19.083 5.384 1.00 0.78 C ATOM 0 H LEU B 29 5.111 20.659 2.818 1.00 0.79 H new ATOM 0 HA LEU B 29 4.856 23.032 4.357 1.00 0.81 H new ATOM 0 HB2 LEU B 29 5.259 22.306 6.550 1.00 0.89 H new ATOM 0 HB3 LEU B 29 4.069 21.163 5.959 1.00 0.89 H new ATOM 0 HG LEU B 29 7.053 20.646 6.133 1.00 0.81 H new ATOM 0 HD11 LEU B 29 6.414 19.117 8.016 1.00 1.12 H new ATOM 0 HD12 LEU B 29 5.969 20.804 8.366 1.00 1.12 H new ATOM 0 HD13 LEU B 29 4.722 19.644 7.851 1.00 1.12 H new ATOM 0 HD21 LEU B 29 6.464 18.282 5.707 1.00 0.78 H new ATOM 0 HD22 LEU B 29 4.764 18.754 5.475 1.00 0.78 H new ATOM 0 HD23 LEU B 29 6.010 19.334 4.344 1.00 0.78 H new ATOM 1962 N SER B 30 7.400 23.169 4.790 1.00 0.70 N ATOM 1963 CA SER B 30 8.828 23.515 4.710 1.00 0.77 C ATOM 1964 C SER B 30 9.765 22.324 4.988 1.00 0.73 C ATOM 1965 O SER B 30 9.541 21.559 5.931 1.00 0.72 O ATOM 1966 CB SER B 30 9.070 24.637 5.740 1.00 1.03 C ATOM 1967 OG SER B 30 10.387 24.676 6.249 1.00 1.71 O ATOM 0 H SER B 30 6.903 23.740 5.473 1.00 0.70 H new ATOM 0 HA SER B 30 9.059 23.831 3.693 1.00 0.77 H new ATOM 0 HB2 SER B 30 8.842 25.597 5.276 1.00 1.03 H new ATOM 0 HB3 SER B 30 8.374 24.511 6.570 1.00 1.03 H new ATOM 0 HG SER B 30 10.914 25.330 5.744 1.00 1.71 H new ATOM 1973 N ARG B 31 10.890 22.216 4.257 1.00 0.83 N ATOM 1974 CA ARG B 31 11.946 21.214 4.531 1.00 0.89 C ATOM 1975 C ARG B 31 12.572 21.387 5.925 1.00 0.89 C ATOM 1976 O ARG B 31 12.929 20.405 6.579 1.00 1.09 O ATOM 1977 CB ARG B 31 13.082 21.200 3.474 1.00 1.15 C ATOM 1978 CG ARG B 31 12.749 21.616 2.027 1.00 1.23 C ATOM 1979 CD ARG B 31 13.473 20.792 0.946 1.00 1.17 C ATOM 1980 NE ARG B 31 14.932 21.004 0.883 1.00 2.62 N ATOM 1981 CZ ARG B 31 15.681 21.024 -0.218 1.00 3.80 C ATOM 1982 NH1 ARG B 31 15.199 20.988 -1.436 1.00 3.98 N ATOM 1983 NH2 ARG B 31 16.985 21.109 -0.150 1.00 5.31 N ATOM 0 H ARG B 31 11.096 22.818 3.460 1.00 0.83 H new ATOM 0 HA ARG B 31 11.424 20.259 4.482 1.00 0.89 H new ATOM 0 HB2 ARG B 31 13.876 21.855 3.832 1.00 1.15 H new ATOM 0 HB3 ARG B 31 13.492 20.191 3.442 1.00 1.15 H new ATOM 0 HG2 ARG B 31 11.673 21.527 1.875 1.00 1.23 H new ATOM 0 HG3 ARG B 31 13.004 22.668 1.896 1.00 1.23 H new ATOM 0 HD2 ARG B 31 13.281 19.734 1.125 1.00 1.17 H new ATOM 0 HD3 ARG B 31 13.042 21.034 -0.025 1.00 1.17 H new ATOM 0 HE ARG B 31 15.414 21.150 1.770 1.00 2.62 H new ATOM 0 HH11 ARG B 31 14.191 20.942 -1.584 1.00 3.98 H new ATOM 0 HH12 ARG B 31 15.832 21.006 -2.236 1.00 3.98 H new ATOM 0 HH21 ARG B 31 17.446 21.161 0.758 1.00 5.31 H new ATOM 0 HH22 ARG B 31 17.540 21.123 -1.005 1.00 5.31 H new ATOM 1997 N LYS B 32 12.718 22.633 6.390 1.00 0.83 N ATOM 1998 CA LYS B 32 13.168 23.002 7.734 1.00 0.91 C ATOM 1999 C LYS B 32 12.169 22.573 8.814 1.00 1.01 C ATOM 2000 O LYS B 32 12.610 22.171 9.893 1.00 1.31 O ATOM 2001 CB LYS B 32 13.497 24.508 7.745 1.00 1.02 C ATOM 2002 CG LYS B 32 13.838 25.051 9.142 1.00 1.96 C ATOM 2003 CD LYS B 32 12.609 25.622 9.869 1.00 3.45 C ATOM 2004 CE LYS B 32 12.766 25.480 11.392 1.00 5.04 C ATOM 2005 NZ LYS B 32 12.185 24.215 11.909 1.00 6.94 N ATOM 0 H LYS B 32 12.516 23.448 5.811 1.00 0.83 H new ATOM 0 HA LYS B 32 14.079 22.458 7.985 1.00 0.91 H new ATOM 0 HB2 LYS B 32 14.338 24.693 7.077 1.00 1.02 H new ATOM 0 HB3 LYS B 32 12.646 25.061 7.347 1.00 1.02 H new ATOM 0 HG2 LYS B 32 14.272 24.252 9.743 1.00 1.96 H new ATOM 0 HG3 LYS B 32 14.596 25.829 9.051 1.00 1.96 H new ATOM 0 HD2 LYS B 32 12.481 26.672 9.608 1.00 3.45 H new ATOM 0 HD3 LYS B 32 11.710 25.100 9.540 1.00 3.45 H new ATOM 0 HE2 LYS B 32 13.824 25.522 11.650 1.00 5.04 H new ATOM 0 HE3 LYS B 32 12.284 26.325 11.884 1.00 5.04 H new ATOM 0 HZ1 LYS B 32 12.690 23.928 12.772 1.00 6.94 H new ATOM 0 HZ2 LYS B 32 11.179 24.359 12.129 1.00 6.94 H new ATOM 0 HZ3 LYS B 32 12.279 23.470 11.189 1.00 6.94 H new ATOM 2019 N GLU B 33 10.865 22.610 8.542 1.00 0.85 N ATOM 2020 CA GLU B 33 9.860 22.124 9.485 1.00 0.92 C ATOM 2021 C GLU B 33 9.716 20.599 9.448 1.00 0.93 C ATOM 2022 O GLU B 33 9.756 19.955 10.496 1.00 0.96 O ATOM 2023 CB GLU B 33 8.532 22.864 9.262 1.00 1.10 C ATOM 2024 CG GLU B 33 7.702 22.945 10.550 1.00 1.28 C ATOM 2025 CD GLU B 33 8.232 23.969 11.564 1.00 1.98 C ATOM 2026 OE1 GLU B 33 9.467 24.162 11.658 1.00 3.17 O ATOM 2027 OE2 GLU B 33 7.387 24.585 12.254 1.00 2.59 O ATOM 0 H GLU B 33 10.479 22.974 7.671 1.00 0.85 H new ATOM 0 HA GLU B 33 10.196 22.349 10.497 1.00 0.92 H new ATOM 0 HB2 GLU B 33 8.734 23.871 8.896 1.00 1.10 H new ATOM 0 HB3 GLU B 33 7.956 22.353 8.490 1.00 1.10 H new ATOM 0 HG2 GLU B 33 6.674 23.200 10.293 1.00 1.28 H new ATOM 0 HG3 GLU B 33 7.679 21.961 11.019 1.00 1.28 H new ATOM 2034 N LEU B 34 9.684 19.972 8.269 1.00 0.94 N ATOM 2035 CA LEU B 34 9.608 18.511 8.160 1.00 1.02 C ATOM 2036 C LEU B 34 10.789 17.813 8.856 1.00 0.91 C ATOM 2037 O LEU B 34 10.609 16.815 9.556 1.00 0.98 O ATOM 2038 CB LEU B 34 9.497 18.113 6.674 1.00 1.13 C ATOM 2039 CG LEU B 34 9.331 16.594 6.465 1.00 1.42 C ATOM 2040 CD1 LEU B 34 8.140 16.033 7.252 1.00 1.91 C ATOM 2041 CD2 LEU B 34 9.157 16.268 4.980 1.00 1.78 C ATOM 0 H LEU B 34 9.710 20.456 7.371 1.00 0.94 H new ATOM 0 HA LEU B 34 8.714 18.171 8.682 1.00 1.02 H new ATOM 0 HB2 LEU B 34 8.647 18.630 6.228 1.00 1.13 H new ATOM 0 HB3 LEU B 34 10.389 18.451 6.146 1.00 1.13 H new ATOM 0 HG LEU B 34 10.240 16.122 6.839 1.00 1.42 H new ATOM 0 HD11 LEU B 34 8.060 14.960 7.076 1.00 1.91 H new ATOM 0 HD12 LEU B 34 8.289 16.216 8.316 1.00 1.91 H new ATOM 0 HD13 LEU B 34 7.224 16.524 6.924 1.00 1.91 H new ATOM 0 HD21 LEU B 34 9.042 15.191 4.855 1.00 1.78 H new ATOM 0 HD22 LEU B 34 8.271 16.775 4.598 1.00 1.78 H new ATOM 0 HD23 LEU B 34 10.034 16.605 4.428 1.00 1.78 H new ATOM 2053 N LYS B 35 12.005 18.353 8.739 1.00 0.81 N ATOM 2054 CA LYS B 35 13.160 17.813 9.459 1.00 0.80 C ATOM 2055 C LYS B 35 13.099 18.074 10.975 1.00 0.78 C ATOM 2056 O LYS B 35 13.671 17.304 11.750 1.00 0.86 O ATOM 2057 CB LYS B 35 14.438 18.265 8.760 1.00 0.83 C ATOM 2058 CG LYS B 35 15.031 19.590 9.224 1.00 1.37 C ATOM 2059 CD LYS B 35 16.044 20.014 8.159 1.00 1.84 C ATOM 2060 CE LYS B 35 17.156 20.868 8.754 1.00 2.31 C ATOM 2061 NZ LYS B 35 18.169 21.186 7.718 1.00 3.15 N ATOM 0 H LYS B 35 12.214 19.162 8.154 1.00 0.81 H new ATOM 0 HA LYS B 35 13.148 16.724 9.414 1.00 0.80 H new ATOM 0 HB2 LYS B 35 15.192 17.489 8.891 1.00 0.83 H new ATOM 0 HB3 LYS B 35 14.236 18.337 7.691 1.00 0.83 H new ATOM 0 HG2 LYS B 35 14.252 20.344 9.339 1.00 1.37 H new ATOM 0 HG3 LYS B 35 15.514 19.479 10.195 1.00 1.37 H new ATOM 0 HD2 LYS B 35 16.475 19.128 7.692 1.00 1.84 H new ATOM 0 HD3 LYS B 35 15.535 20.573 7.374 1.00 1.84 H new ATOM 0 HE2 LYS B 35 16.739 21.790 9.160 1.00 2.31 H new ATOM 0 HE3 LYS B 35 17.627 20.339 9.583 1.00 2.31 H new ATOM 0 HZ1 LYS B 35 18.858 21.864 8.102 1.00 3.15 H new ATOM 0 HZ2 LYS B 35 18.662 20.315 7.435 1.00 3.15 H new ATOM 0 HZ3 LYS B 35 17.699 21.603 6.889 1.00 3.15 H new ATOM 2075 N GLU B 36 12.361 19.105 11.399 1.00 0.79 N ATOM 2076 CA GLU B 36 12.028 19.360 12.797 1.00 0.90 C ATOM 2077 C GLU B 36 11.068 18.304 13.368 1.00 0.96 C ATOM 2078 O GLU B 36 11.327 17.824 14.465 1.00 1.16 O ATOM 2079 CB GLU B 36 11.408 20.760 12.935 1.00 1.00 C ATOM 2080 CG GLU B 36 11.652 21.362 14.310 1.00 1.39 C ATOM 2081 CD GLU B 36 13.086 21.861 14.455 1.00 2.15 C ATOM 2082 OE1 GLU B 36 13.974 21.059 14.819 1.00 2.70 O ATOM 2083 OE2 GLU B 36 13.291 23.068 14.225 1.00 3.31 O ATOM 0 H GLU B 36 11.971 19.799 10.762 1.00 0.79 H new ATOM 0 HA GLU B 36 12.953 19.303 13.371 1.00 0.90 H new ATOM 0 HB2 GLU B 36 11.826 21.418 12.173 1.00 1.00 H new ATOM 0 HB3 GLU B 36 10.335 20.700 12.751 1.00 1.00 H new ATOM 0 HG2 GLU B 36 10.960 22.188 14.475 1.00 1.39 H new ATOM 0 HG3 GLU B 36 11.446 20.615 15.077 1.00 1.39 H new ATOM 2090 N LEU B 37 10.022 17.899 12.626 1.00 0.89 N ATOM 2091 CA LEU B 37 9.089 16.836 13.034 1.00 1.02 C ATOM 2092 C LEU B 37 9.861 15.580 13.427 1.00 1.14 C ATOM 2093 O LEU B 37 9.692 15.060 14.531 1.00 1.27 O ATOM 2094 CB LEU B 37 8.060 16.576 11.897 1.00 1.04 C ATOM 2095 CG LEU B 37 7.402 15.171 11.823 1.00 1.14 C ATOM 2096 CD1 LEU B 37 6.645 14.723 13.076 1.00 1.75 C ATOM 2097 CD2 LEU B 37 6.407 15.109 10.653 1.00 1.40 C ATOM 0 H LEU B 37 9.799 18.305 11.717 1.00 0.89 H new ATOM 0 HA LEU B 37 8.528 17.151 13.914 1.00 1.02 H new ATOM 0 HB2 LEU B 37 7.264 17.314 11.991 1.00 1.04 H new ATOM 0 HB3 LEU B 37 8.558 16.763 10.946 1.00 1.04 H new ATOM 0 HG LEU B 37 8.249 14.497 11.699 1.00 1.14 H new ATOM 0 HD11 LEU B 37 6.227 13.730 12.913 1.00 1.75 H new ATOM 0 HD12 LEU B 37 7.330 14.694 13.924 1.00 1.75 H new ATOM 0 HD13 LEU B 37 5.839 15.426 13.285 1.00 1.75 H new ATOM 0 HD21 LEU B 37 5.953 14.119 10.613 1.00 1.40 H new ATOM 0 HD22 LEU B 37 5.629 15.859 10.797 1.00 1.40 H new ATOM 0 HD23 LEU B 37 6.932 15.305 9.718 1.00 1.40 H new ATOM 2109 N ILE B 38 10.740 15.125 12.531 1.00 1.10 N ATOM 2110 CA ILE B 38 11.522 13.897 12.718 1.00 1.22 C ATOM 2111 C ILE B 38 12.382 13.982 13.983 1.00 1.36 C ATOM 2112 O ILE B 38 12.211 13.151 14.862 1.00 1.82 O ATOM 2113 CB ILE B 38 12.315 13.558 11.431 1.00 1.20 C ATOM 2114 CG1 ILE B 38 11.322 13.255 10.282 1.00 1.30 C ATOM 2115 CG2 ILE B 38 13.263 12.364 11.667 1.00 1.66 C ATOM 2116 CD1 ILE B 38 11.978 13.024 8.915 1.00 1.36 C ATOM 0 H ILE B 38 10.932 15.600 11.649 1.00 1.10 H new ATOM 0 HA ILE B 38 10.848 13.057 12.883 1.00 1.22 H new ATOM 0 HB ILE B 38 12.930 14.415 11.155 1.00 1.20 H new ATOM 0 HG12 ILE B 38 10.741 12.371 10.545 1.00 1.30 H new ATOM 0 HG13 ILE B 38 10.620 14.085 10.198 1.00 1.30 H new ATOM 0 HG21 ILE B 38 13.808 12.145 10.749 1.00 1.66 H new ATOM 0 HG22 ILE B 38 13.970 12.612 12.459 1.00 1.66 H new ATOM 0 HG23 ILE B 38 12.681 11.490 11.960 1.00 1.66 H new ATOM 0 HD11 ILE B 38 11.208 12.819 8.172 1.00 1.36 H new ATOM 0 HD12 ILE B 38 12.535 13.914 8.624 1.00 1.36 H new ATOM 0 HD13 ILE B 38 12.658 12.174 8.977 1.00 1.36 H new ATOM 2128 N LYS B 39 13.275 14.964 14.144 1.00 1.18 N ATOM 2129 CA LYS B 39 14.154 14.993 15.321 1.00 1.29 C ATOM 2130 C LYS B 39 13.521 15.562 16.613 1.00 1.65 C ATOM 2131 O LYS B 39 14.210 15.680 17.626 1.00 1.98 O ATOM 2132 CB LYS B 39 15.533 15.546 14.938 1.00 1.27 C ATOM 2133 CG LYS B 39 16.414 14.293 14.795 1.00 1.31 C ATOM 2134 CD LYS B 39 17.832 14.522 14.326 1.00 1.94 C ATOM 2135 CE LYS B 39 18.782 14.947 15.457 1.00 2.90 C ATOM 2136 NZ LYS B 39 20.130 14.335 15.304 1.00 3.64 N ATOM 0 H LYS B 39 13.409 15.735 13.490 1.00 1.18 H new ATOM 0 HA LYS B 39 14.312 13.961 15.635 1.00 1.29 H new ATOM 0 HB2 LYS B 39 15.491 16.112 14.007 1.00 1.27 H new ATOM 0 HB3 LYS B 39 15.919 16.219 15.703 1.00 1.27 H new ATOM 0 HG2 LYS B 39 16.450 13.788 15.760 1.00 1.31 H new ATOM 0 HG3 LYS B 39 15.929 13.611 14.097 1.00 1.31 H new ATOM 0 HD2 LYS B 39 18.209 13.607 13.868 1.00 1.94 H new ATOM 0 HD3 LYS B 39 17.832 15.289 13.552 1.00 1.94 H new ATOM 0 HE2 LYS B 39 18.874 16.033 15.466 1.00 2.90 H new ATOM 0 HE3 LYS B 39 18.357 14.656 16.418 1.00 2.90 H new ATOM 0 HZ1 LYS B 39 20.846 14.962 15.725 1.00 3.64 H new ATOM 0 HZ2 LYS B 39 20.150 13.414 15.787 1.00 3.64 H new ATOM 0 HZ3 LYS B 39 20.338 14.201 14.294 1.00 3.64 H new ATOM 2150 N LYS B 40 12.230 15.928 16.607 1.00 1.66 N ATOM 2151 CA LYS B 40 11.431 16.163 17.816 1.00 1.94 C ATOM 2152 C LYS B 40 10.598 14.957 18.259 1.00 2.16 C ATOM 2153 O LYS B 40 10.349 14.846 19.457 1.00 2.53 O ATOM 2154 CB LYS B 40 10.488 17.350 17.580 1.00 1.88 C ATOM 2155 CG LYS B 40 11.081 18.698 17.967 1.00 2.00 C ATOM 2156 CD LYS B 40 12.488 19.016 17.452 1.00 2.30 C ATOM 2157 CE LYS B 40 12.788 20.453 17.877 1.00 2.49 C ATOM 2158 NZ LYS B 40 14.145 20.882 17.469 1.00 3.08 N ATOM 0 H LYS B 40 11.704 16.071 15.745 1.00 1.66 H new ATOM 0 HA LYS B 40 12.144 16.365 18.615 1.00 1.94 H new ATOM 0 HB2 LYS B 40 10.210 17.376 16.526 1.00 1.88 H new ATOM 0 HB3 LYS B 40 9.571 17.191 18.148 1.00 1.88 H new ATOM 0 HG2 LYS B 40 10.407 19.478 17.613 1.00 2.00 H new ATOM 0 HG3 LYS B 40 11.097 18.760 19.055 1.00 2.00 H new ATOM 0 HD2 LYS B 40 13.220 18.326 17.871 1.00 2.30 H new ATOM 0 HD3 LYS B 40 12.537 18.913 16.368 1.00 2.30 H new ATOM 0 HE2 LYS B 40 12.049 21.123 17.437 1.00 2.49 H new ATOM 0 HE3 LYS B 40 12.691 20.538 18.959 1.00 2.49 H new ATOM 0 HZ1 LYS B 40 14.241 21.908 17.607 1.00 3.08 H new ATOM 0 HZ2 LYS B 40 14.854 20.387 18.047 1.00 3.08 H new ATOM 0 HZ3 LYS B 40 14.295 20.652 16.466 1.00 3.08 H new ATOM 2172 N GLU B 41 10.148 14.104 17.336 1.00 2.05 N ATOM 2173 CA GLU B 41 9.362 12.905 17.683 1.00 2.40 C ATOM 2174 C GLU B 41 10.217 11.627 17.790 1.00 2.43 C ATOM 2175 O GLU B 41 9.942 10.790 18.652 1.00 2.96 O ATOM 2176 CB GLU B 41 8.147 12.769 16.741 1.00 2.54 C ATOM 2177 CG GLU B 41 8.332 11.957 15.445 1.00 2.44 C ATOM 2178 CD GLU B 41 8.087 10.463 15.661 1.00 3.97 C ATOM 2179 OE1 GLU B 41 6.946 10.101 16.014 1.00 4.57 O ATOM 2180 OE2 GLU B 41 8.999 9.638 15.449 1.00 5.16 O ATOM 0 H GLU B 41 10.313 14.218 16.336 1.00 2.05 H new ATOM 0 HA GLU B 41 8.972 13.041 18.692 1.00 2.40 H new ATOM 0 HB2 GLU B 41 7.333 12.316 17.307 1.00 2.54 H new ATOM 0 HB3 GLU B 41 7.823 13.772 16.465 1.00 2.54 H new ATOM 0 HG2 GLU B 41 7.647 12.330 14.684 1.00 2.44 H new ATOM 0 HG3 GLU B 41 9.343 12.107 15.065 1.00 2.44 H new ATOM 2187 N LEU B 42 11.279 11.503 16.984 1.00 2.01 N ATOM 2188 CA LEU B 42 12.150 10.339 16.904 1.00 1.90 C ATOM 2189 C LEU B 42 13.539 10.653 17.471 1.00 1.86 C ATOM 2190 O LEU B 42 14.182 11.653 17.129 1.00 1.95 O ATOM 2191 CB LEU B 42 12.218 9.847 15.435 1.00 1.85 C ATOM 2192 CG LEU B 42 11.999 8.332 15.246 1.00 1.87 C ATOM 2193 CD1 LEU B 42 11.951 7.991 13.749 1.00 1.99 C ATOM 2194 CD2 LEU B 42 13.056 7.453 15.936 1.00 2.71 C ATOM 0 H LEU B 42 11.561 12.247 16.345 1.00 2.01 H new ATOM 0 HA LEU B 42 11.739 9.536 17.515 1.00 1.90 H new ATOM 0 HB2 LEU B 42 11.468 10.383 14.853 1.00 1.85 H new ATOM 0 HB3 LEU B 42 13.192 10.113 15.023 1.00 1.85 H new ATOM 0 HG LEU B 42 11.047 8.107 15.727 1.00 1.87 H new ATOM 0 HD11 LEU B 42 11.796 6.919 13.625 1.00 1.99 H new ATOM 0 HD12 LEU B 42 11.131 8.533 13.278 1.00 1.99 H new ATOM 0 HD13 LEU B 42 12.892 8.278 13.280 1.00 1.99 H new ATOM 0 HD21 LEU B 42 12.830 6.402 15.755 1.00 2.71 H new ATOM 0 HD22 LEU B 42 14.042 7.687 15.534 1.00 2.71 H new ATOM 0 HD23 LEU B 42 13.046 7.647 17.009 1.00 2.71 H new ATOM 2206 N CYS B 43 14.033 9.752 18.314 1.00 1.93 N ATOM 2207 CA CYS B 43 15.410 9.785 18.802 1.00 1.99 C ATOM 2208 C CYS B 43 16.384 9.365 17.688 1.00 2.10 C ATOM 2209 O CYS B 43 16.691 8.188 17.502 1.00 2.67 O ATOM 2210 CB CYS B 43 15.562 8.943 20.075 1.00 2.28 C ATOM 2211 SG CYS B 43 17.059 9.521 20.926 1.00 3.69 S ATOM 0 H CYS B 43 13.487 8.973 18.681 1.00 1.93 H new ATOM 0 HA CYS B 43 15.664 10.808 19.078 1.00 1.99 H new ATOM 0 HB2 CYS B 43 14.688 9.054 20.716 1.00 2.28 H new ATOM 0 HB3 CYS B 43 15.644 7.884 19.829 1.00 2.28 H new ATOM 0 HG CYS B 43 17.613 8.526 21.554 1.00 3.69 H new ATOM 2217 N LEU B 44 16.858 10.350 16.929 1.00 2.78 N ATOM 2218 CA LEU B 44 18.037 10.229 16.077 1.00 3.50 C ATOM 2219 C LEU B 44 19.210 10.916 16.791 1.00 3.78 C ATOM 2220 O LEU B 44 19.327 12.148 16.795 1.00 5.12 O ATOM 2221 CB LEU B 44 17.747 10.739 14.647 1.00 4.36 C ATOM 2222 CG LEU B 44 17.170 9.632 13.731 1.00 4.08 C ATOM 2223 CD1 LEU B 44 15.657 9.490 13.892 1.00 4.02 C ATOM 2224 CD2 LEU B 44 17.477 9.918 12.257 1.00 5.32 C ATOM 0 H LEU B 44 16.424 11.272 16.889 1.00 2.78 H new ATOM 0 HA LEU B 44 18.317 9.186 15.927 1.00 3.50 H new ATOM 0 HB2 LEU B 44 17.043 11.570 14.696 1.00 4.36 H new ATOM 0 HB3 LEU B 44 18.667 11.126 14.209 1.00 4.36 H new ATOM 0 HG LEU B 44 17.650 8.702 14.036 1.00 4.08 H new ATOM 0 HD11 LEU B 44 15.293 8.703 13.232 1.00 4.02 H new ATOM 0 HD12 LEU B 44 15.424 9.234 14.925 1.00 4.02 H new ATOM 0 HD13 LEU B 44 15.174 10.432 13.634 1.00 4.02 H new ATOM 0 HD21 LEU B 44 17.060 9.124 11.638 1.00 5.32 H new ATOM 0 HD22 LEU B 44 17.034 10.872 11.971 1.00 5.32 H new ATOM 0 HD23 LEU B 44 18.556 9.962 12.112 1.00 5.32 H new ATOM 2236 N GLY B 45 20.027 10.085 17.438 1.00 3.09 N ATOM 2237 CA GLY B 45 21.149 10.400 18.327 1.00 3.45 C ATOM 2238 C GLY B 45 21.720 9.177 19.064 1.00 2.90 C ATOM 2239 O GLY B 45 22.417 9.357 20.057 1.00 3.78 O ATOM 0 H GLY B 45 19.910 9.076 17.345 1.00 3.09 H new ATOM 0 HA2 GLY B 45 21.944 10.864 17.743 1.00 3.45 H new ATOM 0 HA3 GLY B 45 20.822 11.136 19.062 1.00 3.45 H new ATOM 2242 N GLU B 46 21.437 7.957 18.593 1.00 2.20 N ATOM 2243 CA GLU B 46 21.725 6.679 19.287 1.00 2.40 C ATOM 2244 C GLU B 46 21.566 5.419 18.409 1.00 2.34 C ATOM 2245 O GLU B 46 22.136 4.354 18.689 1.00 3.31 O ATOM 2246 CB GLU B 46 20.838 6.525 20.544 1.00 2.95 C ATOM 2247 CG GLU B 46 19.332 6.497 20.237 1.00 2.93 C ATOM 2248 CD GLU B 46 18.524 5.959 21.414 1.00 4.02 C ATOM 2249 OE1 GLU B 46 18.407 4.715 21.494 1.00 5.19 O ATOM 2250 OE2 GLU B 46 18.009 6.789 22.197 1.00 4.62 O ATOM 0 H GLU B 46 20.986 7.819 17.689 1.00 2.20 H new ATOM 0 HA GLU B 46 22.779 6.744 19.558 1.00 2.40 H new ATOM 0 HB2 GLU B 46 21.112 5.605 21.061 1.00 2.95 H new ATOM 0 HB3 GLU B 46 21.045 7.348 21.227 1.00 2.95 H new ATOM 0 HG2 GLU B 46 18.992 7.503 19.992 1.00 2.93 H new ATOM 0 HG3 GLU B 46 19.152 5.877 19.359 1.00 2.93 H new ATOM 2257 N MET B 47 20.780 5.498 17.329 1.00 1.81 N ATOM 2258 CA MET B 47 20.518 4.399 16.416 1.00 2.20 C ATOM 2259 C MET B 47 21.683 4.252 15.423 1.00 1.84 C ATOM 2260 O MET B 47 22.843 4.470 15.759 1.00 2.07 O ATOM 2261 CB MET B 47 19.113 4.554 15.816 1.00 2.88 C ATOM 2262 CG MET B 47 18.067 4.521 16.943 1.00 3.32 C ATOM 2263 SD MET B 47 16.410 4.062 16.396 1.00 3.72 S ATOM 2264 CE MET B 47 16.153 5.462 15.282 1.00 3.23 C ATOM 0 H MET B 47 20.298 6.358 17.066 1.00 1.81 H new ATOM 0 HA MET B 47 20.489 3.438 16.930 1.00 2.20 H new ATOM 0 HB2 MET B 47 19.042 5.493 15.267 1.00 2.88 H new ATOM 0 HB3 MET B 47 18.920 3.753 15.103 1.00 2.88 H new ATOM 0 HG2 MET B 47 18.394 3.816 17.707 1.00 3.32 H new ATOM 0 HG3 MET B 47 18.024 5.503 17.413 1.00 3.32 H new ATOM 0 HE1 MET B 47 15.089 5.569 15.072 1.00 3.23 H new ATOM 0 HE2 MET B 47 16.523 6.373 15.751 1.00 3.23 H new ATOM 0 HE3 MET B 47 16.692 5.289 14.350 1.00 3.23 H new ATOM 2274 N LYS B 48 21.437 3.704 14.238 1.00 2.29 N ATOM 2275 CA LYS B 48 22.491 3.214 13.314 1.00 2.76 C ATOM 2276 C LYS B 48 22.835 4.192 12.168 1.00 3.13 C ATOM 2277 O LYS B 48 23.679 3.951 11.317 1.00 4.66 O ATOM 2278 CB LYS B 48 21.976 1.858 12.863 1.00 3.73 C ATOM 2279 CG LYS B 48 22.129 0.688 13.840 1.00 4.14 C ATOM 2280 CD LYS B 48 21.839 0.852 15.349 1.00 4.31 C ATOM 2281 CE LYS B 48 23.082 1.444 16.028 1.00 5.54 C ATOM 2282 NZ LYS B 48 22.851 1.994 17.398 1.00 6.73 N ATOM 0 H LYS B 48 20.492 3.579 13.874 1.00 2.29 H new ATOM 0 HA LYS B 48 23.462 3.132 13.803 1.00 2.76 H new ATOM 0 HB2 LYS B 48 20.918 1.962 12.624 1.00 3.73 H new ATOM 0 HB3 LYS B 48 22.487 1.594 11.937 1.00 3.73 H new ATOM 0 HG2 LYS B 48 21.484 -0.113 13.479 1.00 4.14 H new ATOM 0 HG3 LYS B 48 23.156 0.334 13.752 1.00 4.14 H new ATOM 0 HD2 LYS B 48 20.979 1.505 15.500 1.00 4.31 H new ATOM 0 HD3 LYS B 48 21.589 -0.112 15.793 1.00 4.31 H new ATOM 0 HE2 LYS B 48 23.848 0.671 16.088 1.00 5.54 H new ATOM 0 HE3 LYS B 48 23.479 2.238 15.396 1.00 5.54 H new ATOM 0 HZ1 LYS B 48 22.893 3.033 17.367 1.00 6.73 H new ATOM 0 HZ2 LYS B 48 21.915 1.696 17.738 1.00 6.73 H new ATOM 0 HZ3 LYS B 48 23.584 1.637 18.044 1.00 6.73 H new ATOM 2296 N GLU B 49 22.141 5.299 12.261 1.00 2.75 N ATOM 2297 CA GLU B 49 22.422 6.664 11.814 1.00 2.99 C ATOM 2298 C GLU B 49 23.845 6.954 11.290 1.00 2.28 C ATOM 2299 O GLU B 49 24.846 6.683 11.949 1.00 3.00 O ATOM 2300 CB GLU B 49 22.158 7.578 13.015 1.00 4.05 C ATOM 2301 CG GLU B 49 20.719 7.458 13.539 1.00 5.59 C ATOM 2302 CD GLU B 49 20.553 8.340 14.756 1.00 6.56 C ATOM 2303 OE1 GLU B 49 20.627 9.566 14.564 1.00 6.81 O ATOM 2304 OE2 GLU B 49 20.354 7.793 15.867 1.00 7.59 O ATOM 0 H GLU B 49 21.230 5.269 12.718 1.00 2.75 H new ATOM 0 HA GLU B 49 21.780 6.835 10.950 1.00 2.99 H new ATOM 0 HB2 GLU B 49 22.855 7.331 13.816 1.00 4.05 H new ATOM 0 HB3 GLU B 49 22.353 8.612 12.731 1.00 4.05 H new ATOM 0 HG2 GLU B 49 20.012 7.753 12.763 1.00 5.59 H new ATOM 0 HG3 GLU B 49 20.498 6.422 13.794 1.00 5.59 H new ATOM 2311 N SER B 50 23.908 7.591 10.122 1.00 2.37 N ATOM 2312 CA SER B 50 25.074 8.145 9.413 1.00 1.99 C ATOM 2313 C SER B 50 24.575 8.643 8.055 1.00 1.72 C ATOM 2314 O SER B 50 24.557 9.841 7.801 1.00 2.76 O ATOM 2315 CB SER B 50 26.164 7.090 9.209 1.00 2.55 C ATOM 2316 OG SER B 50 26.943 6.916 10.370 1.00 3.10 O ATOM 0 H SER B 50 23.055 7.752 9.587 1.00 2.37 H new ATOM 0 HA SER B 50 25.516 8.950 10.000 1.00 1.99 H new ATOM 0 HB2 SER B 50 25.705 6.141 8.933 1.00 2.55 H new ATOM 0 HB3 SER B 50 26.807 7.386 8.380 1.00 2.55 H new ATOM 0 HG SER B 50 26.376 6.584 11.097 1.00 3.10 H new ATOM 2322 N SER B 51 23.994 7.741 7.259 1.00 1.66 N ATOM 2323 CA SER B 51 23.187 7.990 6.051 1.00 1.65 C ATOM 2324 C SER B 51 21.858 8.725 6.347 1.00 1.52 C ATOM 2325 O SER B 51 20.838 8.473 5.713 1.00 2.00 O ATOM 2326 CB SER B 51 22.882 6.633 5.383 1.00 2.11 C ATOM 2327 OG SER B 51 23.981 5.732 5.451 1.00 2.10 O ATOM 0 H SER B 51 24.079 6.743 7.452 1.00 1.66 H new ATOM 0 HA SER B 51 23.765 8.641 5.395 1.00 1.65 H new ATOM 0 HB2 SER B 51 22.016 6.181 5.866 1.00 2.11 H new ATOM 0 HB3 SER B 51 22.616 6.798 4.339 1.00 2.11 H new ATOM 0 HG SER B 51 23.739 4.887 5.017 1.00 2.10 H new ATOM 2333 N ILE B 52 21.846 9.571 7.380 1.00 1.43 N ATOM 2334 CA ILE B 52 20.697 10.337 7.877 1.00 1.43 C ATOM 2335 C ILE B 52 21.035 11.817 8.007 1.00 1.38 C ATOM 2336 O ILE B 52 20.171 12.644 7.738 1.00 1.54 O ATOM 2337 CB ILE B 52 20.158 9.766 9.212 1.00 1.55 C ATOM 2338 CG1 ILE B 52 21.018 10.014 10.476 1.00 1.87 C ATOM 2339 CG2 ILE B 52 19.919 8.248 9.078 1.00 1.78 C ATOM 2340 CD1 ILE B 52 20.787 11.348 11.207 1.00 1.97 C ATOM 0 H ILE B 52 22.689 9.751 7.926 1.00 1.43 H new ATOM 0 HA ILE B 52 19.901 10.239 7.139 1.00 1.43 H new ATOM 0 HB ILE B 52 19.237 10.326 9.375 1.00 1.55 H new ATOM 0 HG12 ILE B 52 20.834 9.202 11.180 1.00 1.87 H new ATOM 0 HG13 ILE B 52 22.069 9.957 10.191 1.00 1.87 H new ATOM 0 HG21 ILE B 52 19.540 7.855 10.021 1.00 1.78 H new ATOM 0 HG22 ILE B 52 19.190 8.063 8.289 1.00 1.78 H new ATOM 0 HG23 ILE B 52 20.857 7.752 8.829 1.00 1.78 H new ATOM 0 HD11 ILE B 52 21.445 11.407 12.074 1.00 1.97 H new ATOM 0 HD12 ILE B 52 21.003 12.175 10.531 1.00 1.97 H new ATOM 0 HD13 ILE B 52 19.749 11.408 11.535 1.00 1.97 H new ATOM 2352 N ASP B 53 22.277 12.156 8.374 1.00 1.32 N ATOM 2353 CA ASP B 53 22.665 13.551 8.568 1.00 1.52 C ATOM 2354 C ASP B 53 22.847 14.221 7.210 1.00 1.56 C ATOM 2355 O ASP B 53 22.291 15.287 7.000 1.00 1.56 O ATOM 2356 CB ASP B 53 23.906 13.664 9.462 1.00 1.75 C ATOM 2357 CG ASP B 53 24.058 15.114 9.958 1.00 2.41 C ATOM 2358 OD1 ASP B 53 23.384 15.438 10.964 1.00 3.48 O ATOM 2359 OD2 ASP B 53 24.817 15.885 9.328 1.00 2.82 O ATOM 0 H ASP B 53 23.025 11.483 8.541 1.00 1.32 H new ATOM 0 HA ASP B 53 21.871 14.080 9.095 1.00 1.52 H new ATOM 0 HB2 ASP B 53 23.817 12.986 10.311 1.00 1.75 H new ATOM 0 HB3 ASP B 53 24.795 13.364 8.907 1.00 1.75 H new ATOM 2364 N ASP B 54 23.461 13.521 6.250 1.00 1.65 N ATOM 2365 CA ASP B 54 23.467 13.869 4.825 1.00 1.64 C ATOM 2366 C ASP B 54 22.056 14.180 4.291 1.00 1.55 C ATOM 2367 O ASP B 54 21.862 15.181 3.600 1.00 1.59 O ATOM 2368 CB ASP B 54 24.095 12.699 4.051 1.00 1.76 C ATOM 2369 CG ASP B 54 24.110 12.954 2.541 1.00 1.78 C ATOM 2370 OD1 ASP B 54 25.018 13.693 2.090 1.00 2.64 O ATOM 2371 OD2 ASP B 54 23.223 12.395 1.857 1.00 2.12 O ATOM 0 H ASP B 54 23.985 12.669 6.450 1.00 1.65 H new ATOM 0 HA ASP B 54 24.051 14.779 4.687 1.00 1.64 H new ATOM 0 HB2 ASP B 54 25.114 12.538 4.402 1.00 1.76 H new ATOM 0 HB3 ASP B 54 23.538 11.786 4.259 1.00 1.76 H new ATOM 2376 N LEU B 55 21.045 13.385 4.669 1.00 1.47 N ATOM 2377 CA LEU B 55 19.662 13.576 4.221 1.00 1.38 C ATOM 2378 C LEU B 55 19.039 14.834 4.842 1.00 1.31 C ATOM 2379 O LEU B 55 18.432 15.647 4.141 1.00 1.31 O ATOM 2380 CB LEU B 55 18.818 12.333 4.554 1.00 1.28 C ATOM 2381 CG LEU B 55 19.277 11.011 3.917 1.00 1.30 C ATOM 2382 CD1 LEU B 55 18.307 9.899 4.343 1.00 1.23 C ATOM 2383 CD2 LEU B 55 19.341 11.083 2.386 1.00 1.47 C ATOM 0 H LEU B 55 21.166 12.590 5.296 1.00 1.47 H new ATOM 0 HA LEU B 55 19.675 13.714 3.140 1.00 1.38 H new ATOM 0 HB2 LEU B 55 18.807 12.206 5.637 1.00 1.28 H new ATOM 0 HB3 LEU B 55 17.790 12.524 4.245 1.00 1.28 H new ATOM 0 HG LEU B 55 20.288 10.803 4.266 1.00 1.30 H new ATOM 0 HD11 LEU B 55 18.619 8.954 3.899 1.00 1.23 H new ATOM 0 HD12 LEU B 55 18.312 9.809 5.429 1.00 1.23 H new ATOM 0 HD13 LEU B 55 17.301 10.144 4.004 1.00 1.23 H new ATOM 0 HD21 LEU B 55 19.671 10.122 1.990 1.00 1.47 H new ATOM 0 HD22 LEU B 55 18.353 11.318 1.991 1.00 1.47 H new ATOM 0 HD23 LEU B 55 20.045 11.860 2.087 1.00 1.47 H new ATOM 2395 N MET B 56 19.221 15.042 6.148 1.00 1.31 N ATOM 2396 CA MET B 56 18.793 16.252 6.870 1.00 1.35 C ATOM 2397 C MET B 56 19.562 17.509 6.411 1.00 1.54 C ATOM 2398 O MET B 56 19.024 18.623 6.435 1.00 1.75 O ATOM 2399 CB MET B 56 18.993 16.011 8.376 1.00 1.39 C ATOM 2400 CG MET B 56 18.172 14.822 8.904 1.00 1.22 C ATOM 2401 SD MET B 56 16.396 15.089 9.096 1.00 1.53 S ATOM 2402 CE MET B 56 16.394 15.627 10.821 1.00 1.80 C ATOM 0 H MET B 56 19.681 14.360 6.751 1.00 1.31 H new ATOM 0 HA MET B 56 17.742 16.440 6.651 1.00 1.35 H new ATOM 0 HB2 MET B 56 20.050 15.833 8.573 1.00 1.39 H new ATOM 0 HB3 MET B 56 18.714 16.911 8.924 1.00 1.39 H new ATOM 0 HG2 MET B 56 18.319 13.979 8.228 1.00 1.22 H new ATOM 0 HG3 MET B 56 18.579 14.529 9.872 1.00 1.22 H new ATOM 0 HE1 MET B 56 15.510 15.235 11.323 1.00 1.80 H new ATOM 0 HE2 MET B 56 17.289 15.255 11.319 1.00 1.80 H new ATOM 0 HE3 MET B 56 16.382 16.716 10.862 1.00 1.80 H new ATOM 2412 N LYS B 57 20.809 17.323 5.960 1.00 1.52 N ATOM 2413 CA LYS B 57 21.709 18.326 5.390 1.00 1.72 C ATOM 2414 C LYS B 57 21.457 18.591 3.897 1.00 1.78 C ATOM 2415 O LYS B 57 21.787 19.645 3.366 1.00 1.96 O ATOM 2416 CB LYS B 57 23.167 17.900 5.677 1.00 1.99 C ATOM 2417 CG LYS B 57 24.218 19.009 5.522 1.00 1.95 C ATOM 2418 CD LYS B 57 23.739 20.264 6.255 1.00 3.08 C ATOM 2419 CE LYS B 57 24.857 21.262 6.577 1.00 4.11 C ATOM 2420 NZ LYS B 57 24.321 22.424 7.332 1.00 5.55 N ATOM 0 H LYS B 57 21.244 16.401 5.987 1.00 1.52 H new ATOM 0 HA LYS B 57 21.510 19.284 5.871 1.00 1.72 H new ATOM 0 HB2 LYS B 57 23.221 17.511 6.694 1.00 1.99 H new ATOM 0 HB3 LYS B 57 23.427 17.080 5.008 1.00 1.99 H new ATOM 0 HG2 LYS B 57 25.174 18.679 5.928 1.00 1.95 H new ATOM 0 HG3 LYS B 57 24.379 19.229 4.467 1.00 1.95 H new ATOM 0 HD2 LYS B 57 22.985 20.763 5.646 1.00 3.08 H new ATOM 0 HD3 LYS B 57 23.253 19.967 7.184 1.00 3.08 H new ATOM 0 HE2 LYS B 57 25.634 20.769 7.161 1.00 4.11 H new ATOM 0 HE3 LYS B 57 25.322 21.605 5.653 1.00 4.11 H new ATOM 0 HZ1 LYS B 57 24.875 23.273 7.101 1.00 5.55 H new ATOM 0 HZ2 LYS B 57 23.326 22.578 7.071 1.00 5.55 H new ATOM 0 HZ3 LYS B 57 24.386 22.235 8.353 1.00 5.55 H new ATOM 2434 N SER B 58 20.792 17.658 3.240 1.00 1.70 N ATOM 2435 CA SER B 58 20.171 17.790 1.921 1.00 1.77 C ATOM 2436 C SER B 58 18.890 18.625 2.025 1.00 1.85 C ATOM 2437 O SER B 58 18.748 19.623 1.314 1.00 2.46 O ATOM 2438 CB SER B 58 19.912 16.417 1.285 1.00 1.73 C ATOM 2439 OG SER B 58 19.523 16.581 -0.067 1.00 2.06 O ATOM 0 H SER B 58 20.659 16.726 3.633 1.00 1.70 H new ATOM 0 HA SER B 58 20.862 18.314 1.260 1.00 1.77 H new ATOM 0 HB2 SER B 58 20.811 15.804 1.343 1.00 1.73 H new ATOM 0 HB3 SER B 58 19.132 15.892 1.836 1.00 1.73 H new ATOM 0 HG SER B 58 19.360 15.702 -0.469 1.00 2.06 H new ATOM 2445 N LEU B 59 18.006 18.335 2.993 1.00 1.37 N ATOM 2446 CA LEU B 59 16.833 19.178 3.276 1.00 1.37 C ATOM 2447 C LEU B 59 17.230 20.635 3.583 1.00 1.47 C ATOM 2448 O LEU B 59 16.548 21.563 3.151 1.00 1.67 O ATOM 2449 CB LEU B 59 15.986 18.560 4.407 1.00 1.25 C ATOM 2450 CG LEU B 59 15.319 17.202 4.079 1.00 1.17 C ATOM 2451 CD1 LEU B 59 14.378 16.810 5.226 1.00 1.18 C ATOM 2452 CD2 LEU B 59 14.541 17.205 2.758 1.00 1.34 C ATOM 0 H LEU B 59 18.083 17.517 3.597 1.00 1.37 H new ATOM 0 HA LEU B 59 16.219 19.212 2.376 1.00 1.37 H new ATOM 0 HB2 LEU B 59 16.622 18.430 5.283 1.00 1.25 H new ATOM 0 HB3 LEU B 59 15.206 19.270 4.682 1.00 1.25 H new ATOM 0 HG LEU B 59 16.123 16.475 3.965 1.00 1.17 H new ATOM 0 HD11 LEU B 59 13.906 15.854 4.999 1.00 1.18 H new ATOM 0 HD12 LEU B 59 14.948 16.723 6.151 1.00 1.18 H new ATOM 0 HD13 LEU B 59 13.610 17.575 5.344 1.00 1.18 H new ATOM 0 HD21 LEU B 59 14.101 16.222 2.593 1.00 1.34 H new ATOM 0 HD22 LEU B 59 13.750 17.954 2.803 1.00 1.34 H new ATOM 0 HD23 LEU B 59 15.218 17.442 1.937 1.00 1.34 H new ATOM 2464 N ASP B 60 18.380 20.834 4.229 1.00 1.42 N ATOM 2465 CA ASP B 60 19.028 22.126 4.513 1.00 1.51 C ATOM 2466 C ASP B 60 19.306 23.001 3.275 1.00 1.56 C ATOM 2467 O ASP B 60 19.240 24.221 3.365 1.00 1.84 O ATOM 2468 CB ASP B 60 20.364 21.800 5.190 1.00 1.57 C ATOM 2469 CG ASP B 60 20.856 22.806 6.221 1.00 2.10 C ATOM 2470 OD1 ASP B 60 20.122 22.963 7.222 1.00 2.21 O ATOM 2471 OD2 ASP B 60 22.033 23.227 6.119 1.00 3.29 O ATOM 0 H ASP B 60 18.922 20.051 4.593 1.00 1.42 H new ATOM 0 HA ASP B 60 18.345 22.708 5.131 1.00 1.51 H new ATOM 0 HB2 ASP B 60 20.275 20.828 5.675 1.00 1.57 H new ATOM 0 HB3 ASP B 60 21.125 21.701 4.416 1.00 1.57 H new ATOM 2476 N LYS B 61 19.615 22.397 2.118 1.00 1.56 N ATOM 2477 CA LYS B 61 20.192 23.117 0.963 1.00 1.85 C ATOM 2478 C LYS B 61 19.268 24.186 0.359 1.00 1.80 C ATOM 2479 O LYS B 61 19.757 25.113 -0.281 1.00 2.03 O ATOM 2480 CB LYS B 61 20.596 22.122 -0.147 1.00 2.05 C ATOM 2481 CG LYS B 61 21.539 20.987 0.275 1.00 2.48 C ATOM 2482 CD LYS B 61 22.979 21.392 0.614 1.00 3.51 C ATOM 2483 CE LYS B 61 23.744 21.766 -0.662 1.00 4.27 C ATOM 2484 NZ LYS B 61 25.205 21.854 -0.418 1.00 6.08 N ATOM 0 H LYS B 61 19.474 21.400 1.953 1.00 1.56 H new ATOM 0 HA LYS B 61 21.064 23.638 1.358 1.00 1.85 H new ATOM 0 HB2 LYS B 61 19.689 21.679 -0.558 1.00 2.05 H new ATOM 0 HB3 LYS B 61 21.071 22.681 -0.953 1.00 2.05 H new ATOM 0 HG2 LYS B 61 21.109 20.490 1.145 1.00 2.48 H new ATOM 0 HG3 LYS B 61 21.570 20.251 -0.529 1.00 2.48 H new ATOM 0 HD2 LYS B 61 22.973 22.237 1.303 1.00 3.51 H new ATOM 0 HD3 LYS B 61 23.485 20.570 1.121 1.00 3.51 H new ATOM 0 HE2 LYS B 61 23.548 21.023 -1.435 1.00 4.27 H new ATOM 0 HE3 LYS B 61 23.379 22.722 -1.038 1.00 4.27 H new ATOM 0 HZ1 LYS B 61 25.690 22.109 -1.302 1.00 6.08 H new ATOM 0 HZ2 LYS B 61 25.394 22.580 0.302 1.00 6.08 H new ATOM 0 HZ3 LYS B 61 25.557 20.935 -0.083 1.00 6.08 H new ATOM 2498 N ASN B 62 17.952 24.031 0.524 1.00 1.59 N ATOM 2499 CA ASN B 62 16.931 24.970 0.032 1.00 1.69 C ATOM 2500 C ASN B 62 15.824 25.253 1.070 1.00 1.55 C ATOM 2501 O ASN B 62 15.130 26.249 0.946 1.00 2.28 O ATOM 2502 CB ASN B 62 16.315 24.433 -1.274 1.00 1.83 C ATOM 2503 CG ASN B 62 17.353 23.911 -2.267 1.00 1.98 C ATOM 2504 OD1 ASN B 62 17.534 22.712 -2.438 1.00 1.96 O ATOM 2505 ND2 ASN B 62 18.113 24.791 -2.884 1.00 2.85 N ATOM 0 H ASN B 62 17.553 23.231 1.015 1.00 1.59 H new ATOM 0 HA ASN B 62 17.432 25.920 -0.156 1.00 1.69 H new ATOM 0 HB2 ASN B 62 15.617 23.631 -1.034 1.00 1.83 H new ATOM 0 HB3 ASN B 62 15.738 25.227 -1.748 1.00 1.83 H new ATOM 0 HD21 ASN B 62 18.856 24.475 -3.507 1.00 2.85 H new ATOM 0 HD22 ASN B 62 17.959 25.789 -2.739 1.00 2.85 H new ATOM 2512 N SER B 63 15.658 24.368 2.059 1.00 1.15 N ATOM 2513 CA SER B 63 14.975 24.528 3.359 1.00 1.11 C ATOM 2514 C SER B 63 13.475 24.836 3.360 1.00 1.00 C ATOM 2515 O SER B 63 12.786 24.337 4.234 1.00 1.20 O ATOM 2516 CB SER B 63 15.731 25.470 4.304 1.00 1.54 C ATOM 2517 OG SER B 63 16.870 24.785 4.817 1.00 1.93 O ATOM 0 H SER B 63 16.035 23.425 1.965 1.00 1.15 H new ATOM 0 HA SER B 63 15.010 23.507 3.739 1.00 1.11 H new ATOM 0 HB2 SER B 63 16.039 26.371 3.773 1.00 1.54 H new ATOM 0 HB3 SER B 63 15.082 25.788 5.120 1.00 1.54 H new ATOM 0 HG SER B 63 17.559 24.731 4.122 1.00 1.93 H new ATOM 2523 N ASP B 64 12.893 25.528 2.383 1.00 1.11 N ATOM 2524 CA ASP B 64 11.643 26.286 2.569 1.00 1.36 C ATOM 2525 C ASP B 64 10.965 26.475 1.218 1.00 1.11 C ATOM 2526 O ASP B 64 10.140 27.359 0.996 1.00 1.63 O ATOM 2527 CB ASP B 64 11.912 27.604 3.318 1.00 1.97 C ATOM 2528 CG ASP B 64 12.157 27.339 4.802 1.00 3.05 C ATOM 2529 OD1 ASP B 64 11.176 26.969 5.486 1.00 4.53 O ATOM 2530 OD2 ASP B 64 13.325 27.431 5.234 1.00 3.32 O ATOM 0 H ASP B 64 13.270 25.583 1.437 1.00 1.11 H new ATOM 0 HA ASP B 64 10.951 25.728 3.200 1.00 1.36 H new ATOM 0 HB2 ASP B 64 12.778 28.105 2.885 1.00 1.97 H new ATOM 0 HB3 ASP B 64 11.062 28.276 3.199 1.00 1.97 H new ATOM 2535 N GLN B 65 11.276 25.535 0.324 1.00 0.93 N ATOM 2536 CA GLN B 65 10.234 25.067 -0.553 1.00 0.90 C ATOM 2537 C GLN B 65 9.177 24.317 0.259 1.00 0.82 C ATOM 2538 O GLN B 65 9.440 23.871 1.379 1.00 0.95 O ATOM 2539 CB GLN B 65 10.812 24.111 -1.593 1.00 1.09 C ATOM 2540 CG GLN B 65 11.510 22.875 -1.019 1.00 2.51 C ATOM 2541 CD GLN B 65 11.735 21.771 -2.048 1.00 3.49 C ATOM 2542 OE1 GLN B 65 12.820 21.639 -2.592 1.00 3.65 O ATOM 2543 NE2 GLN B 65 10.786 20.896 -2.275 1.00 4.71 N ATOM 0 H GLN B 65 12.194 25.109 0.199 1.00 0.93 H new ATOM 0 HA GLN B 65 9.787 25.927 -1.051 1.00 0.90 H new ATOM 0 HB2 GLN B 65 10.007 23.783 -2.250 1.00 1.09 H new ATOM 0 HB3 GLN B 65 11.524 24.658 -2.211 1.00 1.09 H new ATOM 0 HG2 GLN B 65 12.472 23.172 -0.600 1.00 2.51 H new ATOM 0 HG3 GLN B 65 10.913 22.479 -0.197 1.00 2.51 H new ATOM 0 HE21 GLN B 65 9.877 21.001 -1.824 1.00 4.71 H new ATOM 0 HE22 GLN B 65 10.956 20.110 -2.903 1.00 4.71 H new ATOM 2552 N GLU B 66 8.035 24.059 -0.369 1.00 0.81 N ATOM 2553 CA GLU B 66 7.125 23.040 0.114 1.00 0.73 C ATOM 2554 C GLU B 66 7.602 21.627 -0.255 1.00 0.71 C ATOM 2555 O GLU B 66 8.236 21.427 -1.288 1.00 0.91 O ATOM 2556 CB GLU B 66 5.720 23.324 -0.424 1.00 0.84 C ATOM 2557 CG GLU B 66 5.097 24.538 0.270 1.00 0.97 C ATOM 2558 CD GLU B 66 3.804 24.936 -0.426 1.00 1.51 C ATOM 2559 OE1 GLU B 66 2.782 24.261 -0.156 1.00 2.42 O ATOM 2560 OE2 GLU B 66 3.849 25.895 -1.226 1.00 2.20 O ATOM 0 H GLU B 66 7.723 24.543 -1.211 1.00 0.81 H new ATOM 0 HA GLU B 66 7.100 23.077 1.203 1.00 0.73 H new ATOM 0 HB2 GLU B 66 5.768 23.501 -1.498 1.00 0.84 H new ATOM 0 HB3 GLU B 66 5.086 22.450 -0.273 1.00 0.84 H new ATOM 0 HG2 GLU B 66 4.898 24.306 1.316 1.00 0.97 H new ATOM 0 HG3 GLU B 66 5.798 25.373 0.256 1.00 0.97 H new ATOM 2567 N ILE B 67 7.296 20.665 0.615 1.00 0.62 N ATOM 2568 CA ILE B 67 7.424 19.212 0.438 1.00 0.67 C ATOM 2569 C ILE B 67 6.026 18.592 0.578 1.00 0.64 C ATOM 2570 O ILE B 67 5.247 19.056 1.417 1.00 0.67 O ATOM 2571 CB ILE B 67 8.363 18.644 1.536 1.00 0.85 C ATOM 2572 CG1 ILE B 67 9.785 19.235 1.419 1.00 1.31 C ATOM 2573 CG2 ILE B 67 8.442 17.113 1.469 1.00 1.58 C ATOM 2574 CD1 ILE B 67 10.768 18.617 2.422 1.00 1.46 C ATOM 0 H ILE B 67 6.922 20.896 1.536 1.00 0.62 H new ATOM 0 HA ILE B 67 7.842 18.978 -0.541 1.00 0.67 H new ATOM 0 HB ILE B 67 7.936 18.933 2.496 1.00 0.85 H new ATOM 0 HG12 ILE B 67 10.158 19.077 0.407 1.00 1.31 H new ATOM 0 HG13 ILE B 67 9.740 20.313 1.577 1.00 1.31 H new ATOM 0 HG21 ILE B 67 9.108 16.748 2.251 1.00 1.58 H new ATOM 0 HG22 ILE B 67 7.447 16.691 1.613 1.00 1.58 H new ATOM 0 HG23 ILE B 67 8.827 16.811 0.495 1.00 1.58 H new ATOM 0 HD11 ILE B 67 11.751 19.070 2.294 1.00 1.46 H new ATOM 0 HD12 ILE B 67 10.414 18.798 3.437 1.00 1.46 H new ATOM 0 HD13 ILE B 67 10.838 17.543 2.248 1.00 1.46 H new ATOM 2586 N ASP B 68 5.728 17.523 -0.168 1.00 0.71 N ATOM 2587 CA ASP B 68 4.479 16.749 -0.052 1.00 0.76 C ATOM 2588 C ASP B 68 4.596 15.457 0.798 1.00 0.73 C ATOM 2589 O ASP B 68 5.672 14.961 1.143 1.00 0.97 O ATOM 2590 CB ASP B 68 3.869 16.493 -1.455 1.00 0.93 C ATOM 2591 CG ASP B 68 4.161 15.114 -2.075 1.00 1.18 C ATOM 2592 OD1 ASP B 68 5.287 14.595 -1.926 1.00 2.25 O ATOM 2593 OD2 ASP B 68 3.223 14.506 -2.645 1.00 1.62 O ATOM 0 H ASP B 68 6.358 17.161 -0.884 1.00 0.71 H new ATOM 0 HA ASP B 68 3.786 17.368 0.518 1.00 0.76 H new ATOM 0 HB2 ASP B 68 2.788 16.618 -1.388 1.00 0.93 H new ATOM 0 HB3 ASP B 68 4.237 17.261 -2.135 1.00 0.93 H new ATOM 2598 N PHE B 69 3.446 14.850 1.100 1.00 0.65 N ATOM 2599 CA PHE B 69 3.324 13.573 1.819 1.00 0.63 C ATOM 2600 C PHE B 69 4.067 12.386 1.155 1.00 0.61 C ATOM 2601 O PHE B 69 4.343 11.377 1.809 1.00 0.65 O ATOM 2602 CB PHE B 69 1.824 13.275 1.997 1.00 0.76 C ATOM 2603 CG PHE B 69 0.956 13.677 0.812 1.00 2.41 C ATOM 2604 CD1 PHE B 69 1.039 12.971 -0.403 1.00 4.04 C ATOM 2605 CD2 PHE B 69 0.148 14.831 0.889 1.00 3.87 C ATOM 2606 CE1 PHE B 69 0.323 13.413 -1.529 1.00 6.19 C ATOM 2607 CE2 PHE B 69 -0.574 15.266 -0.234 1.00 5.94 C ATOM 2608 CZ PHE B 69 -0.490 14.556 -1.443 1.00 6.93 C ATOM 0 H PHE B 69 2.541 15.245 0.843 1.00 0.65 H new ATOM 0 HA PHE B 69 3.820 13.683 2.784 1.00 0.63 H new ATOM 0 HB2 PHE B 69 1.697 12.208 2.179 1.00 0.76 H new ATOM 0 HB3 PHE B 69 1.466 13.794 2.886 1.00 0.76 H new ATOM 0 HD1 PHE B 69 1.655 12.086 -0.470 1.00 4.04 H new ATOM 0 HD2 PHE B 69 0.085 15.382 1.816 1.00 3.87 H new ATOM 0 HE1 PHE B 69 0.398 12.873 -2.462 1.00 6.19 H new ATOM 0 HE2 PHE B 69 -1.195 16.147 -0.168 1.00 5.94 H new ATOM 0 HZ PHE B 69 -1.049 14.888 -2.305 1.00 6.93 H new ATOM 2618 N LYS B 70 4.405 12.463 -0.133 1.00 0.62 N ATOM 2619 CA LYS B 70 5.012 11.386 -0.914 1.00 0.67 C ATOM 2620 C LYS B 70 6.540 11.441 -0.856 1.00 0.69 C ATOM 2621 O LYS B 70 7.169 10.414 -0.577 1.00 0.71 O ATOM 2622 CB LYS B 70 4.498 11.538 -2.342 1.00 0.92 C ATOM 2623 CG LYS B 70 4.458 10.229 -3.135 1.00 1.24 C ATOM 2624 CD LYS B 70 3.947 10.487 -4.557 1.00 2.06 C ATOM 2625 CE LYS B 70 2.514 11.052 -4.558 1.00 3.33 C ATOM 2626 NZ LYS B 70 1.965 11.206 -5.926 1.00 4.48 N ATOM 0 H LYS B 70 4.257 13.310 -0.681 1.00 0.62 H new ATOM 0 HA LYS B 70 4.737 10.413 -0.508 1.00 0.67 H new ATOM 0 HB2 LYS B 70 3.495 11.963 -2.312 1.00 0.92 H new ATOM 0 HB3 LYS B 70 5.131 12.251 -2.870 1.00 0.92 H new ATOM 0 HG2 LYS B 70 5.454 9.788 -3.173 1.00 1.24 H new ATOM 0 HG3 LYS B 70 3.810 9.511 -2.633 1.00 1.24 H new ATOM 0 HD2 LYS B 70 4.614 11.187 -5.061 1.00 2.06 H new ATOM 0 HD3 LYS B 70 3.971 9.558 -5.126 1.00 2.06 H new ATOM 0 HE2 LYS B 70 1.866 10.391 -3.982 1.00 3.33 H new ATOM 0 HE3 LYS B 70 2.508 12.020 -4.057 1.00 3.33 H new ATOM 0 HZ1 LYS B 70 1.230 11.942 -5.924 1.00 4.48 H new ATOM 0 HZ2 LYS B 70 2.728 11.480 -6.577 1.00 4.48 H new ATOM 0 HZ3 LYS B 70 1.551 10.304 -6.238 1.00 4.48 H new ATOM 2640 N GLU B 71 7.107 12.643 -1.001 1.00 0.73 N ATOM 2641 CA GLU B 71 8.476 12.961 -0.593 1.00 0.73 C ATOM 2642 C GLU B 71 8.705 12.505 0.857 1.00 0.69 C ATOM 2643 O GLU B 71 9.697 11.858 1.180 1.00 0.77 O ATOM 2644 CB GLU B 71 8.716 14.469 -0.667 1.00 0.82 C ATOM 2645 CG GLU B 71 8.689 15.079 -2.070 1.00 1.01 C ATOM 2646 CD GLU B 71 9.602 16.307 -2.127 1.00 1.88 C ATOM 2647 OE1 GLU B 71 10.834 16.106 -2.156 1.00 2.06 O ATOM 2648 OE2 GLU B 71 9.076 17.446 -2.078 1.00 3.28 O ATOM 0 H GLU B 71 6.616 13.436 -1.413 1.00 0.73 H new ATOM 0 HA GLU B 71 9.162 12.446 -1.265 1.00 0.73 H new ATOM 0 HB2 GLU B 71 7.961 14.968 -0.060 1.00 0.82 H new ATOM 0 HB3 GLU B 71 9.684 14.687 -0.215 1.00 0.82 H new ATOM 0 HG2 GLU B 71 9.014 14.340 -2.803 1.00 1.01 H new ATOM 0 HG3 GLU B 71 7.670 15.361 -2.333 1.00 1.01 H new ATOM 2655 N TYR B 72 7.718 12.738 1.722 1.00 0.63 N ATOM 2656 CA TYR B 72 7.784 12.350 3.139 1.00 0.60 C ATOM 2657 C TYR B 72 7.837 10.824 3.299 1.00 0.61 C ATOM 2658 O TYR B 72 8.692 10.294 4.008 1.00 0.64 O ATOM 2659 CB TYR B 72 6.591 13.007 3.845 1.00 0.57 C ATOM 2660 CG TYR B 72 6.198 12.515 5.225 1.00 0.58 C ATOM 2661 CD1 TYR B 72 7.087 12.642 6.306 1.00 1.60 C ATOM 2662 CD2 TYR B 72 4.877 12.074 5.453 1.00 1.60 C ATOM 2663 CE1 TYR B 72 6.636 12.423 7.624 1.00 1.70 C ATOM 2664 CE2 TYR B 72 4.429 11.828 6.765 1.00 1.59 C ATOM 2665 CZ TYR B 72 5.299 12.031 7.857 1.00 0.79 C ATOM 2666 OH TYR B 72 4.852 11.885 9.136 1.00 0.98 O ATOM 0 H TYR B 72 6.847 13.202 1.464 1.00 0.63 H new ATOM 0 HA TYR B 72 8.704 12.702 3.605 1.00 0.60 H new ATOM 0 HB2 TYR B 72 6.800 14.074 3.922 1.00 0.57 H new ATOM 0 HB3 TYR B 72 5.722 12.898 3.196 1.00 0.57 H new ATOM 0 HD1 TYR B 72 8.118 12.908 6.127 1.00 1.60 H new ATOM 0 HD2 TYR B 72 4.208 11.925 4.619 1.00 1.60 H new ATOM 0 HE1 TYR B 72 7.313 12.555 8.455 1.00 1.70 H new ATOM 0 HE2 TYR B 72 3.420 11.484 6.935 1.00 1.59 H new ATOM 0 HH TYR B 72 3.873 11.846 9.138 1.00 0.98 H new ATOM 2676 N SER B 73 6.995 10.097 2.558 1.00 0.66 N ATOM 2677 CA SER B 73 7.004 8.637 2.489 1.00 0.83 C ATOM 2678 C SER B 73 8.338 8.080 1.979 1.00 0.85 C ATOM 2679 O SER B 73 8.849 7.140 2.592 1.00 0.91 O ATOM 2680 CB SER B 73 5.847 8.162 1.599 1.00 1.08 C ATOM 2681 OG SER B 73 5.961 6.794 1.237 1.00 1.75 O ATOM 0 H SER B 73 6.272 10.520 1.976 1.00 0.66 H new ATOM 0 HA SER B 73 6.875 8.255 3.502 1.00 0.83 H new ATOM 0 HB2 SER B 73 4.904 8.318 2.122 1.00 1.08 H new ATOM 0 HB3 SER B 73 5.815 8.771 0.696 1.00 1.08 H new ATOM 0 HG SER B 73 5.693 6.680 0.301 1.00 1.75 H new ATOM 2687 N VAL B 74 8.926 8.636 0.906 1.00 0.85 N ATOM 2688 CA VAL B 74 10.225 8.154 0.407 1.00 0.93 C ATOM 2689 C VAL B 74 11.372 8.529 1.336 1.00 0.92 C ATOM 2690 O VAL B 74 12.293 7.735 1.436 1.00 1.00 O ATOM 2691 CB VAL B 74 10.588 8.571 -1.032 1.00 0.98 C ATOM 2692 CG1 VAL B 74 9.602 7.967 -2.035 1.00 1.01 C ATOM 2693 CG2 VAL B 74 10.700 10.076 -1.273 1.00 0.92 C ATOM 0 H VAL B 74 8.529 9.410 0.373 1.00 0.85 H new ATOM 0 HA VAL B 74 10.088 7.073 0.387 1.00 0.93 H new ATOM 0 HB VAL B 74 11.592 8.173 -1.182 1.00 0.98 H new ATOM 0 HG11 VAL B 74 9.876 8.274 -3.044 1.00 1.01 H new ATOM 0 HG12 VAL B 74 9.632 6.880 -1.965 1.00 1.01 H new ATOM 0 HG13 VAL B 74 8.594 8.317 -1.811 1.00 1.01 H new ATOM 0 HG21 VAL B 74 10.959 10.259 -2.316 1.00 0.92 H new ATOM 0 HG22 VAL B 74 9.746 10.553 -1.047 1.00 0.92 H new ATOM 0 HG23 VAL B 74 11.475 10.491 -0.629 1.00 0.92 H new ATOM 2703 N PHE B 75 11.328 9.658 2.053 1.00 0.83 N ATOM 2704 CA PHE B 75 12.372 10.031 3.011 1.00 0.83 C ATOM 2705 C PHE B 75 12.336 9.106 4.234 1.00 0.82 C ATOM 2706 O PHE B 75 13.373 8.568 4.619 1.00 0.88 O ATOM 2707 CB PHE B 75 12.198 11.511 3.386 1.00 0.78 C ATOM 2708 CG PHE B 75 13.343 12.119 4.181 1.00 0.72 C ATOM 2709 CD1 PHE B 75 13.378 12.024 5.588 1.00 1.66 C ATOM 2710 CD2 PHE B 75 14.367 12.818 3.511 1.00 1.86 C ATOM 2711 CE1 PHE B 75 14.425 12.624 6.314 1.00 1.75 C ATOM 2712 CE2 PHE B 75 15.394 13.440 4.240 1.00 1.80 C ATOM 2713 CZ PHE B 75 15.432 13.334 5.641 1.00 0.79 C ATOM 0 H PHE B 75 10.569 10.336 1.985 1.00 0.83 H new ATOM 0 HA PHE B 75 13.357 9.909 2.561 1.00 0.83 H new ATOM 0 HB2 PHE B 75 12.067 12.088 2.470 1.00 0.78 H new ATOM 0 HB3 PHE B 75 11.280 11.617 3.964 1.00 0.78 H new ATOM 0 HD1 PHE B 75 12.599 11.489 6.111 1.00 1.66 H new ATOM 0 HD2 PHE B 75 14.362 12.876 2.433 1.00 1.86 H new ATOM 0 HE1 PHE B 75 14.453 12.538 7.390 1.00 1.75 H new ATOM 0 HE2 PHE B 75 16.157 14.002 3.722 1.00 1.80 H new ATOM 0 HZ PHE B 75 16.233 13.797 6.198 1.00 0.79 H new ATOM 2723 N LEU B 76 11.152 8.831 4.798 1.00 0.78 N ATOM 2724 CA LEU B 76 10.986 7.854 5.887 1.00 0.80 C ATOM 2725 C LEU B 76 11.334 6.425 5.455 1.00 0.87 C ATOM 2726 O LEU B 76 12.026 5.715 6.188 1.00 0.88 O ATOM 2727 CB LEU B 76 9.534 7.876 6.394 1.00 0.76 C ATOM 2728 CG LEU B 76 9.084 9.178 7.082 1.00 0.85 C ATOM 2729 CD1 LEU B 76 7.587 9.054 7.388 1.00 1.25 C ATOM 2730 CD2 LEU B 76 9.879 9.469 8.358 1.00 1.12 C ATOM 0 H LEU B 76 10.281 9.279 4.513 1.00 0.78 H new ATOM 0 HA LEU B 76 11.677 8.145 6.678 1.00 0.80 H new ATOM 0 HB2 LEU B 76 8.871 7.686 5.550 1.00 0.76 H new ATOM 0 HB3 LEU B 76 9.401 7.052 7.095 1.00 0.76 H new ATOM 0 HG LEU B 76 9.272 10.018 6.413 1.00 0.85 H new ATOM 0 HD11 LEU B 76 7.239 9.964 7.877 1.00 1.25 H new ATOM 0 HD12 LEU B 76 7.037 8.908 6.459 1.00 1.25 H new ATOM 0 HD13 LEU B 76 7.420 8.202 8.046 1.00 1.25 H new ATOM 0 HD21 LEU B 76 9.523 10.397 8.805 1.00 1.12 H new ATOM 0 HD22 LEU B 76 9.744 8.651 9.065 1.00 1.12 H new ATOM 0 HD23 LEU B 76 10.937 9.566 8.113 1.00 1.12 H new ATOM 2742 N THR B 77 10.885 6.011 4.261 1.00 0.90 N ATOM 2743 CA THR B 77 11.173 4.676 3.710 1.00 0.94 C ATOM 2744 C THR B 77 12.661 4.522 3.422 1.00 1.02 C ATOM 2745 O THR B 77 13.227 3.493 3.758 1.00 1.11 O ATOM 2746 CB THR B 77 10.306 4.371 2.484 1.00 0.87 C ATOM 2747 OG1 THR B 77 8.958 4.379 2.881 1.00 0.83 O ATOM 2748 CG2 THR B 77 10.613 2.982 1.924 1.00 0.90 C ATOM 0 H THR B 77 10.312 6.592 3.649 1.00 0.90 H new ATOM 0 HA THR B 77 10.909 3.933 4.463 1.00 0.94 H new ATOM 0 HB THR B 77 10.511 5.121 1.720 1.00 0.87 H new ATOM 0 HG1 THR B 77 8.616 5.297 2.860 1.00 0.83 H new ATOM 0 HG21 THR B 77 9.983 2.793 1.055 1.00 0.90 H new ATOM 0 HG22 THR B 77 11.661 2.932 1.630 1.00 0.90 H new ATOM 0 HG23 THR B 77 10.414 2.230 2.687 1.00 0.90 H new ATOM 2756 N MET B 78 13.305 5.557 2.881 1.00 0.99 N ATOM 2757 CA MET B 78 14.757 5.632 2.691 1.00 1.02 C ATOM 2758 C MET B 78 15.513 5.530 4.016 1.00 0.97 C ATOM 2759 O MET B 78 16.530 4.848 4.059 1.00 1.10 O ATOM 2760 CB MET B 78 15.075 6.934 1.949 1.00 1.01 C ATOM 2761 CG MET B 78 16.561 7.219 1.762 1.00 1.23 C ATOM 2762 SD MET B 78 16.921 8.487 0.514 1.00 1.75 S ATOM 2763 CE MET B 78 15.844 9.833 1.069 1.00 1.71 C ATOM 0 H MET B 78 12.818 6.391 2.553 1.00 0.99 H new ATOM 0 HA MET B 78 15.092 4.782 2.097 1.00 1.02 H new ATOM 0 HB2 MET B 78 14.600 6.902 0.969 1.00 1.01 H new ATOM 0 HB3 MET B 78 14.626 7.765 2.494 1.00 1.01 H new ATOM 0 HG2 MET B 78 16.983 7.534 2.717 1.00 1.23 H new ATOM 0 HG3 MET B 78 17.065 6.294 1.481 1.00 1.23 H new ATOM 0 HE1 MET B 78 16.183 10.773 0.634 1.00 1.71 H new ATOM 0 HE2 MET B 78 14.820 9.635 0.751 1.00 1.71 H new ATOM 0 HE3 MET B 78 15.879 9.903 2.156 1.00 1.71 H new ATOM 2773 N LEU B 79 15.009 6.140 5.096 1.00 0.81 N ATOM 2774 CA LEU B 79 15.584 6.010 6.439 1.00 0.76 C ATOM 2775 C LEU B 79 15.512 4.554 6.926 1.00 0.90 C ATOM 2776 O LEU B 79 16.512 4.021 7.395 1.00 0.99 O ATOM 2777 CB LEU B 79 14.865 6.968 7.414 1.00 0.73 C ATOM 2778 CG LEU B 79 15.763 7.622 8.481 1.00 0.84 C ATOM 2779 CD1 LEU B 79 16.701 6.643 9.194 1.00 1.47 C ATOM 2780 CD2 LEU B 79 16.555 8.787 7.870 1.00 1.86 C ATOM 0 H LEU B 79 14.186 6.741 5.061 1.00 0.81 H new ATOM 0 HA LEU B 79 16.637 6.288 6.401 1.00 0.76 H new ATOM 0 HB2 LEU B 79 14.386 7.757 6.834 1.00 0.73 H new ATOM 0 HB3 LEU B 79 14.072 6.417 7.919 1.00 0.73 H new ATOM 0 HG LEU B 79 15.091 7.998 9.252 1.00 0.84 H new ATOM 0 HD11 LEU B 79 17.299 7.182 9.929 1.00 1.47 H new ATOM 0 HD12 LEU B 79 16.112 5.876 9.697 1.00 1.47 H new ATOM 0 HD13 LEU B 79 17.360 6.174 8.464 1.00 1.47 H new ATOM 0 HD21 LEU B 79 17.185 9.240 8.636 1.00 1.86 H new ATOM 0 HD22 LEU B 79 17.180 8.416 7.058 1.00 1.86 H new ATOM 0 HD23 LEU B 79 15.862 9.534 7.482 1.00 1.86 H new ATOM 2792 N CYS B 80 14.354 3.902 6.755 1.00 1.01 N ATOM 2793 CA CYS B 80 14.137 2.485 7.080 1.00 1.25 C ATOM 2794 C CYS B 80 15.025 1.539 6.246 1.00 1.42 C ATOM 2795 O CYS B 80 15.535 0.554 6.769 1.00 1.57 O ATOM 2796 CB CYS B 80 12.636 2.196 6.907 1.00 1.33 C ATOM 2797 SG CYS B 80 12.260 0.526 7.513 1.00 1.75 S ATOM 0 H CYS B 80 13.522 4.356 6.378 1.00 1.01 H new ATOM 0 HA CYS B 80 14.435 2.293 8.111 1.00 1.25 H new ATOM 0 HB2 CYS B 80 12.049 2.933 7.455 1.00 1.33 H new ATOM 0 HB3 CYS B 80 12.358 2.283 5.857 1.00 1.33 H new ATOM 0 HG CYS B 80 10.991 0.287 7.367 1.00 1.75 H new ATOM 2803 N MET B 81 15.276 1.833 4.966 1.00 1.49 N ATOM 2804 CA MET B 81 16.218 1.079 4.130 1.00 1.69 C ATOM 2805 C MET B 81 17.687 1.366 4.463 1.00 1.62 C ATOM 2806 O MET B 81 18.543 0.530 4.191 1.00 1.82 O ATOM 2807 CB MET B 81 15.942 1.395 2.656 1.00 1.91 C ATOM 2808 CG MET B 81 14.552 0.916 2.207 1.00 2.08 C ATOM 2809 SD MET B 81 14.227 1.230 0.455 1.00 3.07 S ATOM 2810 CE MET B 81 15.000 -0.291 -0.134 1.00 3.33 C ATOM 0 H MET B 81 14.828 2.607 4.476 1.00 1.49 H new ATOM 0 HA MET B 81 16.059 0.020 4.334 1.00 1.69 H new ATOM 0 HB2 MET B 81 16.023 2.470 2.496 1.00 1.91 H new ATOM 0 HB3 MET B 81 16.704 0.923 2.037 1.00 1.91 H new ATOM 0 HG2 MET B 81 14.462 -0.153 2.402 1.00 2.08 H new ATOM 0 HG3 MET B 81 13.791 1.415 2.807 1.00 2.08 H new ATOM 0 HE1 MET B 81 15.487 -0.105 -1.091 1.00 3.33 H new ATOM 0 HE2 MET B 81 15.741 -0.627 0.591 1.00 3.33 H new ATOM 0 HE3 MET B 81 14.239 -1.061 -0.258 1.00 3.33 H new ATOM 2820 N ALA B 82 17.980 2.539 5.034 1.00 1.46 N ATOM 2821 CA ALA B 82 19.325 2.943 5.432 1.00 1.50 C ATOM 2822 C ALA B 82 19.815 2.297 6.743 1.00 1.49 C ATOM 2823 O ALA B 82 21.008 2.383 7.035 1.00 1.62 O ATOM 2824 CB ALA B 82 19.380 4.474 5.497 1.00 1.50 C ATOM 0 H ALA B 82 17.272 3.245 5.235 1.00 1.46 H new ATOM 0 HA ALA B 82 20.017 2.574 4.675 1.00 1.50 H new ATOM 0 HB1 ALA B 82 20.380 4.790 5.793 1.00 1.50 H new ATOM 0 HB2 ALA B 82 19.144 4.888 4.517 1.00 1.50 H new ATOM 0 HB3 ALA B 82 18.655 4.833 6.227 1.00 1.50 H new ATOM 2830 N TYR B 83 18.925 1.643 7.506 1.00 1.44 N ATOM 2831 CA TYR B 83 19.272 0.766 8.625 1.00 1.47 C ATOM 2832 C TYR B 83 18.096 -0.165 9.004 1.00 1.56 C ATOM 2833 O TYR B 83 17.094 0.267 9.570 1.00 2.76 O ATOM 2834 CB TYR B 83 19.838 1.573 9.823 1.00 1.66 C ATOM 2835 CG TYR B 83 18.830 2.091 10.830 1.00 1.54 C ATOM 2836 CD1 TYR B 83 18.105 3.280 10.611 1.00 2.02 C ATOM 2837 CD2 TYR B 83 18.574 1.315 11.980 1.00 2.51 C ATOM 2838 CE1 TYR B 83 17.076 3.640 11.497 1.00 1.95 C ATOM 2839 CE2 TYR B 83 17.566 1.687 12.882 1.00 2.90 C ATOM 2840 CZ TYR B 83 16.771 2.822 12.605 1.00 2.03 C ATOM 2841 OH TYR B 83 15.700 3.138 13.373 1.00 2.45 O ATOM 0 H TYR B 83 17.919 1.714 7.354 1.00 1.44 H new ATOM 0 HA TYR B 83 20.078 0.106 8.303 1.00 1.47 H new ATOM 0 HB2 TYR B 83 20.553 0.942 10.351 1.00 1.66 H new ATOM 0 HB3 TYR B 83 20.393 2.424 9.428 1.00 1.66 H new ATOM 0 HD1 TYR B 83 18.339 3.911 9.766 1.00 2.02 H new ATOM 0 HD2 TYR B 83 19.159 0.427 12.168 1.00 2.51 H new ATOM 0 HE1 TYR B 83 16.516 4.548 11.329 1.00 1.95 H new ATOM 0 HE2 TYR B 83 17.399 1.111 13.780 1.00 2.90 H new ATOM 0 HH TYR B 83 15.920 2.992 14.317 1.00 2.45 H new ATOM 2851 N ASN B 84 18.234 -1.474 8.741 1.00 1.53 N ATOM 2852 CA ASN B 84 17.267 -2.493 9.175 1.00 1.48 C ATOM 2853 C ASN B 84 17.828 -3.927 9.107 1.00 1.49 C ATOM 2854 O ASN B 84 18.340 -4.353 8.076 1.00 2.27 O ATOM 2855 CB ASN B 84 15.986 -2.378 8.335 1.00 1.76 C ATOM 2856 CG ASN B 84 14.888 -3.266 8.882 1.00 2.41 C ATOM 2857 OD1 ASN B 84 14.873 -4.465 8.663 1.00 3.67 O ATOM 2858 ND2 ASN B 84 13.962 -2.721 9.646 1.00 2.69 N ATOM 0 H ASN B 84 19.023 -1.856 8.219 1.00 1.53 H new ATOM 0 HA ASN B 84 17.045 -2.301 10.225 1.00 1.48 H new ATOM 0 HB2 ASN B 84 15.647 -1.342 8.324 1.00 1.76 H new ATOM 0 HB3 ASN B 84 16.200 -2.654 7.302 1.00 1.76 H new ATOM 0 HD21 ASN B 84 13.231 -3.303 10.055 1.00 2.69 H new ATOM 0 HD22 ASN B 84 13.977 -1.717 9.828 1.00 2.69 H new ATOM 2865 N ASP B 85 17.687 -4.681 10.203 1.00 1.70 N ATOM 2866 CA ASP B 85 18.138 -6.075 10.329 1.00 1.99 C ATOM 2867 C ASP B 85 16.992 -7.115 10.274 1.00 2.01 C ATOM 2868 O ASP B 85 17.240 -8.309 10.415 1.00 2.36 O ATOM 2869 CB ASP B 85 18.892 -6.224 11.662 1.00 3.10 C ATOM 2870 CG ASP B 85 20.111 -5.303 11.794 1.00 3.31 C ATOM 2871 OD1 ASP B 85 19.915 -4.132 12.192 1.00 4.03 O ATOM 2872 OD2 ASP B 85 21.236 -5.800 11.524 1.00 3.89 O ATOM 0 H ASP B 85 17.244 -4.330 11.052 1.00 1.70 H new ATOM 0 HA ASP B 85 18.779 -6.282 9.472 1.00 1.99 H new ATOM 0 HB2 ASP B 85 18.204 -6.019 12.482 1.00 3.10 H new ATOM 0 HB3 ASP B 85 19.217 -7.259 11.770 1.00 3.10 H new