USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 30:sc= 0.597 USER MOD Set 1.2: A 111 ASN : amide:sc= -1.3! C(o=0.39!,f=-0.96!) USER MOD Set 1.3: A 116 ASN : amide:sc= 1.09 K(o=0.39,f=-2.9!) USER MOD Set 2.1: A 102 MET CE :methyl 141:sc= -3.33! (180deg=-3.32!) USER MOD Set 2.2: A 140 MET CE :methyl 151:sc= -0.181 (180deg=-0.846) USER MOD Set 3.1: A 95 TYR OH : rot 133:sc= -2.02! USER MOD Set 3.2: A 101 CYS SG : rot 25:sc= -0.112! USER MOD Set 4.1: A 79 ASN : amide:sc= -0.192 X(o=1.1,f=1.1) USER MOD Set 4.2: A 107 THR OG1 : rot 82:sc= 1.32 USER MOD Set 5.1: A 54 GLN : amide:sc= -0.424! C(o=1.5!,f=0.21!) USER MOD Set 5.2: A 60 TYR OH : rot -6:sc= 1.94 USER MOD Set 6.1: A 49 THR OG1 : rot 97:sc= 2.24 USER MOD Set 6.2: A 136 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0) USER MOD Set 7.1: A 40 GLN : amide:sc=-0.00709 X(o=-0.48,f=0) USER MOD Set 7.2: A 43 GLN : amide:sc= -0.469 X(o=-0.48,f=0) USER MOD Set 8.1: A 38 GLN : amide:sc= 1.72 K(o=3.5,f=0.91) USER MOD Set 8.2: A 97 SER OG : rot 93:sc= 0.965 USER MOD Set 8.3: A 99 SER OG : rot -61:sc= 0.85 USER MOD Set 9.1: A 31 LYS NZ :NH3+ 165:sc= 0.538 (180deg=-0.315!) USER MOD Set 9.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.21 USER MOD Single : A 28 ASN : amide:sc=-0.00897 K(o=-0.009,f=-9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 171:sc= 1.33 USER MOD Single : A 37 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.32) USER MOD Single : A 41 TYR OH : rot -77:sc= 1.28 USER MOD Single : A 42 MET CE :methyl -105:sc= -1.1 (180deg=-3.35!) USER MOD Single : A 44 ASN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.484 (180deg=0.326) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.43 K(o=-3.4,f=-5.4!) USER MOD Single : A 61 GLN : amide:sc= 0.0241 X(o=0.024,f=-0.028) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0306) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 74 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-4.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -151:sc= -0.176 (180deg=-1.07) USER MOD Single : A 83 MET CE :methyl 159:sc= -1.67 (180deg=-3.01!) USER MOD Single : A 85 THR OG1 : rot -109:sc= 1.27 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.31) USER MOD Single : A 93 ASN : amide:sc= 0.842 K(o=0.84,f=-0.39) USER MOD Single : A 103 GLN : amide:sc= 1.61 K(o=1.6,f=-0.1) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -92:sc= 0.425 USER MOD Single : A 112 CYS SG : rot 171:sc= -3.16! USER MOD Single : A 113 TYR OH : rot -162:sc= 1.25 USER MOD Single : A 115 TYR OH : rot 159:sc= 1.24 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 125 MET CE :methyl 164:sc=-0.00969 (180deg=-0.321) USER MOD Single : A 127 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.14) USER MOD Single : A 131 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.72) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 139 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.062) USER MOD Single : A 142 GLN : amide:sc= 1.01 K(o=1,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 6.394 -12.888 2.793 1.00 0.93 N ATOM 69 CA VAL A 26 7.038 -11.971 3.717 1.00 0.84 C ATOM 70 C VAL A 26 8.537 -12.266 3.796 1.00 0.83 C ATOM 71 O VAL A 26 9.320 -11.465 4.309 1.00 0.85 O ATOM 72 CB VAL A 26 6.371 -12.038 5.116 1.00 0.83 C ATOM 73 CG1 VAL A 26 7.184 -12.867 6.102 1.00 0.93 C ATOM 74 CG2 VAL A 26 6.127 -10.638 5.657 1.00 0.83 C ATOM 0 HA VAL A 26 6.913 -10.954 3.345 1.00 0.84 H new ATOM 0 HB VAL A 26 5.411 -12.540 4.995 1.00 0.83 H new ATOM 0 HG11 VAL A 26 6.677 -12.885 7.067 1.00 0.93 H new ATOM 0 HG12 VAL A 26 7.284 -13.885 5.726 1.00 0.93 H new ATOM 0 HG13 VAL A 26 8.173 -12.425 6.220 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.659 -10.704 6.639 1.00 0.83 H new ATOM 0 HG22 VAL A 26 7.077 -10.110 5.743 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.470 -10.095 4.978 1.00 0.83 H new ATOM 84 N SER A 27 8.924 -13.413 3.248 1.00 0.91 N ATOM 85 CA SER A 27 10.314 -13.841 3.209 1.00 1.00 C ATOM 86 C SER A 27 10.504 -14.827 2.058 1.00 1.07 C ATOM 87 O SER A 27 9.645 -15.679 1.816 1.00 1.19 O ATOM 88 CB SER A 27 10.719 -14.507 4.531 1.00 1.15 C ATOM 89 OG SER A 27 10.293 -13.750 5.653 1.00 1.61 O ATOM 0 H SER A 27 8.278 -14.074 2.817 1.00 0.91 H new ATOM 0 HA SER A 27 10.946 -12.966 3.059 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.288 -15.507 4.582 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.802 -14.625 4.562 1.00 1.15 H new ATOM 0 HG SER A 27 10.566 -14.204 6.477 1.00 1.61 H new ATOM 95 N ASN A 28 11.610 -14.698 1.341 1.00 1.07 N ATOM 96 CA ASN A 28 11.918 -15.598 0.233 1.00 1.18 C ATOM 97 C ASN A 28 13.424 -15.856 0.158 1.00 1.23 C ATOM 98 O ASN A 28 14.228 -14.946 0.358 1.00 1.12 O ATOM 99 CB ASN A 28 11.411 -15.007 -1.089 1.00 1.19 C ATOM 100 CG ASN A 28 11.488 -15.984 -2.253 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.569 -16.342 -2.712 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.341 -16.407 -2.748 1.00 1.48 N ATOM 0 H ASN A 28 12.313 -13.977 1.505 1.00 1.07 H new ATOM 0 HA ASN A 28 11.413 -16.548 0.406 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.378 -14.684 -0.962 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.995 -14.119 -1.330 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.333 -17.053 -3.538 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.462 -16.088 -2.341 1.00 1.48 H new ATOM 109 N PRO A 29 13.825 -17.112 -0.087 1.00 1.46 N ATOM 110 CA PRO A 29 15.240 -17.491 -0.233 1.00 1.60 C ATOM 111 C PRO A 29 15.880 -16.958 -1.518 1.00 1.54 C ATOM 112 O PRO A 29 16.964 -16.378 -1.486 1.00 1.54 O ATOM 113 CB PRO A 29 15.180 -19.019 -0.274 1.00 1.87 C ATOM 114 CG PRO A 29 13.826 -19.318 -0.808 1.00 1.86 C ATOM 115 CD PRO A 29 12.931 -18.279 -0.213 1.00 1.65 C ATOM 0 HA PRO A 29 15.850 -17.079 0.571 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.960 -19.431 -0.914 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.321 -19.450 0.717 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.813 -19.272 -1.897 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.505 -20.321 -0.528 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.076 -18.066 -0.854 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.535 -18.591 0.753 1.00 1.65 H new ATOM 123 N SER A 30 15.200 -17.150 -2.643 1.00 1.57 N ATOM 124 CA SER A 30 15.739 -16.782 -3.944 1.00 1.63 C ATOM 125 C SER A 30 15.642 -15.276 -4.162 1.00 1.47 C ATOM 126 O SER A 30 16.496 -14.673 -4.820 1.00 1.58 O ATOM 127 CB SER A 30 14.982 -17.528 -5.047 1.00 1.81 C ATOM 128 OG SER A 30 15.554 -17.291 -6.323 1.00 2.18 O ATOM 0 H SER A 30 14.267 -17.562 -2.678 1.00 1.57 H new ATOM 0 HA SER A 30 16.792 -17.063 -3.979 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.991 -18.597 -4.836 1.00 1.81 H new ATOM 0 HB3 SER A 30 13.939 -17.213 -5.051 1.00 1.81 H new ATOM 0 HG SER A 30 15.049 -17.782 -7.004 1.00 2.18 H new ATOM 134 N LYS A 31 14.598 -14.680 -3.610 1.00 1.28 N ATOM 135 CA LYS A 31 14.398 -13.241 -3.698 1.00 1.14 C ATOM 136 C LYS A 31 15.028 -12.555 -2.488 1.00 1.01 C ATOM 137 O LYS A 31 14.481 -12.608 -1.385 1.00 1.03 O ATOM 138 CB LYS A 31 12.904 -12.912 -3.776 1.00 1.14 C ATOM 139 CG LYS A 31 12.612 -11.459 -4.115 1.00 1.18 C ATOM 140 CD LYS A 31 11.824 -10.777 -3.007 1.00 1.26 C ATOM 141 CE LYS A 31 10.982 -9.629 -3.541 1.00 1.93 C ATOM 142 NZ LYS A 31 10.272 -9.975 -4.801 1.00 2.75 N ATOM 0 H LYS A 31 13.871 -15.174 -3.093 1.00 1.28 H new ATOM 0 HA LYS A 31 14.879 -12.874 -4.605 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.440 -13.551 -4.527 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.438 -13.153 -2.821 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.549 -10.927 -4.278 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.050 -11.407 -5.048 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.178 -11.506 -2.518 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.512 -10.402 -2.249 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.252 -9.337 -2.786 1.00 1.93 H new ATOM 0 HE3 LYS A 31 11.623 -8.765 -3.715 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 9.529 -9.271 -4.985 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 10.948 -9.979 -5.591 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 9.842 -10.917 -4.709 1.00 2.75 H new ATOM 156 N PRO A 32 16.193 -11.913 -2.676 1.00 0.99 N ATOM 157 CA PRO A 32 16.921 -11.262 -1.587 1.00 0.97 C ATOM 158 C PRO A 32 16.203 -10.033 -1.048 1.00 0.85 C ATOM 159 O PRO A 32 15.423 -9.382 -1.748 1.00 0.89 O ATOM 160 CB PRO A 32 18.262 -10.860 -2.221 1.00 1.14 C ATOM 161 CG PRO A 32 18.325 -11.600 -3.514 1.00 1.38 C ATOM 162 CD PRO A 32 16.904 -11.776 -3.953 1.00 1.13 C ATOM 0 HA PRO A 32 17.024 -11.928 -0.730 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.314 -9.783 -2.381 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.098 -11.126 -1.574 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.897 -11.043 -4.256 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.818 -12.564 -3.389 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.547 -10.920 -4.527 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.780 -12.657 -4.583 1.00 1.13 H new ATOM 170 N GLY A 33 16.484 -9.729 0.203 1.00 0.83 N ATOM 171 CA GLY A 33 15.909 -8.577 0.851 1.00 0.79 C ATOM 172 C GLY A 33 16.982 -7.775 1.539 1.00 0.76 C ATOM 173 O GLY A 33 17.708 -8.301 2.385 1.00 0.97 O ATOM 0 H GLY A 33 17.114 -10.273 0.793 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.396 -7.956 0.116 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.161 -8.895 1.577 1.00 0.79 H new ATOM 177 N ARG A 34 17.110 -6.515 1.168 1.00 0.81 N ATOM 178 CA ARG A 34 18.190 -5.688 1.677 1.00 0.79 C ATOM 179 C ARG A 34 17.655 -4.356 2.170 1.00 0.79 C ATOM 180 O ARG A 34 16.480 -4.042 1.990 1.00 0.97 O ATOM 181 CB ARG A 34 19.245 -5.464 0.590 1.00 0.82 C ATOM 182 CG ARG A 34 19.757 -6.753 -0.033 1.00 1.24 C ATOM 183 CD ARG A 34 21.189 -7.046 0.374 1.00 1.04 C ATOM 184 NE ARG A 34 22.150 -6.357 -0.482 1.00 0.98 N ATOM 185 CZ ARG A 34 23.290 -6.887 -0.915 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.626 -8.133 -0.586 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.097 -6.168 -1.682 1.00 1.56 N ATOM 0 H ARG A 34 16.482 -6.042 0.518 1.00 0.81 H new ATOM 0 HA ARG A 34 18.654 -6.206 2.516 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.821 -4.835 -0.193 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.086 -4.918 1.018 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.117 -7.582 0.269 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.695 -6.681 -1.119 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.342 -6.742 1.409 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.367 -8.120 0.328 1.00 1.04 H new ATOM 0 HE ARG A 34 21.932 -5.403 -0.768 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.007 -8.690 0.003 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.503 -8.531 -0.923 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.842 -5.214 -1.937 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.973 -6.569 -2.017 1.00 1.56 H new ATOM 201 N LYS A 35 18.516 -3.584 2.807 1.00 0.80 N ATOM 202 CA LYS A 35 18.133 -2.283 3.314 1.00 0.82 C ATOM 203 C LYS A 35 18.785 -1.188 2.489 1.00 0.77 C ATOM 204 O LYS A 35 19.981 -0.929 2.616 1.00 0.93 O ATOM 205 CB LYS A 35 18.524 -2.144 4.783 1.00 0.87 C ATOM 206 CG LYS A 35 17.330 -2.035 5.714 1.00 1.42 C ATOM 207 CD LYS A 35 17.597 -2.714 7.044 1.00 1.71 C ATOM 208 CE LYS A 35 17.469 -1.738 8.198 1.00 1.85 C ATOM 209 NZ LYS A 35 18.040 -2.287 9.456 1.00 2.64 N ATOM 0 H LYS A 35 19.488 -3.838 2.985 1.00 0.80 H new ATOM 0 HA LYS A 35 17.050 -2.185 3.236 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.126 -3.005 5.075 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.151 -1.261 4.903 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.093 -0.984 5.882 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.457 -2.487 5.242 1.00 1.42 H new ATOM 0 HD2 LYS A 35 16.896 -3.537 7.182 1.00 1.71 H new ATOM 0 HD3 LYS A 35 18.598 -3.146 7.040 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.977 -0.808 7.944 1.00 1.85 H new ATOM 0 HE3 LYS A 35 16.418 -1.495 8.353 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 17.932 -1.589 10.220 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 17.538 -3.161 9.713 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 19.049 -2.495 9.317 1.00 2.64 H new ATOM 223 N THR A 36 18.006 -0.571 1.621 1.00 0.59 N ATOM 224 CA THR A 36 18.506 0.506 0.795 1.00 0.54 C ATOM 225 C THR A 36 17.925 1.849 1.233 1.00 0.46 C ATOM 226 O THR A 36 17.005 1.901 2.057 1.00 0.46 O ATOM 227 CB THR A 36 18.178 0.266 -0.689 1.00 0.56 C ATOM 228 OG1 THR A 36 16.776 0.461 -0.915 1.00 0.54 O ATOM 229 CG2 THR A 36 18.569 -1.141 -1.118 1.00 0.68 C ATOM 0 H THR A 36 17.023 -0.799 1.471 1.00 0.59 H new ATOM 0 HA THR A 36 19.589 0.531 0.918 1.00 0.54 H new ATOM 0 HB THR A 36 18.751 0.979 -1.281 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.595 0.447 -1.878 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.325 -1.281 -2.171 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.640 -1.282 -0.972 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.022 -1.869 -0.519 1.00 0.68 H new ATOM 237 N ASN A 37 18.469 2.928 0.677 1.00 0.42 N ATOM 238 CA ASN A 37 18.028 4.279 1.001 1.00 0.40 C ATOM 239 C ASN A 37 16.574 4.483 0.602 1.00 0.33 C ATOM 240 O ASN A 37 15.769 4.934 1.408 1.00 0.33 O ATOM 241 CB ASN A 37 18.919 5.313 0.300 1.00 0.48 C ATOM 242 CG ASN A 37 18.595 6.748 0.683 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.311 7.054 1.841 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.654 7.646 -0.291 1.00 0.78 N ATOM 0 H ASN A 37 19.224 2.890 -0.007 1.00 0.42 H new ATOM 0 HA ASN A 37 18.111 4.415 2.079 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.962 5.107 0.542 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.814 5.200 -0.779 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.461 8.628 -0.092 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.893 7.355 -1.239 1.00 0.78 H new ATOM 251 N GLN A 38 16.236 4.125 -0.634 1.00 0.33 N ATOM 252 CA GLN A 38 14.873 4.291 -1.138 1.00 0.31 C ATOM 253 C GLN A 38 13.887 3.466 -0.315 1.00 0.26 C ATOM 254 O GLN A 38 12.765 3.906 -0.050 1.00 0.25 O ATOM 255 CB GLN A 38 14.800 3.873 -2.605 1.00 0.36 C ATOM 256 CG GLN A 38 13.672 4.526 -3.384 1.00 0.46 C ATOM 257 CD GLN A 38 13.687 4.140 -4.850 1.00 0.59 C ATOM 258 OE1 GLN A 38 12.882 3.323 -5.303 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.599 4.727 -5.603 1.00 0.55 N ATOM 0 H GLN A 38 16.886 3.718 -1.306 1.00 0.33 H new ATOM 0 HA GLN A 38 14.603 5.343 -1.051 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.747 4.115 -3.087 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.683 2.791 -2.657 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.717 4.239 -2.945 1.00 0.46 H new ATOM 0 HG3 GLN A 38 13.751 5.609 -3.295 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.247 5.398 -5.190 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.656 4.510 -6.598 1.00 0.55 H new ATOM 268 N LEU A 39 14.322 2.279 0.094 1.00 0.28 N ATOM 269 CA LEU A 39 13.493 1.382 0.886 1.00 0.31 C ATOM 270 C LEU A 39 13.110 2.026 2.213 1.00 0.29 C ATOM 271 O LEU A 39 11.926 2.207 2.513 1.00 0.30 O ATOM 272 CB LEU A 39 14.231 0.069 1.142 1.00 0.38 C ATOM 273 CG LEU A 39 13.513 -0.900 2.078 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.966 -2.076 1.295 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.447 -1.376 3.177 1.00 0.80 C ATOM 0 H LEU A 39 15.252 1.915 -0.113 1.00 0.28 H new ATOM 0 HA LEU A 39 12.582 1.178 0.324 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.399 -0.429 0.187 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.212 0.296 1.560 1.00 0.38 H new ATOM 0 HG LEU A 39 12.679 -0.376 2.546 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.456 -2.760 1.974 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.261 -1.717 0.545 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.786 -2.598 0.802 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.916 -2.066 3.833 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.302 -1.885 2.732 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.794 -0.520 3.755 1.00 0.80 H new ATOM 287 N GLN A 40 14.117 2.380 3.002 1.00 0.29 N ATOM 288 CA GLN A 40 13.885 2.975 4.311 1.00 0.30 C ATOM 289 C GLN A 40 13.262 4.360 4.172 1.00 0.26 C ATOM 290 O GLN A 40 12.509 4.805 5.046 1.00 0.28 O ATOM 291 CB GLN A 40 15.191 3.056 5.096 1.00 0.36 C ATOM 292 CG GLN A 40 15.614 1.726 5.702 1.00 0.42 C ATOM 293 CD GLN A 40 14.972 1.467 7.051 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.128 0.583 7.193 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.368 2.236 8.052 1.00 0.83 N ATOM 0 H GLN A 40 15.101 2.265 2.758 1.00 0.29 H new ATOM 0 HA GLN A 40 13.188 2.340 4.857 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.981 3.414 4.436 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.083 3.792 5.893 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.350 0.919 5.018 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.698 1.710 5.811 1.00 0.42 H new ATOM 0 HE21 GLN A 40 16.070 2.958 7.893 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.971 2.107 8.983 1.00 0.83 H new ATOM 304 N TYR A 41 13.579 5.029 3.067 1.00 0.25 N ATOM 305 CA TYR A 41 13.019 6.329 2.761 1.00 0.24 C ATOM 306 C TYR A 41 11.507 6.252 2.640 1.00 0.22 C ATOM 307 O TYR A 41 10.796 6.832 3.444 1.00 0.23 O ATOM 308 CB TYR A 41 13.615 6.866 1.458 1.00 0.24 C ATOM 309 CG TYR A 41 13.264 8.302 1.183 1.00 0.31 C ATOM 310 CD1 TYR A 41 12.095 8.630 0.517 1.00 0.32 C ATOM 311 CD2 TYR A 41 14.106 9.326 1.583 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.777 9.944 0.250 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.798 10.643 1.326 1.00 0.52 C ATOM 314 CZ TYR A 41 12.601 10.951 0.694 1.00 0.53 C ATOM 315 OH TYR A 41 12.314 12.262 0.388 1.00 0.64 O ATOM 0 H TYR A 41 14.231 4.681 2.364 1.00 0.25 H new ATOM 0 HA TYR A 41 13.268 7.007 3.578 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.700 6.767 1.496 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.268 6.250 0.628 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.423 7.845 0.202 1.00 0.32 H new ATOM 0 HD2 TYR A 41 15.020 9.087 2.106 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.883 10.182 -0.307 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.481 11.429 1.613 1.00 0.52 H new ATOM 0 HH TYR A 41 12.563 12.443 -0.542 1.00 0.64 H new ATOM 325 N MET A 42 11.018 5.499 1.662 1.00 0.20 N ATOM 326 CA MET A 42 9.593 5.471 1.366 1.00 0.20 C ATOM 327 C MET A 42 8.811 4.966 2.572 1.00 0.21 C ATOM 328 O MET A 42 7.661 5.345 2.781 1.00 0.22 O ATOM 329 CB MET A 42 9.331 4.583 0.144 1.00 0.23 C ATOM 330 CG MET A 42 7.871 4.519 -0.280 1.00 0.80 C ATOM 331 SD MET A 42 7.483 3.023 -1.210 1.00 1.07 S ATOM 332 CE MET A 42 7.110 1.885 0.120 1.00 1.13 C ATOM 0 H MET A 42 11.587 4.901 1.062 1.00 0.20 H new ATOM 0 HA MET A 42 9.258 6.484 1.141 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.925 4.951 -0.693 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.679 3.573 0.362 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.237 4.566 0.605 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.635 5.392 -0.888 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.941 1.191 0.249 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.956 2.443 1.044 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.206 1.327 -0.122 1.00 1.13 H new ATOM 342 N GLN A 43 9.465 4.131 3.369 1.00 0.24 N ATOM 343 CA GLN A 43 8.886 3.603 4.596 1.00 0.30 C ATOM 344 C GLN A 43 8.557 4.726 5.583 1.00 0.30 C ATOM 345 O GLN A 43 7.408 4.904 5.985 1.00 0.33 O ATOM 346 CB GLN A 43 9.872 2.617 5.226 1.00 0.42 C ATOM 347 CG GLN A 43 9.398 1.994 6.527 1.00 0.84 C ATOM 348 CD GLN A 43 10.514 1.262 7.245 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.806 1.536 8.409 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.152 0.331 6.553 1.00 0.54 N ATOM 0 H GLN A 43 10.412 3.801 3.182 1.00 0.24 H new ATOM 0 HA GLN A 43 7.953 3.093 4.355 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.077 1.821 4.510 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.815 3.132 5.408 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.998 2.772 7.177 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.583 1.300 6.321 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.879 0.134 5.590 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.917 -0.190 6.983 1.00 0.54 H new ATOM 359 N ASN A 44 9.568 5.494 5.958 1.00 0.30 N ATOM 360 CA ASN A 44 9.397 6.527 6.973 1.00 0.33 C ATOM 361 C ASN A 44 8.902 7.831 6.372 1.00 0.31 C ATOM 362 O ASN A 44 8.274 8.642 7.054 1.00 0.34 O ATOM 363 CB ASN A 44 10.709 6.769 7.718 1.00 0.37 C ATOM 364 CG ASN A 44 11.089 5.613 8.623 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.686 5.562 9.788 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.873 4.683 8.096 1.00 0.47 N ATOM 0 H ASN A 44 10.512 5.424 5.578 1.00 0.30 H new ATOM 0 HA ASN A 44 8.643 6.169 7.674 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.507 6.937 6.995 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.622 7.678 8.313 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.167 3.885 8.659 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.182 4.766 7.128 1.00 0.47 H new ATOM 373 N VAL A 45 9.207 8.044 5.110 1.00 0.27 N ATOM 374 CA VAL A 45 8.853 9.281 4.446 1.00 0.27 C ATOM 375 C VAL A 45 7.473 9.219 3.800 1.00 0.24 C ATOM 376 O VAL A 45 6.593 10.012 4.123 1.00 0.28 O ATOM 377 CB VAL A 45 9.890 9.640 3.372 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.478 10.892 2.628 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.267 9.801 3.992 1.00 0.30 C ATOM 0 H VAL A 45 9.701 7.374 4.521 1.00 0.27 H new ATOM 0 HA VAL A 45 8.836 10.050 5.219 1.00 0.27 H new ATOM 0 HB VAL A 45 9.938 8.823 2.652 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.226 11.129 1.872 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.514 10.728 2.146 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.396 11.722 3.330 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.988 10.055 3.215 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.240 10.597 4.737 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.562 8.867 4.470 1.00 0.30 H new ATOM 389 N VAL A 46 7.280 8.263 2.901 1.00 0.19 N ATOM 390 CA VAL A 46 6.078 8.240 2.076 1.00 0.19 C ATOM 391 C VAL A 46 4.892 7.620 2.810 1.00 0.19 C ATOM 392 O VAL A 46 3.928 8.321 3.128 1.00 0.19 O ATOM 393 CB VAL A 46 6.312 7.491 0.746 1.00 0.20 C ATOM 394 CG1 VAL A 46 5.041 7.469 -0.094 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.450 8.132 -0.030 1.00 0.22 C ATOM 0 H VAL A 46 7.933 7.500 2.725 1.00 0.19 H new ATOM 0 HA VAL A 46 5.842 9.281 1.856 1.00 0.19 H new ATOM 0 HB VAL A 46 6.585 6.461 0.978 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.230 6.936 -1.026 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.249 6.964 0.458 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.734 8.491 -0.316 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.602 7.592 -0.965 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.202 9.171 -0.247 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.363 8.093 0.564 1.00 0.22 H new ATOM 405 N VAL A 47 4.967 6.322 3.104 1.00 0.20 N ATOM 406 CA VAL A 47 3.817 5.624 3.690 1.00 0.23 C ATOM 407 C VAL A 47 3.512 6.140 5.097 1.00 0.23 C ATOM 408 O VAL A 47 2.349 6.227 5.486 1.00 0.25 O ATOM 409 CB VAL A 47 3.986 4.075 3.697 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.407 3.672 4.023 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.005 3.405 4.656 1.00 0.83 C ATOM 0 H VAL A 47 5.791 5.741 2.951 1.00 0.20 H new ATOM 0 HA VAL A 47 2.967 5.846 3.045 1.00 0.23 H new ATOM 0 HB VAL A 47 3.760 3.728 2.689 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.487 2.585 4.019 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.084 4.088 3.277 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.676 4.052 5.009 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.154 2.325 4.633 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.176 3.773 5.668 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.984 3.637 4.353 1.00 0.83 H new ATOM 421 N LYS A 48 4.547 6.515 5.843 1.00 0.26 N ATOM 422 CA LYS A 48 4.351 7.051 7.184 1.00 0.30 C ATOM 423 C LYS A 48 3.485 8.313 7.161 1.00 0.28 C ATOM 424 O LYS A 48 2.652 8.511 8.043 1.00 0.33 O ATOM 425 CB LYS A 48 5.692 7.354 7.845 1.00 0.36 C ATOM 426 CG LYS A 48 5.674 7.178 9.354 1.00 0.53 C ATOM 427 CD LYS A 48 6.346 8.344 10.061 1.00 1.25 C ATOM 428 CE LYS A 48 7.839 8.106 10.245 1.00 1.79 C ATOM 429 NZ LYS A 48 8.642 9.311 9.904 1.00 2.40 N ATOM 0 H LYS A 48 5.521 6.458 5.545 1.00 0.26 H new ATOM 0 HA LYS A 48 3.831 6.290 7.767 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.454 6.701 7.420 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.982 8.378 7.609 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.644 7.088 9.698 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.181 6.250 9.619 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.191 9.257 9.486 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.879 8.498 11.034 1.00 1.25 H new ATOM 0 HE2 LYS A 48 8.036 7.820 11.278 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.153 7.272 9.618 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 9.597 9.217 10.305 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 8.708 9.403 8.870 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 8.183 10.157 10.298 1.00 2.40 H new ATOM 443 N THR A 49 3.668 9.156 6.149 1.00 0.23 N ATOM 444 CA THR A 49 2.881 10.381 6.043 1.00 0.24 C ATOM 445 C THR A 49 1.456 10.070 5.590 1.00 0.22 C ATOM 446 O THR A 49 0.503 10.709 6.039 1.00 0.24 O ATOM 447 CB THR A 49 3.516 11.408 5.082 1.00 0.28 C ATOM 448 OG1 THR A 49 4.921 11.532 5.344 1.00 0.55 O ATOM 449 CG2 THR A 49 2.857 12.772 5.236 1.00 0.52 C ATOM 0 H THR A 49 4.345 9.017 5.399 1.00 0.23 H new ATOM 0 HA THR A 49 2.860 10.825 7.038 1.00 0.24 H new ATOM 0 HB THR A 49 3.364 11.052 4.063 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.421 10.963 4.723 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.321 13.480 4.549 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.794 12.690 5.010 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.984 13.124 6.260 1.00 0.52 H new ATOM 457 N LEU A 50 1.314 9.077 4.715 1.00 0.20 N ATOM 458 CA LEU A 50 -0.003 8.643 4.263 1.00 0.21 C ATOM 459 C LEU A 50 -0.758 8.004 5.426 1.00 0.20 C ATOM 460 O LEU A 50 -1.977 8.123 5.538 1.00 0.21 O ATOM 461 CB LEU A 50 0.123 7.647 3.096 1.00 0.24 C ATOM 462 CG LEU A 50 -0.814 7.884 1.894 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.481 6.584 1.472 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.868 8.934 2.218 1.00 0.29 C ATOM 0 H LEU A 50 2.093 8.560 4.307 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.558 9.512 3.908 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.152 7.668 2.737 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.060 6.644 3.481 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.208 8.253 1.067 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -2.138 6.771 0.623 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.718 5.859 1.188 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -2.065 6.189 2.303 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.514 9.080 1.352 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.467 8.599 3.065 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.379 9.875 2.469 1.00 0.29 H new ATOM 476 N TRP A 51 -0.010 7.336 6.293 1.00 0.22 N ATOM 477 CA TRP A 51 -0.568 6.721 7.486 1.00 0.24 C ATOM 478 C TRP A 51 -1.114 7.780 8.439 1.00 0.26 C ATOM 479 O TRP A 51 -2.087 7.547 9.151 1.00 0.29 O ATOM 480 CB TRP A 51 0.501 5.885 8.198 1.00 0.27 C ATOM 481 CG TRP A 51 -0.069 4.889 9.158 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.464 5.128 10.440 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.300 3.497 8.916 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.938 3.977 11.009 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.850 2.957 10.094 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.100 2.657 7.815 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.201 1.612 10.200 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.448 1.327 7.921 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.996 0.815 9.106 1.00 0.39 C ATOM 0 H TRP A 51 0.996 7.206 6.189 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.389 6.072 7.181 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.098 5.360 7.452 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.176 6.552 8.735 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.411 6.086 10.935 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.298 3.891 11.959 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.320 3.044 6.898 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.620 1.213 11.112 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.296 0.669 7.078 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.262 -0.231 9.157 1.00 0.39 H new ATOM 500 N LYS A 52 -0.497 8.955 8.432 1.00 0.27 N ATOM 501 CA LYS A 52 -0.885 10.025 9.344 1.00 0.29 C ATOM 502 C LYS A 52 -2.069 10.825 8.803 1.00 0.30 C ATOM 503 O LYS A 52 -2.362 11.926 9.281 1.00 0.45 O ATOM 504 CB LYS A 52 0.299 10.946 9.614 1.00 0.33 C ATOM 505 CG LYS A 52 1.433 10.255 10.351 1.00 0.48 C ATOM 506 CD LYS A 52 2.222 11.235 11.206 1.00 1.13 C ATOM 507 CE LYS A 52 1.552 11.470 12.549 1.00 1.74 C ATOM 508 NZ LYS A 52 1.994 10.487 13.569 1.00 2.24 N ATOM 0 H LYS A 52 0.273 9.192 7.806 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.198 9.565 10.281 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.673 11.335 8.667 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.039 11.801 10.199 1.00 0.33 H new ATOM 0 HG2 LYS A 52 1.029 9.463 10.982 1.00 0.48 H new ATOM 0 HG3 LYS A 52 2.100 9.780 9.631 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.230 10.852 11.364 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.321 12.183 10.677 1.00 1.13 H new ATOM 0 HE2 LYS A 52 1.778 12.479 12.895 1.00 1.74 H new ATOM 0 HE3 LYS A 52 0.470 11.408 12.430 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 1.514 10.682 14.470 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 1.756 9.526 13.251 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 3.023 10.563 13.701 1.00 2.24 H new ATOM 522 N HIS A 53 -2.738 10.272 7.803 1.00 0.25 N ATOM 523 CA HIS A 53 -3.962 10.858 7.277 1.00 0.26 C ATOM 524 C HIS A 53 -5.159 10.136 7.880 1.00 0.31 C ATOM 525 O HIS A 53 -5.238 8.910 7.829 1.00 0.35 O ATOM 526 CB HIS A 53 -3.999 10.743 5.756 1.00 0.24 C ATOM 527 CG HIS A 53 -4.769 11.837 5.083 1.00 0.27 C ATOM 528 ND1 HIS A 53 -6.029 11.623 4.581 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.401 13.114 4.822 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.395 12.763 4.022 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.442 13.698 4.144 1.00 0.39 N ATOM 0 H HIS A 53 -2.451 9.412 7.336 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.996 11.915 7.543 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.977 10.745 5.376 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.438 9.783 5.485 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.467 13.583 5.095 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.343 12.922 3.529 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.483 14.657 3.800 1.00 0.39 H new ATOM 539 N GLN A 54 -6.097 10.886 8.437 1.00 0.42 N ATOM 540 CA GLN A 54 -7.210 10.276 9.151 1.00 0.54 C ATOM 541 C GLN A 54 -8.345 9.898 8.211 1.00 0.42 C ATOM 542 O GLN A 54 -9.435 9.544 8.657 1.00 0.47 O ATOM 543 CB GLN A 54 -7.718 11.195 10.262 1.00 0.79 C ATOM 544 CG GLN A 54 -7.551 10.609 11.662 1.00 1.09 C ATOM 545 CD GLN A 54 -6.962 9.210 11.653 1.00 1.24 C ATOM 546 OE1 GLN A 54 -7.684 8.220 11.775 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.647 9.117 11.524 1.00 1.21 N ATOM 0 H GLN A 54 -6.112 11.906 8.410 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.836 9.358 9.605 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.186 12.145 10.209 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.773 11.410 10.090 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.908 11.264 12.250 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.521 10.586 12.158 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.083 9.961 11.425 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -5.198 8.201 11.523 1.00 1.21 H new ATOM 556 N PHE A 55 -8.091 9.981 6.915 1.00 0.36 N ATOM 557 CA PHE A 55 -9.022 9.460 5.928 1.00 0.31 C ATOM 558 C PHE A 55 -8.496 8.138 5.391 1.00 0.27 C ATOM 559 O PHE A 55 -9.179 7.431 4.656 1.00 0.29 O ATOM 560 CB PHE A 55 -9.233 10.461 4.790 1.00 0.36 C ATOM 561 CG PHE A 55 -10.294 11.483 5.084 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.528 11.095 5.578 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.058 12.832 4.867 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.505 12.030 5.850 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.033 13.773 5.138 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.256 13.375 5.625 1.00 0.86 C ATOM 0 H PHE A 55 -7.249 10.403 6.523 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.989 9.297 6.404 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.292 10.973 4.587 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.503 9.918 3.884 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -11.728 10.048 5.752 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -9.101 13.151 4.482 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -13.462 11.715 6.238 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -10.835 14.821 4.967 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.021 14.109 5.832 1.00 0.86 H new ATOM 576 N ALA A 56 -7.277 7.804 5.794 1.00 0.25 N ATOM 577 CA ALA A 56 -6.651 6.551 5.403 1.00 0.25 C ATOM 578 C ALA A 56 -6.885 5.494 6.471 1.00 0.26 C ATOM 579 O ALA A 56 -6.245 4.441 6.477 1.00 0.28 O ATOM 580 CB ALA A 56 -5.162 6.758 5.179 1.00 0.28 C ATOM 0 H ALA A 56 -6.699 8.390 6.397 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.099 6.208 4.470 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.703 5.813 4.887 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -5.012 7.494 4.389 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.702 7.115 6.100 1.00 0.28 H new ATOM 586 N TRP A 57 -7.830 5.779 7.358 1.00 0.30 N ATOM 587 CA TRP A 57 -8.108 4.909 8.497 1.00 0.34 C ATOM 588 C TRP A 57 -8.694 3.538 8.095 1.00 0.35 C ATOM 589 O TRP A 57 -8.375 2.544 8.746 1.00 0.40 O ATOM 590 CB TRP A 57 -8.996 5.615 9.540 1.00 0.37 C ATOM 591 CG TRP A 57 -10.411 5.872 9.111 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.864 6.926 8.375 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.562 5.070 9.413 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.223 6.833 8.201 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.675 5.699 8.826 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.757 3.878 10.121 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.964 5.178 8.925 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.036 3.363 10.218 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.124 4.012 9.622 1.00 0.58 C ATOM 0 H TRP A 57 -8.420 6.610 7.311 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.142 4.699 8.956 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.013 5.010 10.447 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.534 6.567 9.801 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.244 7.720 7.985 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.802 7.499 7.690 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.923 3.370 10.583 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.806 5.677 8.468 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.199 2.445 10.763 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.111 3.583 9.715 1.00 0.58 H new ATOM 610 N PRO A 58 -9.532 3.416 7.026 1.00 0.34 N ATOM 611 CA PRO A 58 -10.046 2.107 6.606 1.00 0.40 C ATOM 612 C PRO A 58 -8.968 1.278 5.917 1.00 0.36 C ATOM 613 O PRO A 58 -9.199 0.129 5.539 1.00 0.45 O ATOM 614 CB PRO A 58 -11.177 2.444 5.620 1.00 0.47 C ATOM 615 CG PRO A 58 -11.375 3.919 5.710 1.00 0.40 C ATOM 616 CD PRO A 58 -10.063 4.486 6.162 1.00 0.32 C ATOM 0 HA PRO A 58 -10.384 1.511 7.454 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.911 2.147 4.605 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.092 1.911 5.879 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.667 4.333 4.745 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.169 4.164 6.415 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.401 4.695 5.322 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.192 5.421 6.707 1.00 0.32 H new ATOM 624 N PHE A 59 -7.791 1.874 5.761 1.00 0.31 N ATOM 625 CA PHE A 59 -6.658 1.208 5.135 1.00 0.31 C ATOM 626 C PHE A 59 -5.626 0.808 6.187 1.00 0.31 C ATOM 627 O PHE A 59 -4.585 0.238 5.865 1.00 0.52 O ATOM 628 CB PHE A 59 -6.010 2.131 4.098 1.00 0.36 C ATOM 629 CG PHE A 59 -6.578 2.003 2.711 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.874 0.758 2.177 1.00 0.92 C ATOM 631 CD2 PHE A 59 -6.809 3.130 1.939 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.389 0.642 0.900 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.324 3.019 0.661 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.612 1.773 0.142 1.00 0.95 C ATOM 0 H PHE A 59 -7.597 2.828 6.064 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.019 0.308 4.637 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.121 3.164 4.429 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.941 1.921 4.060 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.700 -0.131 2.766 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -6.584 4.107 2.341 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -7.617 -0.333 0.496 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.501 3.905 0.070 1.00 0.87 H new ATOM 0 HZ PHE A 59 -8.012 1.683 -0.857 1.00 0.95 H new ATOM 644 N TYR A 60 -5.924 1.119 7.447 1.00 0.35 N ATOM 645 CA TYR A 60 -5.014 0.822 8.550 1.00 0.39 C ATOM 646 C TYR A 60 -4.873 -0.679 8.747 1.00 0.45 C ATOM 647 O TYR A 60 -3.784 -1.191 9.008 1.00 0.63 O ATOM 648 CB TYR A 60 -5.527 1.449 9.847 1.00 0.46 C ATOM 649 CG TYR A 60 -5.149 2.902 10.037 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.414 3.599 9.082 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.534 3.576 11.187 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.077 4.926 9.274 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.200 4.899 11.385 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.474 5.569 10.427 1.00 0.45 C ATOM 655 OH TYR A 60 -4.141 6.888 10.626 1.00 0.58 O ATOM 0 H TYR A 60 -6.790 1.577 7.729 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.040 1.243 8.300 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.613 1.364 9.871 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.143 0.874 10.690 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.103 3.096 8.178 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.106 3.055 11.941 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.506 5.456 8.525 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.507 5.407 12.287 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.541 7.185 9.911 1.00 0.58 H new ATOM 665 N GLN A 61 -5.989 -1.375 8.626 1.00 0.46 N ATOM 666 CA GLN A 61 -6.023 -2.808 8.859 1.00 0.55 C ATOM 667 C GLN A 61 -5.980 -3.555 7.537 1.00 0.56 C ATOM 668 O GLN A 61 -6.767 -3.263 6.635 1.00 0.57 O ATOM 669 CB GLN A 61 -7.282 -3.195 9.643 1.00 0.65 C ATOM 670 CG GLN A 61 -8.102 -2.003 10.116 1.00 0.71 C ATOM 671 CD GLN A 61 -9.267 -1.682 9.194 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.310 -1.210 9.639 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.103 -1.940 7.906 1.00 1.63 N ATOM 0 H GLN A 61 -6.888 -0.969 8.366 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.149 -3.084 9.449 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.909 -3.829 9.016 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.991 -3.790 10.508 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.483 -2.205 11.117 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.454 -1.130 10.192 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.222 -2.332 7.573 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -9.857 -1.747 7.247 1.00 1.63 H new ATOM 682 N PRO A 62 -5.069 -4.531 7.418 1.00 0.63 N ATOM 683 CA PRO A 62 -4.860 -5.280 6.175 1.00 0.68 C ATOM 684 C PRO A 62 -6.102 -6.028 5.700 1.00 0.69 C ATOM 685 O PRO A 62 -6.911 -6.510 6.504 1.00 0.77 O ATOM 686 CB PRO A 62 -3.746 -6.275 6.527 1.00 0.78 C ATOM 687 CG PRO A 62 -3.708 -6.326 8.014 1.00 0.87 C ATOM 688 CD PRO A 62 -4.159 -4.976 8.487 1.00 0.73 C ATOM 0 HA PRO A 62 -4.613 -4.607 5.354 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.953 -7.259 6.106 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.788 -5.950 6.122 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.362 -7.111 8.394 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.702 -6.548 8.371 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.667 -5.036 9.449 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.320 -4.292 8.612 1.00 0.73 H new ATOM 696 N VAL A 63 -6.233 -6.131 4.387 1.00 0.66 N ATOM 697 CA VAL A 63 -7.328 -6.852 3.773 1.00 0.69 C ATOM 698 C VAL A 63 -6.935 -8.313 3.658 1.00 0.77 C ATOM 699 O VAL A 63 -6.175 -8.718 2.777 1.00 0.88 O ATOM 700 CB VAL A 63 -7.713 -6.256 2.394 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.339 -7.300 1.484 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.677 -5.096 2.578 1.00 0.75 C ATOM 0 H VAL A 63 -5.582 -5.716 3.720 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.216 -6.759 4.399 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.797 -5.903 1.921 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.595 -6.843 0.528 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.630 -8.112 1.320 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.242 -7.695 1.950 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.941 -4.684 1.604 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.578 -5.448 3.080 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.204 -4.322 3.183 1.00 0.75 H new ATOM 712 N ASP A 64 -7.415 -9.089 4.603 1.00 0.79 N ATOM 713 CA ASP A 64 -7.038 -10.478 4.707 1.00 0.93 C ATOM 714 C ASP A 64 -8.205 -11.388 4.335 1.00 1.00 C ATOM 715 O ASP A 64 -8.171 -12.595 4.575 1.00 1.51 O ATOM 716 CB ASP A 64 -6.533 -10.734 6.127 1.00 1.02 C ATOM 717 CG ASP A 64 -7.617 -11.179 7.086 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.755 -10.681 6.978 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.339 -12.056 7.928 1.00 1.42 O ATOM 0 H ASP A 64 -8.074 -8.777 5.316 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.238 -10.706 4.002 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -5.754 -11.495 6.095 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -6.073 -9.823 6.510 1.00 1.02 H new ATOM 724 N ALA A 65 -9.234 -10.767 3.754 1.00 0.94 N ATOM 725 CA ALA A 65 -10.434 -11.453 3.258 1.00 0.94 C ATOM 726 C ALA A 65 -11.402 -11.827 4.382 1.00 1.03 C ATOM 727 O ALA A 65 -12.579 -12.078 4.129 1.00 1.29 O ATOM 728 CB ALA A 65 -10.077 -12.683 2.430 1.00 0.96 C ATOM 0 H ALA A 65 -9.259 -9.757 3.612 1.00 0.94 H new ATOM 0 HA ALA A 65 -10.945 -10.740 2.611 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -10.991 -13.164 2.080 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -9.474 -12.382 1.573 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -9.510 -13.383 3.044 1.00 0.96 H new ATOM 734 N ILE A 66 -10.927 -11.835 5.615 1.00 1.03 N ATOM 735 CA ILE A 66 -11.764 -12.224 6.744 1.00 1.14 C ATOM 736 C ILE A 66 -12.097 -11.015 7.612 1.00 1.13 C ATOM 737 O ILE A 66 -13.260 -10.771 7.934 1.00 1.19 O ATOM 738 CB ILE A 66 -11.078 -13.311 7.603 1.00 1.24 C ATOM 739 CG1 ILE A 66 -10.952 -14.612 6.806 1.00 1.35 C ATOM 740 CG2 ILE A 66 -11.851 -13.557 8.891 1.00 1.37 C ATOM 741 CD1 ILE A 66 -9.550 -15.176 6.776 1.00 1.89 C ATOM 0 H ILE A 66 -9.971 -11.578 5.863 1.00 1.03 H new ATOM 0 HA ILE A 66 -12.688 -12.636 6.339 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.081 -12.957 7.867 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.624 -15.356 7.234 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.284 -14.434 5.783 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -11.347 -14.326 9.477 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -11.899 -12.634 9.469 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -12.862 -13.888 8.651 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -9.541 -16.097 6.193 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -8.876 -14.451 6.320 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -9.221 -15.387 7.793 1.00 1.89 H new ATOM 753 N LYS A 67 -11.072 -10.250 7.959 1.00 1.10 N ATOM 754 CA LYS A 67 -11.221 -9.061 8.789 1.00 1.15 C ATOM 755 C LYS A 67 -12.205 -8.079 8.163 1.00 1.13 C ATOM 756 O LYS A 67 -13.055 -7.508 8.846 1.00 1.27 O ATOM 757 CB LYS A 67 -9.857 -8.394 8.969 1.00 1.21 C ATOM 758 CG LYS A 67 -9.825 -7.321 10.043 1.00 1.50 C ATOM 759 CD LYS A 67 -8.628 -6.397 9.867 1.00 1.90 C ATOM 760 CE LYS A 67 -7.313 -7.162 9.915 1.00 2.46 C ATOM 761 NZ LYS A 67 -7.063 -7.760 11.254 1.00 2.99 N ATOM 0 H LYS A 67 -10.111 -10.436 7.673 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.614 -9.359 9.761 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.120 -9.159 9.214 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.554 -7.952 8.020 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -10.745 -6.738 10.005 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.784 -7.789 11.027 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -8.710 -5.873 8.914 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -8.636 -5.638 10.649 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -7.325 -7.951 9.163 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -6.494 -6.490 9.660 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -6.114 -8.184 11.273 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -7.126 -7.020 11.982 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.774 -8.495 11.444 1.00 2.99 H new ATOM 775 N LEU A 68 -12.085 -7.888 6.856 1.00 1.02 N ATOM 776 CA LEU A 68 -12.982 -6.988 6.140 1.00 1.03 C ATOM 777 C LEU A 68 -14.148 -7.753 5.521 1.00 1.05 C ATOM 778 O LEU A 68 -15.007 -7.158 4.871 1.00 1.10 O ATOM 779 CB LEU A 68 -12.222 -6.234 5.045 1.00 1.02 C ATOM 780 CG LEU A 68 -12.370 -4.702 5.060 1.00 1.07 C ATOM 781 CD1 LEU A 68 -13.808 -4.286 5.336 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.432 -4.086 6.087 1.00 1.66 C ATOM 0 H LEU A 68 -11.381 -8.340 6.273 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.379 -6.272 6.860 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.163 -6.479 5.130 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.558 -6.603 4.076 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.099 -4.332 4.071 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -13.878 -3.198 5.340 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -14.459 -4.689 4.560 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -14.119 -4.673 6.306 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.550 -3.002 6.084 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -11.671 -4.474 7.077 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.402 -4.339 5.837 1.00 1.66 H new ATOM 794 N ASN A 69 -14.177 -9.068 5.739 1.00 1.06 N ATOM 795 CA ASN A 69 -15.166 -9.939 5.100 1.00 1.12 C ATOM 796 C ASN A 69 -15.128 -9.715 3.591 1.00 1.09 C ATOM 797 O ASN A 69 -16.115 -9.312 2.975 1.00 1.15 O ATOM 798 CB ASN A 69 -16.572 -9.671 5.658 1.00 1.24 C ATOM 799 CG ASN A 69 -17.581 -10.746 5.283 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.369 -10.580 4.350 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.580 -11.848 6.018 1.00 1.55 N ATOM 0 H ASN A 69 -13.526 -9.555 6.355 1.00 1.06 H new ATOM 0 HA ASN A 69 -14.922 -10.979 5.315 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.517 -9.597 6.744 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.924 -8.707 5.290 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.246 -12.594 5.819 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -16.913 -11.950 6.783 1.00 1.55 H new ATOM 808 N LEU A 70 -13.968 -9.977 3.004 1.00 1.04 N ATOM 809 CA LEU A 70 -13.711 -9.614 1.616 1.00 1.01 C ATOM 810 C LEU A 70 -13.186 -10.802 0.810 1.00 0.99 C ATOM 811 O LEU A 70 -12.042 -10.788 0.360 1.00 0.95 O ATOM 812 CB LEU A 70 -12.686 -8.471 1.569 1.00 1.01 C ATOM 813 CG LEU A 70 -13.184 -7.141 1.002 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.597 -6.836 1.472 1.00 1.61 C ATOM 815 CD2 LEU A 70 -12.237 -6.023 1.404 1.00 1.54 C ATOM 0 H LEU A 70 -13.188 -10.441 3.469 1.00 1.04 H new ATOM 0 HA LEU A 70 -14.653 -9.295 1.171 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.320 -8.297 2.581 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -11.834 -8.799 0.974 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.206 -7.218 -0.085 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.923 -5.884 1.052 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.269 -7.628 1.141 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -14.614 -6.777 2.560 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.597 -5.078 0.997 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -12.193 -5.957 2.491 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.241 -6.231 1.012 1.00 1.54 H new ATOM 827 N PRO A 71 -14.008 -11.846 0.607 1.00 1.06 N ATOM 828 CA PRO A 71 -13.612 -13.007 -0.195 1.00 1.11 C ATOM 829 C PRO A 71 -13.684 -12.714 -1.693 1.00 1.05 C ATOM 830 O PRO A 71 -12.955 -13.304 -2.490 1.00 1.09 O ATOM 831 CB PRO A 71 -14.644 -14.062 0.195 1.00 1.28 C ATOM 832 CG PRO A 71 -15.859 -13.288 0.563 1.00 1.30 C ATOM 833 CD PRO A 71 -15.375 -11.989 1.148 1.00 1.18 C ATOM 0 HA PRO A 71 -12.582 -13.311 -0.011 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -14.845 -14.744 -0.632 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -14.293 -14.668 1.030 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -16.486 -13.111 -0.311 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -16.465 -13.837 1.284 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.012 -11.155 0.852 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -15.373 -12.017 2.238 1.00 1.18 H new ATOM 841 N ASP A 72 -14.571 -11.792 -2.056 1.00 1.04 N ATOM 842 CA ASP A 72 -14.775 -11.395 -3.451 1.00 1.07 C ATOM 843 C ASP A 72 -13.650 -10.474 -3.913 1.00 0.94 C ATOM 844 O ASP A 72 -13.349 -10.377 -5.105 1.00 0.95 O ATOM 845 CB ASP A 72 -16.126 -10.690 -3.584 1.00 1.24 C ATOM 846 CG ASP A 72 -16.484 -10.338 -5.014 1.00 1.49 C ATOM 847 OD1 ASP A 72 -16.249 -11.183 -5.906 1.00 1.93 O ATOM 848 OD2 ASP A 72 -16.970 -9.213 -5.259 1.00 1.97 O ATOM 0 H ASP A 72 -15.169 -11.298 -1.394 1.00 1.04 H new ATOM 0 HA ASP A 72 -14.768 -12.284 -4.081 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -16.904 -11.331 -3.170 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -16.112 -9.779 -2.986 1.00 1.24 H new ATOM 853 N TYR A 73 -13.022 -9.813 -2.949 1.00 0.87 N ATOM 854 CA TYR A 73 -11.901 -8.922 -3.217 1.00 0.79 C ATOM 855 C TYR A 73 -10.767 -9.681 -3.885 1.00 0.74 C ATOM 856 O TYR A 73 -10.177 -9.218 -4.859 1.00 0.73 O ATOM 857 CB TYR A 73 -11.396 -8.320 -1.908 1.00 0.78 C ATOM 858 CG TYR A 73 -11.189 -6.826 -1.948 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.221 -5.970 -2.305 1.00 0.88 C ATOM 860 CD2 TYR A 73 -9.963 -6.273 -1.606 1.00 0.80 C ATOM 861 CE1 TYR A 73 -12.035 -4.603 -2.324 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.770 -4.907 -1.618 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.809 -4.077 -1.977 1.00 0.94 C ATOM 864 OH TYR A 73 -10.628 -2.715 -1.984 1.00 1.13 O ATOM 0 H TYR A 73 -13.274 -9.879 -1.963 1.00 0.87 H new ATOM 0 HA TYR A 73 -12.241 -8.129 -3.883 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.107 -8.555 -1.116 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -10.453 -8.798 -1.642 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.184 -6.380 -2.572 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.147 -6.922 -1.326 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.846 -3.949 -2.609 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.811 -4.491 -1.348 1.00 0.90 H new ATOM 0 HH TYR A 73 -11.477 -2.271 -1.778 1.00 1.13 H new ATOM 874 N HIS A 74 -10.498 -10.869 -3.364 1.00 0.79 N ATOM 875 CA HIS A 74 -9.381 -11.684 -3.817 1.00 0.80 C ATOM 876 C HIS A 74 -9.705 -12.380 -5.138 1.00 0.85 C ATOM 877 O HIS A 74 -8.925 -13.202 -5.625 1.00 0.91 O ATOM 878 CB HIS A 74 -9.024 -12.729 -2.748 1.00 0.89 C ATOM 879 CG HIS A 74 -8.476 -12.149 -1.473 1.00 0.79 C ATOM 880 ND1 HIS A 74 -8.872 -10.916 -1.011 1.00 0.91 N ATOM 881 CD2 HIS A 74 -7.575 -12.673 -0.605 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.210 -10.719 0.115 1.00 0.78 C ATOM 883 NE2 HIS A 74 -7.410 -11.755 0.401 1.00 0.82 N ATOM 0 H HIS A 74 -11.047 -11.294 -2.617 1.00 0.79 H new ATOM 0 HA HIS A 74 -8.527 -11.027 -3.980 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -9.915 -13.312 -2.515 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -8.291 -13.420 -3.163 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -7.082 -13.630 -0.690 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.302 -9.834 0.728 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -6.796 -11.844 1.211 1.00 0.82 H new ATOM 891 N LYS A 75 -10.851 -12.048 -5.718 1.00 0.89 N ATOM 892 CA LYS A 75 -11.267 -12.645 -6.971 1.00 0.97 C ATOM 893 C LYS A 75 -11.176 -11.621 -8.092 1.00 0.92 C ATOM 894 O LYS A 75 -10.460 -11.821 -9.074 1.00 1.11 O ATOM 895 CB LYS A 75 -12.697 -13.181 -6.858 1.00 1.09 C ATOM 896 CG LYS A 75 -12.881 -14.200 -5.746 1.00 1.20 C ATOM 897 CD LYS A 75 -12.614 -15.609 -6.241 1.00 1.68 C ATOM 898 CE LYS A 75 -12.227 -16.539 -5.105 1.00 2.05 C ATOM 899 NZ LYS A 75 -13.144 -17.704 -5.011 1.00 2.86 N ATOM 0 H LYS A 75 -11.507 -11.367 -5.336 1.00 0.89 H new ATOM 0 HA LYS A 75 -10.602 -13.478 -7.199 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -13.376 -12.346 -6.689 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -12.981 -13.636 -7.807 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -12.207 -13.968 -4.922 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -13.896 -14.136 -5.355 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -13.503 -15.994 -6.740 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -11.816 -15.589 -6.983 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -11.206 -16.891 -5.255 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -12.240 -15.989 -4.164 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -12.848 -18.316 -4.224 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -14.114 -17.369 -4.843 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -13.113 -18.243 -5.900 1.00 2.86 H new ATOM 913 N ILE A 76 -11.888 -10.516 -7.924 1.00 0.78 N ATOM 914 CA ILE A 76 -11.903 -9.459 -8.926 1.00 0.77 C ATOM 915 C ILE A 76 -10.587 -8.686 -8.920 1.00 0.69 C ATOM 916 O ILE A 76 -10.025 -8.378 -9.972 1.00 0.78 O ATOM 917 CB ILE A 76 -13.081 -8.486 -8.695 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.409 -9.207 -8.917 1.00 0.94 C ATOM 919 CG2 ILE A 76 -12.981 -7.271 -9.614 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.553 -8.618 -8.125 1.00 1.00 C ATOM 0 H ILE A 76 -12.463 -10.328 -7.103 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.030 -9.934 -9.899 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.033 -8.134 -7.664 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -14.658 -9.176 -9.978 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.293 -10.257 -8.647 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.823 -6.604 -9.429 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.049 -6.741 -9.417 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -12.999 -7.599 -10.653 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.465 -9.179 -8.331 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.325 -8.674 -7.061 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.695 -7.576 -8.412 1.00 1.00 H new ATOM 932 N ILE A 77 -10.091 -8.389 -7.731 1.00 0.58 N ATOM 933 CA ILE A 77 -8.862 -7.636 -7.593 1.00 0.53 C ATOM 934 C ILE A 77 -7.668 -8.580 -7.612 1.00 0.64 C ATOM 935 O ILE A 77 -7.614 -9.558 -6.860 1.00 0.75 O ATOM 936 CB ILE A 77 -8.866 -6.782 -6.303 1.00 0.46 C ATOM 937 CG1 ILE A 77 -9.991 -5.742 -6.359 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.528 -6.092 -6.098 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.002 -4.925 -7.636 1.00 0.50 C ATOM 0 H ILE A 77 -10.523 -8.660 -6.848 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.784 -6.952 -8.438 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.038 -7.449 -5.458 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -10.949 -6.251 -6.255 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -9.894 -5.068 -5.508 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.561 -5.499 -5.184 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -6.741 -6.842 -6.017 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.321 -5.440 -6.946 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.825 -4.211 -7.604 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.059 -4.388 -7.732 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.131 -5.588 -8.491 1.00 0.50 H new ATOM 951 N LYS A 78 -6.726 -8.293 -8.503 1.00 0.74 N ATOM 952 CA LYS A 78 -5.556 -9.140 -8.694 1.00 0.90 C ATOM 953 C LYS A 78 -4.708 -9.188 -7.429 1.00 0.73 C ATOM 954 O LYS A 78 -4.408 -10.262 -6.915 1.00 0.72 O ATOM 955 CB LYS A 78 -4.721 -8.634 -9.875 1.00 1.16 C ATOM 956 CG LYS A 78 -5.390 -8.843 -11.229 1.00 1.45 C ATOM 957 CD LYS A 78 -6.072 -7.577 -11.729 1.00 1.67 C ATOM 958 CE LYS A 78 -7.569 -7.783 -11.934 1.00 1.72 C ATOM 959 NZ LYS A 78 -7.972 -7.603 -13.355 1.00 1.99 N ATOM 0 H LYS A 78 -6.751 -7.473 -9.109 1.00 0.74 H new ATOM 0 HA LYS A 78 -5.899 -10.151 -8.913 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -4.520 -7.571 -9.738 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -3.757 -9.143 -9.873 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -4.644 -9.165 -11.956 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -6.125 -9.644 -11.151 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -5.911 -6.771 -11.014 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -5.616 -7.265 -12.669 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -7.845 -8.785 -11.604 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.120 -7.079 -11.310 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -8.997 -7.752 -13.447 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.734 -6.639 -13.664 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -7.467 -8.292 -13.949 1.00 1.99 H new ATOM 973 N ASN A 79 -4.332 -8.022 -6.928 1.00 0.67 N ATOM 974 CA ASN A 79 -3.556 -7.944 -5.699 1.00 0.56 C ATOM 975 C ASN A 79 -4.321 -7.135 -4.657 1.00 0.54 C ATOM 976 O ASN A 79 -4.272 -5.908 -4.660 1.00 0.52 O ATOM 977 CB ASN A 79 -2.171 -7.309 -5.934 1.00 0.60 C ATOM 978 CG ASN A 79 -1.662 -7.446 -7.362 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.638 -8.537 -7.931 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.239 -6.335 -7.949 1.00 1.28 N ATOM 0 H ASN A 79 -4.550 -7.120 -7.351 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.400 -8.961 -5.340 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.219 -6.251 -5.676 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -1.452 -7.770 -5.257 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.879 -6.367 -8.903 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.274 -5.448 -7.447 1.00 1.28 H new ATOM 987 N PRO A 80 -5.069 -7.809 -3.770 1.00 0.58 N ATOM 988 CA PRO A 80 -5.821 -7.132 -2.707 1.00 0.60 C ATOM 989 C PRO A 80 -4.893 -6.499 -1.671 1.00 0.55 C ATOM 990 O PRO A 80 -4.364 -7.182 -0.793 1.00 0.64 O ATOM 991 CB PRO A 80 -6.651 -8.255 -2.084 1.00 0.70 C ATOM 992 CG PRO A 80 -5.928 -9.515 -2.415 1.00 0.89 C ATOM 993 CD PRO A 80 -5.241 -9.273 -3.730 1.00 0.67 C ATOM 0 HA PRO A 80 -6.428 -6.310 -3.087 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.740 -8.125 -1.005 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.663 -8.266 -2.488 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.205 -9.764 -1.638 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.621 -10.354 -2.486 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.283 -9.790 -3.783 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.842 -9.629 -4.567 1.00 0.67 H new ATOM 1001 N MET A 81 -4.690 -5.196 -1.787 1.00 0.46 N ATOM 1002 CA MET A 81 -3.766 -4.488 -0.915 1.00 0.43 C ATOM 1003 C MET A 81 -4.423 -3.288 -0.272 1.00 0.43 C ATOM 1004 O MET A 81 -5.424 -2.763 -0.763 1.00 0.55 O ATOM 1005 CB MET A 81 -2.530 -4.042 -1.692 1.00 0.44 C ATOM 1006 CG MET A 81 -1.285 -4.832 -1.335 1.00 0.74 C ATOM 1007 SD MET A 81 -0.764 -5.947 -2.651 1.00 0.82 S ATOM 1008 CE MET A 81 -1.305 -7.514 -1.975 1.00 0.70 C ATOM 0 H MET A 81 -5.154 -4.606 -2.478 1.00 0.46 H new ATOM 0 HA MET A 81 -3.466 -5.179 -0.127 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.723 -4.143 -2.760 1.00 0.44 H new ATOM 0 HB3 MET A 81 -2.349 -2.984 -1.500 1.00 0.44 H new ATOM 0 HG2 MET A 81 -0.474 -4.140 -1.109 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.474 -5.409 -0.430 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.660 -8.311 -2.343 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.253 -7.478 -0.887 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.333 -7.708 -2.283 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.821 -2.857 0.816 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.322 -1.751 1.602 1.00 0.36 C ATOM 1020 C ASP A 82 -3.146 -0.858 1.994 1.00 0.35 C ATOM 1021 O ASP A 82 -2.483 -0.295 1.128 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.068 -2.276 2.840 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.310 -3.379 3.553 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.381 -4.550 3.118 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.621 -3.075 4.541 1.00 1.32 O ATOM 0 H ASP A 82 -2.963 -3.268 1.183 1.00 0.37 H new ATOM 0 HA ASP A 82 -5.032 -1.164 1.019 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.240 -1.452 3.533 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -6.047 -2.649 2.539 1.00 0.38 H new ATOM 1030 N MET A 83 -2.866 -0.749 3.279 1.00 0.27 N ATOM 1031 CA MET A 83 -1.711 0.012 3.736 1.00 0.26 C ATOM 1032 C MET A 83 -0.919 -0.781 4.764 1.00 0.25 C ATOM 1033 O MET A 83 0.263 -0.519 4.988 1.00 0.26 O ATOM 1034 CB MET A 83 -2.136 1.360 4.315 1.00 0.31 C ATOM 1035 CG MET A 83 -1.115 2.460 4.086 1.00 0.43 C ATOM 1036 SD MET A 83 -1.874 4.087 3.941 1.00 0.80 S ATOM 1037 CE MET A 83 -2.607 4.265 5.564 1.00 0.38 C ATOM 0 H MET A 83 -3.417 -1.174 4.024 1.00 0.27 H new ATOM 0 HA MET A 83 -1.071 0.200 2.874 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.085 1.656 3.869 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.307 1.250 5.386 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.403 2.467 4.911 1.00 0.43 H new ATOM 0 HG3 MET A 83 -0.550 2.244 3.179 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.782 5.321 5.771 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.555 3.727 5.596 1.00 0.38 H new ATOM 0 HE3 MET A 83 -1.932 3.855 6.315 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.564 -1.774 5.360 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.914 -2.601 6.347 1.00 0.29 C ATOM 1049 C GLY A 84 -0.135 -3.707 5.681 1.00 0.26 C ATOM 1050 O GLY A 84 0.876 -4.178 6.199 1.00 0.32 O ATOM 0 H GLY A 84 -2.536 -2.020 5.172 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.245 -1.993 6.956 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.658 -3.027 7.020 1.00 0.29 H new ATOM 1054 N THR A 85 -0.610 -4.114 4.518 1.00 0.24 N ATOM 1055 CA THR A 85 0.069 -5.117 3.725 1.00 0.25 C ATOM 1056 C THR A 85 1.335 -4.541 3.108 1.00 0.26 C ATOM 1057 O THR A 85 2.369 -5.210 3.042 1.00 0.32 O ATOM 1058 CB THR A 85 -0.850 -5.652 2.614 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.807 -4.642 2.252 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.576 -6.907 3.069 1.00 0.84 C ATOM 0 H THR A 85 -1.471 -3.760 4.101 1.00 0.24 H new ATOM 0 HA THR A 85 0.336 -5.941 4.386 1.00 0.25 H new ATOM 0 HB THR A 85 -0.237 -5.904 1.749 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.696 -4.904 2.571 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.220 -7.266 2.266 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.847 -7.677 3.322 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.182 -6.679 3.946 1.00 0.84 H new ATOM 1068 N ILE A 86 1.242 -3.290 2.672 1.00 0.27 N ATOM 1069 CA ILE A 86 2.383 -2.579 2.116 1.00 0.31 C ATOM 1070 C ILE A 86 3.503 -2.486 3.148 1.00 0.29 C ATOM 1071 O ILE A 86 4.648 -2.849 2.873 1.00 0.32 O ATOM 1072 CB ILE A 86 1.977 -1.162 1.645 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.142 -1.261 0.365 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.202 -0.285 1.419 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.394 0.007 0.014 1.00 0.97 C ATOM 0 H ILE A 86 0.380 -2.745 2.694 1.00 0.27 H new ATOM 0 HA ILE A 86 2.741 -3.138 1.252 1.00 0.31 H new ATOM 0 HB ILE A 86 1.377 -0.696 2.427 1.00 0.36 H new ATOM 0 HG12 ILE A 86 1.798 -1.524 -0.464 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.425 -2.074 0.474 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.885 0.704 1.089 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.762 -0.195 2.350 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.837 -0.736 0.656 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.172 -0.147 -0.905 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.290 0.262 0.823 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.105 0.821 -0.130 1.00 0.97 H new ATOM 1087 N LYS A 87 3.161 -2.035 4.350 1.00 0.29 N ATOM 1088 CA LYS A 87 4.156 -1.878 5.399 1.00 0.34 C ATOM 1089 C LYS A 87 4.642 -3.233 5.913 1.00 0.34 C ATOM 1090 O LYS A 87 5.734 -3.325 6.468 1.00 0.38 O ATOM 1091 CB LYS A 87 3.622 -1.021 6.557 1.00 0.41 C ATOM 1092 CG LYS A 87 2.323 -1.524 7.162 1.00 0.49 C ATOM 1093 CD LYS A 87 2.559 -2.267 8.467 1.00 0.69 C ATOM 1094 CE LYS A 87 2.661 -1.316 9.644 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.038 -2.030 10.893 1.00 1.15 N ATOM 0 H LYS A 87 2.212 -1.775 4.618 1.00 0.29 H new ATOM 0 HA LYS A 87 5.007 -1.357 4.959 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.380 -0.976 7.339 1.00 0.41 H new ATOM 0 HB3 LYS A 87 3.472 -0.002 6.200 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.654 -0.682 7.339 1.00 0.49 H new ATOM 0 HG3 LYS A 87 1.823 -2.184 6.453 1.00 0.49 H new ATOM 0 HD2 LYS A 87 1.744 -2.971 8.637 1.00 0.69 H new ATOM 0 HD3 LYS A 87 3.475 -2.852 8.392 1.00 0.69 H new ATOM 0 HE2 LYS A 87 3.401 -0.546 9.427 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.706 -0.810 9.787 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.440 -1.353 11.572 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.194 -2.475 11.307 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.744 -2.762 10.675 1.00 1.15 H new ATOM 1109 N LYS A 88 3.847 -4.289 5.718 1.00 0.35 N ATOM 1110 CA LYS A 88 4.240 -5.619 6.172 1.00 0.39 C ATOM 1111 C LYS A 88 5.472 -6.107 5.415 1.00 0.41 C ATOM 1112 O LYS A 88 6.393 -6.666 6.008 1.00 0.46 O ATOM 1113 CB LYS A 88 3.083 -6.610 6.010 1.00 0.42 C ATOM 1114 CG LYS A 88 3.254 -7.903 6.800 1.00 0.73 C ATOM 1115 CD LYS A 88 3.504 -7.645 8.284 1.00 1.26 C ATOM 1116 CE LYS A 88 2.342 -6.910 8.939 1.00 1.68 C ATOM 1117 NZ LYS A 88 2.364 -7.041 10.419 1.00 2.46 N ATOM 0 H LYS A 88 2.939 -4.247 5.255 1.00 0.35 H new ATOM 0 HA LYS A 88 4.492 -5.555 7.231 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.158 -6.126 6.323 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.974 -6.854 4.953 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.361 -8.517 6.685 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.087 -8.472 6.387 1.00 0.73 H new ATOM 0 HD2 LYS A 88 3.667 -8.594 8.795 1.00 1.26 H new ATOM 0 HD3 LYS A 88 4.416 -7.059 8.402 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.381 -5.855 8.668 1.00 1.68 H new ATOM 0 HE3 LYS A 88 1.401 -7.303 8.554 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 1.557 -6.526 10.825 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 2.301 -8.046 10.680 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 3.250 -6.643 10.790 1.00 2.46 H new ATOM 1131 N ARG A 89 5.492 -5.881 4.107 1.00 0.40 N ATOM 1132 CA ARG A 89 6.641 -6.237 3.287 1.00 0.44 C ATOM 1133 C ARG A 89 7.836 -5.353 3.631 1.00 0.43 C ATOM 1134 O ARG A 89 8.989 -5.786 3.554 1.00 0.48 O ATOM 1135 CB ARG A 89 6.307 -6.082 1.804 1.00 0.47 C ATOM 1136 CG ARG A 89 5.309 -7.097 1.276 1.00 0.68 C ATOM 1137 CD ARG A 89 4.961 -6.813 -0.179 1.00 0.64 C ATOM 1138 NE ARG A 89 5.943 -7.384 -1.105 1.00 0.59 N ATOM 1139 CZ ARG A 89 6.132 -6.955 -2.354 1.00 0.78 C ATOM 1140 NH1 ARG A 89 5.484 -5.900 -2.803 1.00 1.16 N ATOM 1141 NH2 ARG A 89 7.005 -7.559 -3.143 1.00 1.03 N ATOM 0 H ARG A 89 4.723 -5.452 3.592 1.00 0.40 H new ATOM 0 HA ARG A 89 6.894 -7.277 3.491 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.911 -5.080 1.636 1.00 0.47 H new ATOM 0 HB3 ARG A 89 7.228 -6.162 1.226 1.00 0.47 H new ATOM 0 HG2 ARG A 89 5.724 -8.101 1.365 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.403 -7.071 1.882 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.975 -7.221 -0.401 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.903 -5.736 -0.333 1.00 0.64 H new ATOM 0 HE ARG A 89 6.518 -8.158 -0.774 1.00 0.59 H new ATOM 0 HH11 ARG A 89 4.832 -5.405 -2.195 1.00 1.16 H new ATOM 0 HH12 ARG A 89 5.634 -5.578 -3.759 1.00 1.16 H new ATOM 0 HH21 ARG A 89 7.538 -8.357 -2.797 1.00 1.03 H new ATOM 0 HH22 ARG A 89 7.145 -7.227 -4.097 1.00 1.03 H new ATOM 1155 N LEU A 90 7.542 -4.115 4.010 1.00 0.40 N ATOM 1156 CA LEU A 90 8.565 -3.124 4.316 1.00 0.41 C ATOM 1157 C LEU A 90 9.316 -3.468 5.595 1.00 0.44 C ATOM 1158 O LEU A 90 10.531 -3.664 5.580 1.00 0.49 O ATOM 1159 CB LEU A 90 7.924 -1.744 4.471 1.00 0.39 C ATOM 1160 CG LEU A 90 8.063 -0.819 3.267 1.00 0.38 C ATOM 1161 CD1 LEU A 90 7.164 0.395 3.426 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.513 -0.397 3.080 1.00 0.45 C ATOM 0 H LEU A 90 6.588 -3.770 4.114 1.00 0.40 H new ATOM 0 HA LEU A 90 9.275 -3.120 3.489 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.864 -1.877 4.685 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.365 -1.253 5.338 1.00 0.39 H new ATOM 0 HG LEU A 90 7.751 -1.362 2.375 1.00 0.38 H new ATOM 0 HD11 LEU A 90 7.275 1.046 2.559 1.00 0.38 H new ATOM 0 HD12 LEU A 90 6.126 0.071 3.507 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.445 0.940 4.327 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.591 0.263 2.216 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.857 0.129 3.971 1.00 0.45 H new ATOM 0 HD23 LEU A 90 10.131 -1.280 2.919 1.00 0.45 H new ATOM 1174 N GLU A 91 8.581 -3.555 6.697 1.00 0.45 N ATOM 1175 CA GLU A 91 9.195 -3.729 8.009 1.00 0.50 C ATOM 1176 C GLU A 91 9.725 -5.148 8.204 1.00 0.54 C ATOM 1177 O GLU A 91 10.522 -5.399 9.108 1.00 0.64 O ATOM 1178 CB GLU A 91 8.209 -3.366 9.125 1.00 0.53 C ATOM 1179 CG GLU A 91 6.961 -4.232 9.166 1.00 0.76 C ATOM 1180 CD GLU A 91 6.040 -3.854 10.306 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.535 -3.447 11.376 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.809 -3.965 10.135 1.00 1.39 O ATOM 0 H GLU A 91 7.562 -3.508 6.709 1.00 0.45 H new ATOM 0 HA GLU A 91 10.046 -3.049 8.061 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.721 -3.442 10.084 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.910 -2.325 9.005 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.425 -4.138 8.222 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.250 -5.278 9.266 1.00 0.76 H new ATOM 1189 N ASN A 92 9.288 -6.073 7.360 1.00 0.51 N ATOM 1190 CA ASN A 92 9.785 -7.441 7.423 1.00 0.57 C ATOM 1191 C ASN A 92 10.933 -7.632 6.446 1.00 0.60 C ATOM 1192 O ASN A 92 11.541 -8.702 6.395 1.00 0.68 O ATOM 1193 CB ASN A 92 8.672 -8.449 7.128 1.00 0.60 C ATOM 1194 CG ASN A 92 8.391 -9.346 8.316 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.309 -9.829 8.978 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.118 -9.568 8.600 1.00 1.30 N ATOM 0 H ASN A 92 8.596 -5.904 6.630 1.00 0.51 H new ATOM 0 HA ASN A 92 10.146 -7.619 8.436 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.762 -7.915 6.853 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.954 -9.060 6.271 1.00 0.60 H new ATOM 0 HD21 ASN A 92 6.868 -10.159 9.393 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.387 -9.148 8.026 1.00 1.30 H new ATOM 1203 N ASN A 93 11.223 -6.577 5.682 1.00 0.58 N ATOM 1204 CA ASN A 93 12.300 -6.590 4.692 1.00 0.62 C ATOM 1205 C ASN A 93 12.170 -7.785 3.751 1.00 0.66 C ATOM 1206 O ASN A 93 13.078 -8.609 3.641 1.00 0.77 O ATOM 1207 CB ASN A 93 13.668 -6.596 5.386 1.00 0.70 C ATOM 1208 CG ASN A 93 14.795 -6.195 4.455 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.804 -6.894 4.345 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.638 -5.063 3.790 1.00 1.22 N ATOM 0 H ASN A 93 10.719 -5.692 5.732 1.00 0.58 H new ATOM 0 HA ASN A 93 12.218 -5.683 4.094 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.643 -5.914 6.236 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.866 -7.592 5.782 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.368 -4.738 3.156 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.786 -4.515 3.911 1.00 1.22 H new ATOM 1217 N TYR A 94 11.030 -7.884 3.080 1.00 0.61 N ATOM 1218 CA TYR A 94 10.791 -8.981 2.154 1.00 0.67 C ATOM 1219 C TYR A 94 11.560 -8.772 0.853 1.00 0.70 C ATOM 1220 O TYR A 94 12.240 -9.677 0.369 1.00 0.79 O ATOM 1221 CB TYR A 94 9.295 -9.119 1.848 1.00 0.71 C ATOM 1222 CG TYR A 94 9.011 -9.989 0.645 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.336 -11.340 0.644 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.439 -9.453 -0.497 1.00 0.74 C ATOM 1225 CE1 TYR A 94 9.092 -12.133 -0.461 1.00 0.83 C ATOM 1226 CE2 TYR A 94 8.197 -10.240 -1.606 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.523 -11.573 -1.584 1.00 0.85 C ATOM 1228 OH TYR A 94 8.285 -12.342 -2.699 1.00 0.96 O ATOM 0 H TYR A 94 10.260 -7.220 3.160 1.00 0.61 H new ATOM 0 HA TYR A 94 11.143 -9.897 2.630 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.790 -9.538 2.718 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.872 -8.128 1.680 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.787 -11.778 1.522 1.00 0.77 H new ATOM 0 HD2 TYR A 94 8.179 -8.405 -0.521 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.345 -13.183 -0.445 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.752 -9.807 -2.489 1.00 0.81 H new ATOM 0 HH TYR A 94 7.879 -11.788 -3.398 1.00 0.96 H new ATOM 1238 N TYR A 95 11.441 -7.581 0.293 1.00 0.77 N ATOM 1239 CA TYR A 95 12.038 -7.284 -1.000 1.00 0.88 C ATOM 1240 C TYR A 95 13.368 -6.573 -0.840 1.00 0.75 C ATOM 1241 O TYR A 95 13.799 -6.267 0.274 1.00 1.04 O ATOM 1242 CB TYR A 95 11.098 -6.425 -1.858 1.00 1.17 C ATOM 1243 CG TYR A 95 10.240 -5.456 -1.071 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.789 -4.685 -0.057 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.885 -5.311 -1.343 1.00 0.92 C ATOM 1246 CE1 TYR A 95 10.013 -3.796 0.659 1.00 1.09 C ATOM 1247 CE2 TYR A 95 8.107 -4.423 -0.632 1.00 0.96 C ATOM 1248 CZ TYR A 95 8.659 -3.691 0.376 1.00 1.04 C ATOM 1249 OH TYR A 95 7.903 -2.784 1.068 1.00 1.28 O ATOM 0 H TYR A 95 10.935 -6.801 0.713 1.00 0.77 H new ATOM 0 HA TYR A 95 12.206 -8.236 -1.503 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.695 -5.862 -2.576 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.447 -7.084 -2.432 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.839 -4.782 0.176 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.434 -5.904 -2.125 1.00 0.92 H new ATOM 0 HE1 TYR A 95 10.456 -3.187 1.433 1.00 1.09 H new ATOM 0 HE2 TYR A 95 7.061 -4.307 -0.874 1.00 0.96 H new ATOM 0 HH TYR A 95 7.344 -2.279 0.442 1.00 1.28 H new ATOM 1259 N TRP A 96 14.004 -6.308 -1.965 1.00 0.72 N ATOM 1260 CA TRP A 96 15.287 -5.638 -1.979 1.00 0.65 C ATOM 1261 C TRP A 96 15.116 -4.137 -1.760 1.00 0.61 C ATOM 1262 O TRP A 96 15.799 -3.541 -0.930 1.00 0.64 O ATOM 1263 CB TRP A 96 15.992 -5.898 -3.312 1.00 0.68 C ATOM 1264 CG TRP A 96 17.461 -5.633 -3.269 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.069 -4.471 -2.906 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.508 -6.545 -3.607 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.427 -4.608 -2.986 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.724 -5.869 -3.420 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.536 -7.869 -4.050 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.957 -6.465 -3.661 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.764 -8.462 -4.286 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.958 -7.761 -4.092 1.00 1.05 C ATOM 0 H TRP A 96 13.647 -6.550 -2.889 1.00 0.72 H new ATOM 0 HA TRP A 96 15.896 -6.035 -1.166 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.826 -6.934 -3.606 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.540 -5.272 -4.081 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.554 -3.572 -2.600 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.109 -3.885 -2.758 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.619 -8.418 -4.205 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.879 -5.923 -3.513 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.801 -9.486 -4.627 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.899 -8.254 -4.287 1.00 1.05 H new ATOM 1283 N SER A 97 14.193 -3.536 -2.495 1.00 0.60 N ATOM 1284 CA SER A 97 14.043 -2.092 -2.478 1.00 0.56 C ATOM 1285 C SER A 97 12.568 -1.696 -2.556 1.00 0.54 C ATOM 1286 O SER A 97 11.703 -2.528 -2.850 1.00 0.55 O ATOM 1287 CB SER A 97 14.839 -1.493 -3.644 1.00 0.58 C ATOM 1288 OG SER A 97 14.541 -0.119 -3.838 1.00 1.00 O ATOM 0 H SER A 97 13.540 -4.024 -3.108 1.00 0.60 H new ATOM 0 HA SER A 97 14.433 -1.698 -1.539 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.906 -1.610 -3.453 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.616 -2.045 -4.557 1.00 0.58 H new ATOM 0 HG SER A 97 15.178 0.428 -3.333 1.00 1.00 H new ATOM 1294 N ALA A 98 12.293 -0.419 -2.310 1.00 0.54 N ATOM 1295 CA ALA A 98 10.928 0.083 -2.247 1.00 0.56 C ATOM 1296 C ALA A 98 10.338 0.281 -3.638 1.00 0.52 C ATOM 1297 O ALA A 98 9.132 0.484 -3.777 1.00 0.53 O ATOM 1298 CB ALA A 98 10.883 1.386 -1.467 1.00 0.66 C ATOM 0 H ALA A 98 13.007 0.292 -2.150 1.00 0.54 H new ATOM 0 HA ALA A 98 10.323 -0.664 -1.733 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.857 1.751 -1.427 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.247 1.216 -0.454 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.513 2.127 -1.960 1.00 0.66 H new ATOM 1304 N SER A 99 11.177 0.215 -4.667 1.00 0.52 N ATOM 1305 CA SER A 99 10.704 0.361 -6.040 1.00 0.54 C ATOM 1306 C SER A 99 9.681 -0.724 -6.374 1.00 0.48 C ATOM 1307 O SER A 99 8.798 -0.527 -7.206 1.00 0.50 O ATOM 1308 CB SER A 99 11.878 0.304 -7.014 1.00 0.62 C ATOM 1309 OG SER A 99 13.091 0.634 -6.360 1.00 0.85 O ATOM 0 H SER A 99 12.182 0.062 -4.578 1.00 0.52 H new ATOM 0 HA SER A 99 10.218 1.332 -6.136 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.952 -0.695 -7.444 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.705 0.994 -7.840 1.00 0.62 H new ATOM 0 HG SER A 99 13.037 1.549 -6.013 1.00 0.85 H new ATOM 1315 N GLU A 100 9.795 -1.862 -5.698 1.00 0.46 N ATOM 1316 CA GLU A 100 8.853 -2.954 -5.883 1.00 0.48 C ATOM 1317 C GLU A 100 7.536 -2.642 -5.174 1.00 0.44 C ATOM 1318 O GLU A 100 6.459 -2.947 -5.678 1.00 0.52 O ATOM 1319 CB GLU A 100 9.454 -4.264 -5.366 1.00 0.56 C ATOM 1320 CG GLU A 100 9.250 -5.436 -6.316 1.00 1.03 C ATOM 1321 CD GLU A 100 8.535 -6.600 -5.664 1.00 1.83 C ATOM 1322 OE1 GLU A 100 7.298 -6.531 -5.515 1.00 2.44 O ATOM 1323 OE2 GLU A 100 9.201 -7.588 -5.300 1.00 2.37 O ATOM 0 H GLU A 100 10.531 -2.050 -5.018 1.00 0.46 H new ATOM 0 HA GLU A 100 8.649 -3.068 -6.948 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.522 -4.124 -5.197 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.007 -4.505 -4.401 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.677 -5.102 -7.181 1.00 1.03 H new ATOM 0 HG3 GLU A 100 10.219 -5.771 -6.686 1.00 1.03 H new ATOM 1330 N CYS A 101 7.631 -1.987 -4.021 1.00 0.41 N ATOM 1331 CA CYS A 101 6.453 -1.619 -3.243 1.00 0.44 C ATOM 1332 C CYS A 101 5.668 -0.510 -3.936 1.00 0.38 C ATOM 1333 O CYS A 101 4.493 -0.286 -3.639 1.00 0.38 O ATOM 1334 CB CYS A 101 6.840 -1.188 -1.831 1.00 0.57 C ATOM 1335 SG CYS A 101 5.700 -1.775 -0.555 1.00 0.95 S ATOM 0 H CYS A 101 8.516 -1.699 -3.603 1.00 0.41 H new ATOM 0 HA CYS A 101 5.817 -2.501 -3.170 1.00 0.44 H new ATOM 0 HB2 CYS A 101 7.841 -1.557 -1.609 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.886 -0.100 -1.792 1.00 0.57 H new ATOM 0 HG CYS A 101 5.098 -2.849 -0.972 1.00 0.95 H new ATOM 1341 N MET A 102 6.330 0.205 -4.841 1.00 0.39 N ATOM 1342 CA MET A 102 5.661 1.203 -5.669 1.00 0.44 C ATOM 1343 C MET A 102 4.498 0.564 -6.427 1.00 0.36 C ATOM 1344 O MET A 102 3.525 1.231 -6.783 1.00 0.39 O ATOM 1345 CB MET A 102 6.647 1.830 -6.660 1.00 0.58 C ATOM 1346 CG MET A 102 7.517 2.919 -6.052 1.00 0.75 C ATOM 1347 SD MET A 102 6.659 4.502 -5.929 1.00 1.02 S ATOM 1348 CE MET A 102 6.828 4.844 -4.177 1.00 1.13 C ATOM 0 H MET A 102 7.330 0.112 -5.020 1.00 0.39 H new ATOM 0 HA MET A 102 5.275 1.987 -5.018 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.289 1.047 -7.064 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.089 2.248 -7.498 1.00 0.58 H new ATOM 0 HG2 MET A 102 7.842 2.608 -5.059 1.00 0.75 H new ATOM 0 HG3 MET A 102 8.415 3.042 -6.657 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.017 5.907 -4.030 1.00 1.13 H new ATOM 0 HE2 MET A 102 5.909 4.564 -3.661 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.661 4.268 -3.773 1.00 1.13 H new ATOM 1358 N GLN A 103 4.607 -0.739 -6.659 1.00 0.34 N ATOM 1359 CA GLN A 103 3.551 -1.497 -7.311 1.00 0.36 C ATOM 1360 C GLN A 103 2.400 -1.731 -6.338 1.00 0.30 C ATOM 1361 O GLN A 103 1.231 -1.640 -6.712 1.00 0.31 O ATOM 1362 CB GLN A 103 4.124 -2.822 -7.838 1.00 0.43 C ATOM 1363 CG GLN A 103 3.371 -4.075 -7.410 1.00 1.36 C ATOM 1364 CD GLN A 103 4.306 -5.248 -7.197 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.574 -6.017 -8.122 1.00 2.70 O ATOM 1366 NE2 GLN A 103 4.806 -5.399 -5.983 1.00 2.96 N ATOM 0 H GLN A 103 5.423 -1.294 -6.402 1.00 0.34 H new ATOM 0 HA GLN A 103 3.159 -0.934 -8.158 1.00 0.36 H new ATOM 0 HB2 GLN A 103 4.141 -2.783 -8.927 1.00 0.43 H new ATOM 0 HB3 GLN A 103 5.158 -2.909 -7.506 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.825 -3.874 -6.489 1.00 1.36 H new ATOM 0 HG3 GLN A 103 2.632 -4.332 -8.169 1.00 1.36 H new ATOM 0 HE21 GLN A 103 4.559 -4.740 -5.244 1.00 2.96 H new ATOM 0 HE22 GLN A 103 5.439 -6.174 -5.785 1.00 2.96 H new ATOM 1375 N ASP A 104 2.748 -2.016 -5.088 1.00 0.30 N ATOM 1376 CA ASP A 104 1.765 -2.237 -4.026 1.00 0.32 C ATOM 1377 C ASP A 104 0.901 -1.002 -3.841 1.00 0.29 C ATOM 1378 O ASP A 104 -0.325 -1.077 -3.885 1.00 0.31 O ATOM 1379 CB ASP A 104 2.440 -2.551 -2.680 1.00 0.48 C ATOM 1380 CG ASP A 104 3.545 -3.585 -2.751 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.947 -3.943 -3.880 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.010 -4.061 -1.694 1.00 1.87 O ATOM 0 H ASP A 104 3.717 -2.101 -4.780 1.00 0.30 H new ATOM 0 HA ASP A 104 1.158 -3.090 -4.330 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.851 -1.628 -2.271 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.680 -2.899 -1.980 1.00 0.48 H new ATOM 1387 N PHE A 105 1.562 0.133 -3.631 1.00 0.30 N ATOM 1388 CA PHE A 105 0.879 1.407 -3.433 1.00 0.33 C ATOM 1389 C PHE A 105 -0.020 1.722 -4.618 1.00 0.32 C ATOM 1390 O PHE A 105 -1.185 2.084 -4.450 1.00 0.38 O ATOM 1391 CB PHE A 105 1.898 2.528 -3.246 1.00 0.38 C ATOM 1392 CG PHE A 105 1.964 3.062 -1.845 1.00 0.32 C ATOM 1393 CD1 PHE A 105 0.956 3.876 -1.348 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.039 2.757 -1.028 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.024 4.375 -0.061 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.111 3.250 0.259 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.102 4.062 0.743 1.00 0.33 C ATOM 0 H PHE A 105 2.579 0.195 -3.593 1.00 0.30 H new ATOM 0 HA PHE A 105 0.263 1.330 -2.537 1.00 0.33 H new ATOM 0 HB2 PHE A 105 2.884 2.161 -3.531 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.653 3.345 -3.925 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.110 4.122 -1.973 1.00 0.36 H new ATOM 0 HD2 PHE A 105 3.831 2.125 -1.402 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.235 5.009 0.315 1.00 0.35 H new ATOM 0 HE2 PHE A 105 3.954 3.002 0.887 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.157 4.451 1.749 1.00 0.33 H new ATOM 1407 N ASN A 106 0.532 1.574 -5.818 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.226 1.780 -7.045 1.00 0.34 C ATOM 1409 C ASN A 106 -1.449 0.870 -7.069 1.00 0.32 C ATOM 1410 O ASN A 106 -2.550 1.306 -7.400 1.00 0.38 O ATOM 1411 CB ASN A 106 0.660 1.520 -8.270 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.136 1.198 -9.522 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.816 2.057 -10.082 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.047 -0.040 -9.973 1.00 0.97 N ATOM 0 H ASN A 106 1.506 1.311 -5.966 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.563 2.816 -7.077 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.279 2.397 -8.456 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.336 0.693 -8.053 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.553 -0.314 -10.815 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.528 -0.723 -9.479 1.00 0.97 H new ATOM 1421 N THR A 107 -1.248 -0.387 -6.687 1.00 0.29 N ATOM 1422 CA THR A 107 -2.326 -1.363 -6.665 1.00 0.30 C ATOM 1423 C THR A 107 -3.400 -0.981 -5.649 1.00 0.26 C ATOM 1424 O THR A 107 -4.584 -1.010 -5.965 1.00 0.27 O ATOM 1425 CB THR A 107 -1.812 -2.778 -6.344 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.848 -3.192 -7.322 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.962 -3.769 -6.314 1.00 0.39 C ATOM 0 H THR A 107 -0.344 -0.752 -6.388 1.00 0.29 H new ATOM 0 HA THR A 107 -2.759 -1.365 -7.665 1.00 0.30 H new ATOM 0 HB THR A 107 -1.339 -2.753 -5.362 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.029 -2.816 -7.097 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.579 -4.764 -6.086 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.679 -3.471 -5.549 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.455 -3.784 -7.286 1.00 0.39 H new ATOM 1435 N MET A 108 -2.985 -0.626 -4.433 1.00 0.26 N ATOM 1436 CA MET A 108 -3.925 -0.227 -3.388 1.00 0.26 C ATOM 1437 C MET A 108 -4.885 0.851 -3.896 1.00 0.24 C ATOM 1438 O MET A 108 -6.097 0.768 -3.681 1.00 0.27 O ATOM 1439 CB MET A 108 -3.163 0.281 -2.160 1.00 0.32 C ATOM 1440 CG MET A 108 -4.024 1.079 -1.187 1.00 0.62 C ATOM 1441 SD MET A 108 -3.587 2.829 -1.146 1.00 0.88 S ATOM 1442 CE MET A 108 -2.893 2.964 0.498 1.00 0.83 C ATOM 0 H MET A 108 -2.006 -0.607 -4.149 1.00 0.26 H new ATOM 0 HA MET A 108 -4.513 -1.101 -3.107 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.731 -0.571 -1.634 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.333 0.905 -2.492 1.00 0.32 H new ATOM 0 HG2 MET A 108 -5.072 0.977 -1.468 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.919 0.659 -0.187 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.575 3.991 0.675 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.646 2.685 1.235 1.00 0.83 H new ATOM 0 HE3 MET A 108 -2.035 2.298 0.586 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.336 1.836 -4.600 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.124 2.954 -5.095 1.00 0.23 C ATOM 1454 C PHE A 109 -6.015 2.522 -6.255 1.00 0.23 C ATOM 1455 O PHE A 109 -7.212 2.814 -6.270 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.207 4.101 -5.533 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.732 4.961 -4.394 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.641 5.552 -3.529 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.378 5.179 -4.188 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.208 6.343 -2.482 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.940 5.969 -3.141 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.857 6.552 -2.287 1.00 0.22 C ATOM 0 H PHE A 109 -3.346 1.880 -4.840 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.763 3.303 -4.284 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.341 3.686 -6.049 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.738 4.725 -6.252 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.699 5.392 -3.675 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.657 4.727 -4.853 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.926 6.798 -1.816 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.883 6.130 -2.991 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.518 7.170 -1.469 1.00 0.22 H new ATOM 1472 N THR A 110 -5.434 1.806 -7.214 1.00 0.22 N ATOM 1473 CA THR A 110 -6.174 1.364 -8.389 1.00 0.26 C ATOM 1474 C THR A 110 -7.274 0.386 -8.002 1.00 0.25 C ATOM 1475 O THR A 110 -8.363 0.414 -8.564 1.00 0.27 O ATOM 1476 CB THR A 110 -5.250 0.696 -9.423 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.266 -0.105 -8.764 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.561 1.739 -10.283 1.00 0.66 C ATOM 0 H THR A 110 -4.455 1.521 -7.199 1.00 0.22 H new ATOM 0 HA THR A 110 -6.617 2.254 -8.836 1.00 0.26 H new ATOM 0 HB THR A 110 -5.863 0.061 -10.063 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.462 0.432 -8.602 1.00 0.49 H new ATOM 0 HG21 THR A 110 -3.913 1.244 -11.006 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.311 2.328 -10.811 1.00 0.66 H new ATOM 0 HG23 THR A 110 -3.963 2.395 -9.650 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.975 -0.463 -7.030 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.932 -1.437 -6.514 1.00 0.27 C ATOM 1488 C ASN A 111 -9.216 -0.738 -6.077 1.00 0.26 C ATOM 1489 O ASN A 111 -10.317 -1.178 -6.410 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.309 -2.212 -5.346 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.306 -2.566 -4.261 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.211 -3.370 -4.474 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -8.145 -1.968 -3.091 1.00 1.61 N ATOM 0 H ASN A 111 -6.063 -0.498 -6.575 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.183 -2.144 -7.305 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.857 -3.128 -5.727 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.506 -1.617 -4.911 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.786 -2.168 -2.323 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -7.380 -1.307 -2.957 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.060 0.366 -5.356 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.189 1.177 -4.938 1.00 0.30 C ATOM 1502 C CYS A 112 -10.948 1.712 -6.146 1.00 0.31 C ATOM 1503 O CYS A 112 -12.173 1.729 -6.166 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.700 2.342 -4.078 1.00 0.36 C ATOM 1505 SG CYS A 112 -9.854 2.062 -2.302 1.00 0.63 S ATOM 0 H CYS A 112 -8.154 0.719 -5.049 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.865 0.552 -4.354 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -8.655 2.540 -4.314 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -10.262 3.237 -4.344 1.00 0.36 H new ATOM 0 HG CYS A 112 -9.243 3.012 -1.658 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.211 2.127 -7.164 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.817 2.722 -8.348 1.00 0.36 C ATOM 1513 C TYR A 113 -11.487 1.654 -9.221 1.00 0.41 C ATOM 1514 O TYR A 113 -12.331 1.970 -10.061 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.766 3.483 -9.163 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.033 4.555 -8.382 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.666 5.239 -7.352 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.715 4.886 -8.674 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.007 6.220 -6.635 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.050 5.865 -7.963 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.675 6.520 -6.955 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.038 7.504 -6.231 1.00 0.81 O ATOM 0 H TYR A 113 -9.193 2.064 -7.196 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.583 3.423 -8.016 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.038 2.771 -9.552 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.252 3.944 -10.023 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.690 5.000 -7.107 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.202 4.368 -9.471 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.511 6.748 -5.839 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.028 6.110 -8.211 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.244 7.807 -6.719 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.092 0.398 -9.030 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.641 -0.711 -9.805 1.00 0.43 C ATOM 1534 C ILE A 114 -12.821 -1.364 -9.091 1.00 0.47 C ATOM 1535 O ILE A 114 -13.936 -1.382 -9.612 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.574 -1.788 -10.092 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.436 -1.204 -10.932 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.193 -2.986 -10.802 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.171 -2.034 -10.898 1.00 0.44 C ATOM 0 H ILE A 114 -10.391 0.122 -8.342 1.00 0.37 H new ATOM 0 HA ILE A 114 -11.983 -0.286 -10.749 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.167 -2.126 -9.139 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.770 -1.108 -11.965 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.211 -0.199 -10.575 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.423 -3.733 -10.994 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -11.970 -3.420 -10.173 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.630 -2.663 -11.747 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.408 -1.560 -11.515 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -7.812 -2.109 -9.871 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.380 -3.032 -11.283 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.569 -1.908 -7.904 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.595 -2.641 -7.172 1.00 0.51 C ATOM 1553 C TYR A 115 -14.680 -1.695 -6.689 1.00 0.52 C ATOM 1554 O TYR A 115 -15.874 -1.945 -6.879 1.00 0.78 O ATOM 1555 CB TYR A 115 -12.990 -3.388 -5.981 1.00 0.54 C ATOM 1556 CG TYR A 115 -13.950 -4.376 -5.349 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.800 -3.985 -4.322 1.00 0.87 C ATOM 1558 CD2 TYR A 115 -14.000 -5.701 -5.770 1.00 0.77 C ATOM 1559 CE1 TYR A 115 -15.672 -4.883 -3.735 1.00 1.03 C ATOM 1560 CE2 TYR A 115 -14.868 -6.605 -5.186 1.00 0.94 C ATOM 1561 CZ TYR A 115 -15.727 -6.190 -4.207 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.562 -7.092 -3.584 1.00 1.22 O ATOM 0 H TYR A 115 -11.667 -1.855 -7.431 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.035 -3.371 -7.852 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.096 -3.918 -6.309 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.674 -2.665 -5.229 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.779 -2.962 -3.976 1.00 0.87 H new ATOM 0 HD2 TYR A 115 -13.349 -6.029 -6.567 1.00 0.77 H new ATOM 0 HE1 TYR A 115 -16.305 -4.572 -2.917 1.00 1.03 H new ATOM 0 HE2 TYR A 115 -14.867 -7.637 -5.503 1.00 0.94 H new ATOM 0 HH TYR A 115 -16.755 -7.835 -4.194 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.258 -0.617 -6.058 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.175 0.396 -5.582 1.00 0.41 C ATOM 1574 C ASN A 116 -15.590 1.311 -6.728 1.00 0.45 C ATOM 1575 O ASN A 116 -15.011 1.267 -7.816 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.522 1.211 -4.463 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.084 0.348 -3.297 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -12.979 -0.191 -3.279 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -14.959 0.207 -2.320 1.00 0.88 N ATOM 0 H ASN A 116 -13.276 -0.421 -5.862 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.065 -0.093 -5.187 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -13.658 1.743 -4.862 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.225 1.965 -4.109 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -14.730 -0.367 -1.509 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -15.865 0.672 -2.376 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.609 2.114 -6.494 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.068 3.073 -7.482 1.00 0.53 C ATOM 1588 C LYS A 117 -16.486 4.444 -7.176 1.00 0.52 C ATOM 1589 O LYS A 117 -16.062 4.696 -6.049 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.597 3.144 -7.477 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.254 2.301 -8.555 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.755 2.542 -8.610 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.509 1.289 -9.024 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.756 0.384 -7.871 1.00 3.47 N ATOM 0 H LYS A 117 -17.139 2.122 -5.622 1.00 0.48 H new ATOM 0 HA LYS A 117 -16.734 2.753 -8.469 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -18.963 2.820 -6.503 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -18.903 4.182 -7.604 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -18.811 2.535 -9.523 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.060 1.246 -8.363 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.107 2.873 -7.633 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.969 3.346 -9.315 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.461 1.570 -9.475 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -20.939 0.758 -9.787 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -22.272 -0.458 -8.195 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -20.847 0.095 -7.456 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -22.321 0.882 -7.154 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.459 5.363 -8.157 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.007 6.743 -7.933 1.00 0.68 C ATOM 1610 C PRO A 118 -16.884 7.468 -6.912 1.00 0.70 C ATOM 1611 O PRO A 118 -16.529 8.533 -6.405 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.132 7.397 -9.315 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.056 6.521 -10.086 1.00 0.96 C ATOM 1614 CD PRO A 118 -16.844 5.131 -9.562 1.00 0.68 C ATOM 0 HA PRO A 118 -14.996 6.784 -7.528 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.526 8.410 -9.236 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.161 7.470 -9.804 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.092 6.834 -9.953 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.842 6.572 -11.154 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -17.749 4.528 -9.639 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.064 4.606 -10.113 1.00 0.68 H new ATOM 1622 N THR A 119 -18.031 6.867 -6.623 1.00 0.67 N ATOM 1623 CA THR A 119 -18.979 7.396 -5.659 1.00 0.77 C ATOM 1624 C THR A 119 -18.787 6.757 -4.284 1.00 0.69 C ATOM 1625 O THR A 119 -19.448 7.130 -3.314 1.00 0.78 O ATOM 1626 CB THR A 119 -20.409 7.116 -6.143 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.360 6.202 -7.251 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.102 8.401 -6.564 1.00 1.23 C ATOM 0 H THR A 119 -18.329 5.993 -7.056 1.00 0.67 H new ATOM 0 HA THR A 119 -18.809 8.469 -5.571 1.00 0.77 H new ATOM 0 HB THR A 119 -20.979 6.678 -5.324 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.270 6.018 -7.564 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.113 8.175 -6.903 1.00 1.23 H new ATOM 0 HG22 THR A 119 -21.147 9.084 -5.716 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.543 8.867 -7.376 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.878 5.791 -4.204 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.654 5.059 -2.968 1.00 0.59 C ATOM 1638 C ASP A 120 -16.906 5.922 -1.968 1.00 0.47 C ATOM 1639 O ASP A 120 -16.081 6.758 -2.343 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.869 3.777 -3.232 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.763 2.558 -3.348 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -18.934 2.711 -3.752 1.00 1.19 O ATOM 1643 OD2 ASP A 120 -17.312 1.444 -3.016 1.00 1.34 O ATOM 0 H ASP A 120 -17.286 5.499 -4.981 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.626 4.794 -2.553 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.295 3.890 -4.151 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.152 3.622 -2.425 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.189 5.699 -0.697 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.624 6.512 0.376 1.00 0.51 C ATOM 1650 C ASP A 121 -15.105 6.403 0.405 1.00 0.39 C ATOM 1651 O ASP A 121 -14.399 7.404 0.545 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.194 6.081 1.726 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.237 7.043 2.257 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.016 8.268 2.182 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -19.284 6.573 2.752 1.00 1.44 O ATOM 0 H ASP A 121 -17.811 4.957 -0.377 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.894 7.550 0.185 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.637 5.090 1.629 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.382 5.998 2.448 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.609 5.181 0.255 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.176 4.928 0.298 1.00 0.27 C ATOM 1662 C ILE A 122 -12.463 5.574 -0.888 1.00 0.25 C ATOM 1663 O ILE A 122 -11.328 6.025 -0.759 1.00 0.29 O ATOM 1664 CB ILE A 122 -12.862 3.415 0.335 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.353 3.183 0.472 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.397 2.720 -0.907 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.879 3.085 1.904 1.00 0.42 C ATOM 0 H ILE A 122 -15.180 4.349 0.102 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.806 5.378 1.219 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.359 2.986 1.205 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.087 2.266 -0.053 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -10.823 3.998 -0.021 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.164 1.656 -0.858 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.478 2.852 -0.961 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -12.934 3.152 -1.794 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.802 2.921 1.920 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.113 4.011 2.429 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.380 2.252 2.397 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.134 5.638 -2.035 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.549 6.257 -3.217 1.00 0.25 C ATOM 1681 C VAL A 123 -12.360 7.746 -2.978 1.00 0.24 C ATOM 1682 O VAL A 123 -11.324 8.321 -3.324 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.424 6.033 -4.472 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.309 7.209 -5.435 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.035 4.734 -5.161 1.00 0.32 C ATOM 0 H VAL A 123 -14.076 5.271 -2.169 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.582 5.787 -3.397 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.464 5.961 -4.155 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.934 7.026 -6.309 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.639 8.121 -4.937 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.271 7.322 -5.748 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.659 4.589 -6.043 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -11.988 4.781 -5.461 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.179 3.900 -4.474 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.362 8.358 -2.362 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.308 9.772 -2.032 1.00 0.31 C ATOM 1697 C LEU A 124 -12.129 10.048 -1.112 1.00 0.29 C ATOM 1698 O LEU A 124 -11.514 11.113 -1.167 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.612 10.211 -1.369 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.529 11.051 -2.253 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.972 10.930 -1.791 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -15.081 12.502 -2.245 1.00 0.49 C ATOM 0 H LEU A 124 -14.225 7.893 -2.080 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.177 10.343 -2.951 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.156 9.323 -1.046 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.373 10.782 -0.472 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.468 10.677 -3.275 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.612 11.536 -2.433 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.285 9.888 -1.846 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -17.055 11.280 -0.762 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.743 13.091 -2.880 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -15.116 12.888 -1.226 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -14.061 12.570 -2.623 1.00 0.49 H new ATOM 1714 N MET A 125 -11.810 9.068 -0.282 1.00 0.25 N ATOM 1715 CA MET A 125 -10.680 9.178 0.619 1.00 0.26 C ATOM 1716 C MET A 125 -9.378 8.905 -0.122 1.00 0.24 C ATOM 1717 O MET A 125 -8.416 9.654 0.013 1.00 0.25 O ATOM 1718 CB MET A 125 -10.830 8.208 1.794 1.00 0.35 C ATOM 1719 CG MET A 125 -12.031 8.501 2.677 1.00 0.62 C ATOM 1720 SD MET A 125 -12.636 7.040 3.546 1.00 0.54 S ATOM 1721 CE MET A 125 -13.480 7.810 4.924 1.00 0.62 C ATOM 0 H MET A 125 -12.320 8.187 -0.215 1.00 0.25 H new ATOM 0 HA MET A 125 -10.654 10.195 1.009 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.914 7.192 1.407 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.926 8.244 2.402 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.762 9.266 3.406 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.834 8.912 2.065 1.00 0.62 H new ATOM 0 HE1 MET A 125 -14.142 7.084 5.397 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.747 8.159 5.651 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.066 8.656 4.565 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.365 7.842 -0.921 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.177 7.435 -1.664 1.00 0.27 C ATOM 1733 C ALA A 126 -7.642 8.566 -2.536 1.00 0.25 C ATOM 1734 O ALA A 126 -6.437 8.787 -2.600 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.483 6.213 -2.517 1.00 0.31 C ATOM 0 H ALA A 126 -10.175 7.240 -1.071 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.404 7.182 -0.939 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.588 5.919 -3.066 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.801 5.391 -1.875 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.280 6.451 -3.222 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.543 9.292 -3.189 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.147 10.395 -4.060 1.00 0.30 C ATOM 1743 C GLN A 127 -7.479 11.517 -3.264 1.00 0.28 C ATOM 1744 O GLN A 127 -6.596 12.211 -3.771 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.357 10.929 -4.826 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.070 11.204 -6.294 1.00 0.86 C ATOM 1747 CD GLN A 127 -9.675 10.162 -7.216 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -9.024 9.675 -8.141 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -10.930 9.816 -6.976 1.00 1.62 N ATOM 0 H GLN A 127 -9.550 9.138 -3.133 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.419 10.014 -4.776 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.172 10.209 -4.752 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.701 11.849 -4.352 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.460 12.187 -6.558 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -7.992 11.237 -6.449 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.437 10.242 -6.200 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -11.390 9.124 -7.567 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.901 11.691 -2.016 1.00 0.27 N ATOM 1759 CA ALA A 128 -7.285 12.676 -1.133 1.00 0.28 C ATOM 1760 C ALA A 128 -5.965 12.140 -0.589 1.00 0.24 C ATOM 1761 O ALA A 128 -4.982 12.874 -0.466 1.00 0.27 O ATOM 1762 CB ALA A 128 -8.228 13.035 0.008 1.00 0.32 C ATOM 0 H ALA A 128 -8.665 11.164 -1.593 1.00 0.27 H new ATOM 0 HA ALA A 128 -7.084 13.581 -1.706 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.752 13.771 0.656 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -9.149 13.452 -0.399 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.459 12.139 0.585 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.959 10.849 -0.278 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.764 10.151 0.201 1.00 0.17 C ATOM 1770 C LEU A 129 -3.647 10.240 -0.842 1.00 0.17 C ATOM 1771 O LEU A 129 -2.481 10.484 -0.516 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.102 8.673 0.450 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.607 8.293 1.855 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.506 9.370 2.434 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.351 6.971 1.788 1.00 0.33 C ATOM 0 H LEU A 129 -6.783 10.252 -0.350 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.429 10.618 1.127 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.860 8.373 -0.274 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.210 8.083 0.241 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.743 8.195 2.513 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.843 9.068 3.425 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.951 10.305 2.509 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.370 9.511 1.784 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.708 6.703 2.783 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.200 7.065 1.111 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.680 6.194 1.422 1.00 0.33 H new ATOM 1787 N GLU A 130 -4.038 10.054 -2.101 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.121 10.032 -3.242 1.00 0.22 C ATOM 1789 C GLU A 130 -2.209 11.258 -3.295 1.00 0.20 C ATOM 1790 O GLU A 130 -1.079 11.172 -3.779 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.937 9.961 -4.533 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.400 8.987 -5.564 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.088 9.150 -6.904 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.065 10.267 -7.462 1.00 1.47 O ATOM 1795 OE2 GLU A 130 -4.645 8.156 -7.416 1.00 1.27 O ATOM 0 H GLU A 130 -5.014 9.912 -2.362 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.481 9.157 -3.129 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.961 9.681 -4.286 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.977 10.955 -4.978 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.328 9.140 -5.685 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.538 7.967 -5.206 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.692 12.384 -2.778 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.980 13.646 -2.881 1.00 0.28 C ATOM 1804 C LYS A 131 -0.626 13.556 -2.204 1.00 0.25 C ATOM 1805 O LYS A 131 0.379 13.992 -2.755 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.798 14.774 -2.250 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.684 15.511 -3.240 1.00 0.80 C ATOM 1808 CD LYS A 131 -5.150 15.164 -3.036 1.00 1.18 C ATOM 1809 CE LYS A 131 -6.015 15.704 -4.161 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.431 14.635 -5.107 1.00 2.24 N ATOM 0 H LYS A 131 -3.581 12.444 -2.281 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.830 13.863 -3.939 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.420 14.360 -1.457 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.118 15.487 -1.783 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.544 16.586 -3.126 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.386 15.256 -4.257 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.263 14.082 -2.977 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.492 15.573 -2.085 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.901 16.181 -3.740 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -5.466 16.474 -4.703 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -7.275 14.944 -5.631 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.658 14.444 -5.777 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -6.651 13.768 -4.576 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.603 12.960 -1.020 1.00 0.28 N ATOM 1825 CA ILE A 132 0.623 12.882 -0.241 1.00 0.33 C ATOM 1826 C ILE A 132 1.545 11.795 -0.777 1.00 0.26 C ATOM 1827 O ILE A 132 2.761 11.850 -0.577 1.00 0.29 O ATOM 1828 CB ILE A 132 0.359 12.624 1.260 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.094 12.946 1.630 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.318 13.451 2.106 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.433 12.648 3.077 1.00 0.59 C ATOM 0 H ILE A 132 -1.415 12.526 -0.581 1.00 0.28 H new ATOM 0 HA ILE A 132 1.103 13.855 -0.339 1.00 0.33 H new ATOM 0 HB ILE A 132 0.528 11.566 1.460 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.286 14.000 1.431 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.760 12.373 0.984 1.00 0.46 H new ATOM 0 HG21 ILE A 132 1.126 13.264 3.162 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.345 13.172 1.869 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.171 14.510 1.893 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.476 12.900 3.266 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.274 11.588 3.277 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.793 13.241 3.730 1.00 0.59 H new ATOM 1843 N PHE A 133 0.970 10.818 -1.468 1.00 0.25 N ATOM 1844 CA PHE A 133 1.751 9.724 -2.019 1.00 0.28 C ATOM 1845 C PHE A 133 2.697 10.233 -3.103 1.00 0.26 C ATOM 1846 O PHE A 133 3.914 10.195 -2.942 1.00 0.28 O ATOM 1847 CB PHE A 133 0.830 8.642 -2.587 1.00 0.34 C ATOM 1848 CG PHE A 133 1.574 7.568 -3.326 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.561 6.824 -2.698 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.270 7.288 -4.648 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.228 5.823 -3.376 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.936 6.292 -5.330 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.985 5.605 -4.691 1.00 0.44 C ATOM 0 H PHE A 133 -0.031 10.763 -1.658 1.00 0.25 H new ATOM 0 HA PHE A 133 2.346 9.290 -1.215 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.264 8.190 -1.772 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.107 9.104 -3.259 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.811 7.030 -1.668 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.502 7.857 -5.151 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.948 5.210 -2.855 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.656 6.042 -6.343 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.594 4.907 -5.246 1.00 0.44 H new ATOM 1863 N LEU A 134 2.131 10.765 -4.180 1.00 0.27 N ATOM 1864 CA LEU A 134 2.927 11.214 -5.319 1.00 0.34 C ATOM 1865 C LEU A 134 3.745 12.444 -4.951 1.00 0.34 C ATOM 1866 O LEU A 134 4.758 12.745 -5.586 1.00 0.43 O ATOM 1867 CB LEU A 134 2.033 11.513 -6.530 1.00 0.42 C ATOM 1868 CG LEU A 134 0.685 12.170 -6.216 1.00 0.47 C ATOM 1869 CD1 LEU A 134 0.745 13.667 -6.473 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.422 11.531 -7.044 1.00 0.59 C ATOM 0 H LEU A 134 1.125 10.896 -4.290 1.00 0.27 H new ATOM 0 HA LEU A 134 3.611 10.409 -5.588 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.582 12.162 -7.212 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.846 10.579 -7.060 1.00 0.42 H new ATOM 0 HG LEU A 134 0.464 12.013 -5.160 1.00 0.47 H new ATOM 0 HD11 LEU A 134 -0.222 14.115 -6.244 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.511 14.114 -5.840 1.00 0.64 H new ATOM 0 HD13 LEU A 134 0.989 13.847 -7.520 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.373 12.008 -6.810 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.203 11.659 -8.104 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.483 10.468 -6.812 1.00 0.59 H new ATOM 1882 N GLN A 135 3.300 13.141 -3.918 1.00 0.29 N ATOM 1883 CA GLN A 135 3.997 14.314 -3.425 1.00 0.35 C ATOM 1884 C GLN A 135 5.329 13.912 -2.805 1.00 0.36 C ATOM 1885 O GLN A 135 6.365 14.518 -3.084 1.00 0.55 O ATOM 1886 CB GLN A 135 3.129 15.045 -2.399 1.00 0.37 C ATOM 1887 CG GLN A 135 2.591 16.376 -2.900 1.00 0.51 C ATOM 1888 CD GLN A 135 2.862 17.520 -1.943 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.998 17.742 -1.526 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.821 18.257 -1.595 1.00 1.61 N ATOM 0 H GLN A 135 2.451 12.910 -3.402 1.00 0.29 H new ATOM 0 HA GLN A 135 4.193 14.987 -4.260 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.292 14.405 -2.121 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.714 15.215 -1.495 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.041 16.603 -3.866 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.516 16.290 -3.061 1.00 0.51 H new ATOM 0 HE21 GLN A 135 0.895 18.039 -1.964 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.943 19.044 -0.958 1.00 1.61 H new ATOM 1899 N LYS A 136 5.300 12.863 -1.989 1.00 0.25 N ATOM 1900 CA LYS A 136 6.502 12.386 -1.318 1.00 0.26 C ATOM 1901 C LYS A 136 7.364 11.550 -2.263 1.00 0.23 C ATOM 1902 O LYS A 136 8.585 11.497 -2.116 1.00 0.25 O ATOM 1903 CB LYS A 136 6.133 11.568 -0.077 1.00 0.32 C ATOM 1904 CG LYS A 136 6.592 12.205 1.226 1.00 0.54 C ATOM 1905 CD LYS A 136 5.441 12.855 1.975 1.00 0.50 C ATOM 1906 CE LYS A 136 5.924 14.003 2.850 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.510 13.523 4.132 1.00 1.52 N ATOM 0 H LYS A 136 4.458 12.328 -1.777 1.00 0.25 H new ATOM 0 HA LYS A 136 7.081 13.256 -1.008 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.051 11.436 -0.047 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.573 10.575 -0.162 1.00 0.32 H new ATOM 0 HG2 LYS A 136 7.054 11.447 1.858 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.356 12.953 1.015 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.704 13.224 1.262 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.941 12.110 2.594 1.00 0.50 H new ATOM 0 HE2 LYS A 136 6.669 14.584 2.306 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.090 14.673 3.061 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.654 14.330 4.772 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.863 12.841 4.576 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 7.424 13.063 3.945 1.00 1.52 H new ATOM 1921 N VAL A 137 6.726 10.903 -3.233 1.00 0.23 N ATOM 1922 CA VAL A 137 7.438 10.104 -4.228 1.00 0.25 C ATOM 1923 C VAL A 137 8.326 10.993 -5.094 1.00 0.30 C ATOM 1924 O VAL A 137 9.423 10.603 -5.490 1.00 0.33 O ATOM 1925 CB VAL A 137 6.456 9.312 -5.123 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.172 8.673 -6.307 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.739 8.252 -4.304 1.00 0.33 C ATOM 0 H VAL A 137 5.713 10.916 -3.353 1.00 0.23 H new ATOM 0 HA VAL A 137 8.062 9.390 -3.690 1.00 0.25 H new ATOM 0 HB VAL A 137 5.722 10.014 -5.518 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.452 8.125 -6.915 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.640 9.450 -6.912 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.937 7.987 -5.943 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.051 7.701 -4.945 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.470 7.563 -3.880 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.181 8.730 -3.499 1.00 0.33 H new ATOM 1937 N ALA A 138 7.860 12.208 -5.354 1.00 0.34 N ATOM 1938 CA ALA A 138 8.629 13.171 -6.132 1.00 0.43 C ATOM 1939 C ALA A 138 9.855 13.634 -5.349 1.00 0.43 C ATOM 1940 O ALA A 138 10.764 14.261 -5.895 1.00 0.50 O ATOM 1941 CB ALA A 138 7.759 14.358 -6.512 1.00 0.50 C ATOM 0 H ALA A 138 6.953 12.550 -5.037 1.00 0.34 H new ATOM 0 HA ALA A 138 8.970 12.685 -7.046 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.347 15.069 -7.093 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.914 14.014 -7.108 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.392 14.844 -5.608 1.00 0.50 H new ATOM 1947 N GLN A 139 9.872 13.314 -4.064 1.00 0.39 N ATOM 1948 CA GLN A 139 10.983 13.669 -3.199 1.00 0.43 C ATOM 1949 C GLN A 139 11.838 12.441 -2.903 1.00 0.40 C ATOM 1950 O GLN A 139 12.830 12.519 -2.177 1.00 0.45 O ATOM 1951 CB GLN A 139 10.466 14.281 -1.895 1.00 0.45 C ATOM 1952 CG GLN A 139 9.334 15.277 -2.099 1.00 0.54 C ATOM 1953 CD GLN A 139 9.493 16.523 -1.256 1.00 1.08 C ATOM 1954 OE1 GLN A 139 8.577 16.920 -0.540 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.658 17.144 -1.326 1.00 1.56 N ATOM 0 H GLN A 139 9.122 12.805 -3.596 1.00 0.39 H new ATOM 0 HA GLN A 139 11.600 14.408 -3.711 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.122 13.481 -1.239 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.290 14.779 -1.385 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.289 15.559 -3.151 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.386 14.798 -1.856 1.00 0.54 H new ATOM 0 HE21 GLN A 139 11.393 16.782 -1.933 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.822 17.985 -0.773 1.00 1.56 H new ATOM 1964 N MET A 140 11.442 11.307 -3.469 1.00 0.35 N ATOM 1965 CA MET A 140 12.165 10.058 -3.275 1.00 0.35 C ATOM 1966 C MET A 140 13.447 10.036 -4.103 1.00 0.40 C ATOM 1967 O MET A 140 13.468 10.519 -5.236 1.00 0.48 O ATOM 1968 CB MET A 140 11.278 8.873 -3.666 1.00 0.38 C ATOM 1969 CG MET A 140 10.612 8.189 -2.487 1.00 0.66 C ATOM 1970 SD MET A 140 9.343 7.012 -2.991 1.00 0.86 S ATOM 1971 CE MET A 140 10.258 5.999 -4.151 1.00 0.67 C ATOM 0 H MET A 140 10.620 11.228 -4.068 1.00 0.35 H new ATOM 0 HA MET A 140 12.432 9.980 -2.221 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.508 9.220 -4.355 1.00 0.38 H new ATOM 0 HB3 MET A 140 11.881 8.142 -4.204 1.00 0.38 H new ATOM 0 HG2 MET A 140 11.369 7.671 -1.898 1.00 0.66 H new ATOM 0 HG3 MET A 140 10.165 8.943 -1.839 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.845 4.990 -4.158 1.00 0.67 H new ATOM 0 HE2 MET A 140 10.182 6.430 -5.149 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.305 5.960 -3.852 1.00 0.67 H new ATOM 1981 N PRO A 141 14.536 9.475 -3.551 1.00 0.42 N ATOM 1982 CA PRO A 141 15.800 9.345 -4.274 1.00 0.52 C ATOM 1983 C PRO A 141 15.712 8.254 -5.334 1.00 0.61 C ATOM 1984 O PRO A 141 15.965 7.082 -5.061 1.00 0.67 O ATOM 1985 CB PRO A 141 16.793 8.957 -3.178 1.00 0.55 C ATOM 1986 CG PRO A 141 15.978 8.266 -2.147 1.00 0.53 C ATOM 1987 CD PRO A 141 14.619 8.917 -2.186 1.00 0.46 C ATOM 0 HA PRO A 141 16.082 10.254 -4.806 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.574 8.304 -3.567 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.289 9.836 -2.765 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.906 7.199 -2.358 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.430 8.366 -1.160 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.824 8.195 -2.000 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.526 9.696 -1.429 1.00 0.46 H new ATOM 1995 N GLN A 142 15.354 8.649 -6.547 1.00 0.76 N ATOM 1996 CA GLN A 142 15.094 7.697 -7.621 1.00 0.94 C ATOM 1997 C GLN A 142 16.388 7.095 -8.166 1.00 0.93 C ATOM 1998 O GLN A 142 16.360 6.245 -9.055 1.00 1.17 O ATOM 1999 CB GLN A 142 14.299 8.367 -8.744 1.00 1.21 C ATOM 2000 CG GLN A 142 12.791 8.181 -8.612 1.00 1.60 C ATOM 2001 CD GLN A 142 12.024 9.491 -8.685 1.00 2.34 C ATOM 2002 OE1 GLN A 142 11.316 9.756 -9.660 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.151 10.319 -7.659 1.00 2.91 N ATOM 0 H GLN A 142 15.236 9.626 -6.814 1.00 0.76 H new ATOM 0 HA GLN A 142 14.502 6.881 -7.206 1.00 0.94 H new ATOM 0 HB2 GLN A 142 14.527 9.433 -8.754 1.00 1.21 H new ATOM 0 HB3 GLN A 142 14.625 7.962 -9.702 1.00 1.21 H new ATOM 0 HG2 GLN A 142 12.442 7.517 -9.403 1.00 1.60 H new ATOM 0 HG3 GLN A 142 12.572 7.690 -7.664 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.746 10.066 -6.870 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.654 11.210 -7.658 1.00 2.91 H new ATOM 2012 N GLU A 143 17.513 7.536 -7.627 1.00 0.80 N ATOM 2013 CA GLU A 143 18.803 6.988 -7.990 1.00 0.91 C ATOM 2014 C GLU A 143 19.053 5.706 -7.208 1.00 0.87 C ATOM 2015 O GLU A 143 19.592 4.733 -7.740 1.00 1.20 O ATOM 2016 CB GLU A 143 19.889 8.007 -7.676 1.00 1.04 C ATOM 2017 CG GLU A 143 19.521 9.427 -8.075 1.00 1.22 C ATOM 2018 CD GLU A 143 20.401 9.978 -9.175 1.00 1.94 C ATOM 2019 OE1 GLU A 143 21.348 9.273 -9.583 1.00 2.30 O ATOM 2020 OE2 GLU A 143 20.158 11.115 -9.633 1.00 2.70 O ATOM 0 H GLU A 143 17.555 8.280 -6.930 1.00 0.80 H new ATOM 0 HA GLU A 143 18.818 6.762 -9.056 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.102 7.982 -6.607 1.00 1.04 H new ATOM 0 HB3 GLU A 143 20.806 7.719 -8.190 1.00 1.04 H new ATOM 0 HG2 GLU A 143 18.482 9.449 -8.403 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.593 10.074 -7.201 1.00 1.22 H new ATOM 2027 N GLU A 144 18.642 5.743 -5.937 1.00 0.77 N ATOM 2028 CA GLU A 144 18.743 4.613 -5.013 1.00 0.77 C ATOM 2029 C GLU A 144 20.188 4.371 -4.571 1.00 0.82 C ATOM 2030 O GLU A 144 21.116 4.369 -5.380 1.00 1.16 O ATOM 2031 CB GLU A 144 18.147 3.338 -5.623 1.00 0.82 C ATOM 2032 CG GLU A 144 18.330 2.102 -4.755 1.00 1.04 C ATOM 2033 CD GLU A 144 17.565 2.183 -3.449 1.00 1.58 C ATOM 2034 OE1 GLU A 144 17.957 2.992 -2.583 1.00 2.34 O ATOM 2035 OE2 GLU A 144 16.564 1.445 -3.284 1.00 1.87 O ATOM 0 H GLU A 144 18.223 6.573 -5.516 1.00 0.77 H new ATOM 0 HA GLU A 144 18.161 4.872 -4.128 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.083 3.493 -5.799 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.608 3.161 -6.595 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.002 1.223 -5.309 1.00 1.04 H new ATOM 0 HG3 GLU A 144 19.390 1.967 -4.542 1.00 1.04 H new ATOM 2042 N VAL A 145 20.357 4.172 -3.272 1.00 0.63 N ATOM 2043 CA VAL A 145 21.657 3.908 -2.675 1.00 0.68 C ATOM 2044 C VAL A 145 21.495 2.889 -1.558 1.00 0.61 C ATOM 2045 O VAL A 145 20.871 3.182 -0.545 1.00 0.61 O ATOM 2046 CB VAL A 145 22.299 5.183 -2.081 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.708 4.885 -1.601 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.314 6.320 -3.090 1.00 0.88 C ATOM 0 H VAL A 145 19.591 4.189 -2.599 1.00 0.63 H new ATOM 0 HA VAL A 145 22.309 3.534 -3.464 1.00 0.68 H new ATOM 0 HB VAL A 145 21.693 5.500 -1.232 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.150 5.790 -1.185 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.675 4.112 -0.834 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.312 4.539 -2.439 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.772 7.200 -2.639 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.888 6.021 -3.967 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.292 6.555 -3.388 1.00 0.88 H new ATOM 2058 N GLU A 146 22.030 1.693 -1.742 1.00 0.66 N ATOM 2059 CA GLU A 146 21.928 0.667 -0.715 1.00 0.68 C ATOM 2060 C GLU A 146 22.652 1.110 0.553 1.00 0.72 C ATOM 2061 O GLU A 146 23.744 1.683 0.485 1.00 0.75 O ATOM 2062 CB GLU A 146 22.493 -0.654 -1.218 1.00 0.79 C ATOM 2063 CG GLU A 146 22.085 -1.842 -0.367 1.00 1.00 C ATOM 2064 CD GLU A 146 22.552 -3.155 -0.942 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.762 -3.431 -0.888 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.708 -3.911 -1.467 1.00 1.24 O ATOM 0 H GLU A 146 22.534 1.410 -2.582 1.00 0.66 H new ATOM 0 HA GLU A 146 20.874 0.520 -0.479 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.159 -0.818 -2.243 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.581 -0.590 -1.243 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.494 -1.723 0.636 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.000 -1.858 -0.269 1.00 1.00 H new ATOM 2073 N LEU A 147 22.045 0.846 1.699 1.00 0.76 N ATOM 2074 CA LEU A 147 22.567 1.328 2.965 1.00 0.86 C ATOM 2075 C LEU A 147 23.604 0.363 3.519 1.00 1.01 C ATOM 2076 O LEU A 147 23.309 -0.849 3.599 1.00 1.57 O ATOM 2077 CB LEU A 147 21.431 1.517 3.973 1.00 0.86 C ATOM 2078 CG LEU A 147 20.433 2.624 3.629 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.279 2.627 4.616 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.120 3.981 3.605 1.00 0.82 C ATOM 2081 OXT LEU A 147 24.716 0.820 3.864 1.00 1.46 O ATOM 0 H LEU A 147 21.188 0.299 1.777 1.00 0.76 H new ATOM 0 HA LEU A 147 23.047 2.291 2.793 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.888 0.576 4.065 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.865 1.732 4.950 1.00 0.86 H new ATOM 0 HG LEU A 147 20.034 2.427 2.634 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.579 3.421 4.355 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.767 1.666 4.580 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.662 2.796 5.623 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.391 4.753 3.358 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.551 4.188 4.585 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.911 3.975 2.855 1.00 0.82 H new