USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1210 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 75 LYS NZ :NH3+ -151:sc= 0.113 (180deg=-1.1) USER MOD Set 1.2: B 526 CYS SG : rot -72:sc= -0.968! USER MOD Set 2.1: A 81 SER OG : rot -18:sc= 0.245 USER MOD Set 2.2: A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 5 THR OG1 : rot -163:sc= 1.05 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.33 K(o=0.72,f=-5.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= -1.77 (180deg=-2.31!) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.361 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -110:sc= -0.382 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0495) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.298 USER MOD Single : A 36 MET CE :methyl 178:sc= -0.844 (180deg=-0.866) USER MOD Single : A 41 GLN : amide:sc= -2.98 X(o=-3,f=-3.5!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.378 F(o=-1.3,f=-0.38) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.563 F(o=0,f=0.56) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 62 THR OG1 : rot 114:sc= 0.566 USER MOD Single : A 70 THR OG1 : rot -0:sc= -0.902 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -118:sc= -0.0771 (180deg=-3.43!) USER MOD Single : A 76 MET CE :methyl -161:sc= 0 (180deg=-0.00394) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= -0.281 (180deg=-0.475) USER MOD Single : A 97 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.026) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.113 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -165:sc=-0.00742 (180deg=-0.114) USER MOD Single : A 110 THR OG1 : rot 85:sc= 0.769 USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= 0.482 (180deg=0.328) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.783 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.56! C(o=-1.6!,f=-4.8!) USER MOD Single : A 137 ASN : amide:sc= -1.98 K(o=-2,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -115:sc= -2.02 (180deg=-6.22!) USER MOD Single : A 146 THR OG1 : rot 158:sc= -2.19! USER MOD Single : A 148 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0439) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 527 MET CE :methyl 176:sc= -1.62! (180deg=-1.66!) USER MOD Single : B 529 MET CE :methyl -172:sc= -0.938 (180deg=-0.997) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 3.952 -16.058 6.570 1.00 1.73 N ATOM 62 CA THR A 5 5.109 -15.168 6.529 1.00 2.05 C ATOM 63 C THR A 5 4.849 -13.951 7.426 1.00 1.66 C ATOM 64 O THR A 5 3.776 -13.839 8.023 1.00 1.15 O ATOM 65 CB THR A 5 5.408 -14.706 5.084 1.00 2.63 C ATOM 66 OG1 THR A 5 4.997 -15.708 4.143 1.00 3.14 O ATOM 67 CG2 THR A 5 6.894 -14.414 4.885 1.00 3.26 C ATOM 0 HA THR A 5 5.979 -15.714 6.893 1.00 2.05 H new ATOM 0 HB THR A 5 4.846 -13.787 4.915 1.00 2.63 H new ATOM 0 HG1 THR A 5 5.422 -15.537 3.277 1.00 3.14 H new ATOM 0 HG21 THR A 5 7.067 -14.092 3.858 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.205 -13.625 5.570 1.00 3.26 H new ATOM 0 HG23 THR A 5 7.472 -15.316 5.085 1.00 3.26 H new ATOM 75 N GLU A 6 5.843 -13.069 7.572 1.00 2.22 N ATOM 76 CA GLU A 6 5.674 -11.884 8.397 1.00 2.15 C ATOM 77 C GLU A 6 4.995 -10.712 7.664 1.00 1.73 C ATOM 78 O GLU A 6 3.939 -10.239 8.096 1.00 1.38 O ATOM 79 CB GLU A 6 7.029 -11.440 8.958 1.00 2.80 C ATOM 80 CG GLU A 6 7.544 -12.313 10.094 1.00 3.25 C ATOM 81 CD GLU A 6 8.885 -11.847 10.625 1.00 3.82 C ATOM 82 OE1 GLU A 6 8.898 -11.020 11.560 1.00 4.39 O ATOM 83 OE2 GLU A 6 9.923 -12.310 10.106 1.00 4.09 O ATOM 0 H GLU A 6 6.759 -13.157 7.133 1.00 2.22 H new ATOM 0 HA GLU A 6 5.003 -12.166 9.209 1.00 2.15 H new ATOM 0 HB2 GLU A 6 7.762 -11.440 8.152 1.00 2.80 H new ATOM 0 HB3 GLU A 6 6.945 -10.413 9.312 1.00 2.80 H new ATOM 0 HG2 GLU A 6 6.816 -12.314 10.906 1.00 3.25 H new ATOM 0 HG3 GLU A 6 7.633 -13.342 9.745 1.00 3.25 H new ATOM 90 N GLU A 7 5.608 -10.254 6.559 1.00 1.90 N ATOM 91 CA GLU A 7 5.094 -9.127 5.780 1.00 1.65 C ATOM 92 C GLU A 7 4.136 -9.523 4.671 1.00 1.44 C ATOM 93 O GLU A 7 3.161 -8.811 4.425 1.00 1.23 O ATOM 94 CB GLU A 7 6.245 -8.294 5.205 1.00 2.06 C ATOM 95 CG GLU A 7 7.013 -7.498 6.251 1.00 2.28 C ATOM 96 CD GLU A 7 8.163 -6.711 5.655 1.00 2.65 C ATOM 97 OE1 GLU A 7 7.943 -5.547 5.258 1.00 3.11 O ATOM 98 OE2 GLU A 7 9.284 -7.257 5.586 1.00 2.91 O ATOM 0 H GLU A 7 6.469 -10.656 6.187 1.00 1.90 H new ATOM 0 HA GLU A 7 4.516 -8.528 6.484 1.00 1.65 H new ATOM 0 HB2 GLU A 7 6.937 -8.958 4.687 1.00 2.06 H new ATOM 0 HB3 GLU A 7 5.846 -7.606 4.460 1.00 2.06 H new ATOM 0 HG2 GLU A 7 6.331 -6.813 6.754 1.00 2.28 H new ATOM 0 HG3 GLU A 7 7.398 -8.179 7.010 1.00 2.28 H new ATOM 105 N GLN A 8 4.417 -10.644 3.991 1.00 1.67 N ATOM 106 CA GLN A 8 3.573 -11.125 2.878 1.00 1.66 C ATOM 107 C GLN A 8 2.107 -11.254 3.303 1.00 1.23 C ATOM 108 O GLN A 8 1.197 -11.068 2.493 1.00 1.28 O ATOM 109 CB GLN A 8 4.082 -12.474 2.348 1.00 1.98 C ATOM 110 CG GLN A 8 5.573 -12.499 2.031 1.00 2.48 C ATOM 111 CD GLN A 8 5.992 -13.754 1.290 1.00 2.88 C ATOM 112 OE1 GLN A 8 6.349 -14.761 1.901 1.00 3.21 O ATOM 113 NE2 GLN A 8 5.950 -13.699 -0.036 1.00 3.41 N ATOM 0 H GLN A 8 5.222 -11.238 4.190 1.00 1.67 H new ATOM 0 HA GLN A 8 3.636 -10.385 2.081 1.00 1.66 H new ATOM 0 HB2 GLN A 8 3.866 -13.246 3.086 1.00 1.98 H new ATOM 0 HB3 GLN A 8 3.526 -12.730 1.446 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.828 -11.625 1.431 1.00 2.48 H new ATOM 0 HG3 GLN A 8 6.139 -12.424 2.959 1.00 2.48 H new ATOM 0 HE21 GLN A 8 5.648 -12.843 -0.502 1.00 3.41 H new ATOM 0 HE22 GLN A 8 6.220 -14.512 -0.589 1.00 3.41 H new ATOM 122 N ILE A 9 1.905 -11.575 4.587 1.00 0.97 N ATOM 123 CA ILE A 9 0.567 -11.718 5.171 1.00 0.68 C ATOM 124 C ILE A 9 0.056 -10.383 5.678 1.00 0.57 C ATOM 125 O ILE A 9 -1.150 -10.167 5.762 1.00 0.67 O ATOM 126 CB ILE A 9 0.521 -12.767 6.317 1.00 0.76 C ATOM 127 CG1 ILE A 9 1.670 -13.787 6.175 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.841 -13.467 6.358 1.00 1.14 C ATOM 129 CD1 ILE A 9 1.750 -14.498 4.831 1.00 2.46 C ATOM 0 H ILE A 9 2.663 -11.742 5.248 1.00 0.97 H new ATOM 0 HA ILE A 9 -0.081 -12.077 4.371 1.00 0.68 H new ATOM 0 HB ILE A 9 0.656 -12.244 7.264 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.614 -13.272 6.351 1.00 1.22 H new ATOM 0 HG13 ILE A 9 1.566 -14.538 6.958 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.851 -14.197 7.167 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.625 -12.728 6.526 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -1.018 -13.975 5.410 1.00 1.14 H new ATOM 0 HD11 ILE A 9 2.591 -15.192 4.836 1.00 2.46 H new ATOM 0 HD12 ILE A 9 0.826 -15.049 4.655 1.00 2.46 H new ATOM 0 HD13 ILE A 9 1.891 -13.763 4.038 1.00 2.46 H new ATOM 141 N ALA A 10 0.992 -9.501 6.031 1.00 0.59 N ATOM 142 CA ALA A 10 0.649 -8.158 6.515 1.00 0.64 C ATOM 143 C ALA A 10 0.256 -7.227 5.379 1.00 0.58 C ATOM 144 O ALA A 10 -0.611 -6.371 5.548 1.00 0.70 O ATOM 145 CB ALA A 10 1.827 -7.523 7.218 1.00 0.80 C ATOM 0 H ALA A 10 1.994 -9.690 5.992 1.00 0.59 H new ATOM 0 HA ALA A 10 -0.191 -8.289 7.197 1.00 0.64 H new ATOM 0 HB1 ALA A 10 1.549 -6.529 7.568 1.00 0.80 H new ATOM 0 HB2 ALA A 10 2.118 -8.139 8.069 1.00 0.80 H new ATOM 0 HB3 ALA A 10 2.664 -7.443 6.525 1.00 0.80 H new ATOM 151 N GLU A 11 0.874 -7.444 4.215 1.00 0.50 N ATOM 152 CA GLU A 11 0.678 -6.585 3.061 1.00 0.51 C ATOM 153 C GLU A 11 -0.506 -7.073 2.233 1.00 0.49 C ATOM 154 O GLU A 11 -1.439 -6.313 1.974 1.00 0.50 O ATOM 155 CB GLU A 11 1.961 -6.518 2.205 1.00 0.59 C ATOM 156 CG GLU A 11 1.925 -5.470 1.086 1.00 0.64 C ATOM 157 CD GLU A 11 1.428 -6.037 -0.231 1.00 0.88 C ATOM 158 OE1 GLU A 11 2.263 -6.525 -1.020 1.00 1.48 O ATOM 159 OE2 GLU A 11 0.204 -5.990 -0.474 1.00 1.48 O ATOM 0 H GLU A 11 1.519 -8.217 4.054 1.00 0.50 H new ATOM 0 HA GLU A 11 0.458 -5.577 3.412 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.807 -6.305 2.858 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.139 -7.498 1.762 1.00 0.59 H new ATOM 0 HG2 GLU A 11 1.281 -4.644 1.388 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.925 -5.059 0.946 1.00 0.64 H new ATOM 166 N PHE A 12 -0.450 -8.359 1.830 1.00 0.52 N ATOM 167 CA PHE A 12 -1.504 -8.979 1.022 1.00 0.53 C ATOM 168 C PHE A 12 -2.844 -8.907 1.741 1.00 0.49 C ATOM 169 O PHE A 12 -3.872 -8.700 1.096 1.00 0.54 O ATOM 170 CB PHE A 12 -1.114 -10.437 0.639 1.00 0.63 C ATOM 171 CG PHE A 12 -2.020 -11.535 1.167 1.00 1.22 C ATOM 172 CD1 PHE A 12 -1.918 -11.959 2.480 1.00 2.05 C ATOM 173 CD2 PHE A 12 -2.963 -12.139 0.347 1.00 2.14 C ATOM 174 CE1 PHE A 12 -2.735 -12.958 2.971 1.00 3.03 C ATOM 175 CE2 PHE A 12 -3.785 -13.140 0.834 1.00 3.14 C ATOM 176 CZ PHE A 12 -3.671 -13.548 2.148 1.00 3.44 C ATOM 0 H PHE A 12 0.322 -8.986 2.056 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.611 -8.421 0.092 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.086 -10.510 -0.448 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.102 -10.626 0.997 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -1.188 -11.501 3.131 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -3.056 -11.824 -0.682 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -2.641 -13.277 3.999 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -4.515 -13.602 0.186 1.00 3.14 H new ATOM 0 HZ PHE A 12 -4.313 -14.327 2.530 1.00 3.44 H new ATOM 186 N LYS A 13 -2.829 -9.095 3.076 1.00 0.47 N ATOM 187 CA LYS A 13 -4.059 -9.004 3.860 1.00 0.48 C ATOM 188 C LYS A 13 -4.750 -7.679 3.718 1.00 0.48 C ATOM 189 O LYS A 13 -5.940 -7.609 3.411 1.00 0.52 O ATOM 190 CB LYS A 13 -3.811 -9.178 5.352 1.00 0.51 C ATOM 191 CG LYS A 13 -5.057 -9.598 6.098 1.00 0.57 C ATOM 192 CD LYS A 13 -5.493 -10.984 5.648 1.00 0.60 C ATOM 193 CE LYS A 13 -6.998 -11.169 5.761 1.00 0.66 C ATOM 194 NZ LYS A 13 -7.421 -12.537 5.355 1.00 1.21 N ATOM 0 H LYS A 13 -1.991 -9.307 3.618 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.679 -9.808 3.463 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.031 -9.924 5.503 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -3.440 -8.241 5.768 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -4.865 -9.599 7.171 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -5.857 -8.880 5.918 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -5.184 -11.144 4.615 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -4.988 -11.738 6.252 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -7.311 -10.982 6.788 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -7.502 -10.432 5.136 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -8.453 -12.623 5.446 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -7.146 -12.707 4.367 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.960 -13.239 5.968 1.00 1.21 H new ATOM 208 N GLU A 14 -4.003 -6.639 3.994 1.00 0.47 N ATOM 209 CA GLU A 14 -4.548 -5.325 3.953 1.00 0.49 C ATOM 210 C GLU A 14 -4.809 -4.897 2.520 1.00 0.49 C ATOM 211 O GLU A 14 -5.708 -4.096 2.246 1.00 0.54 O ATOM 212 CB GLU A 14 -3.615 -4.343 4.640 1.00 0.50 C ATOM 213 CG GLU A 14 -3.943 -4.072 6.106 1.00 0.52 C ATOM 214 CD GLU A 14 -3.501 -5.192 7.033 1.00 1.25 C ATOM 215 OE1 GLU A 14 -2.350 -5.144 7.516 1.00 1.99 O ATOM 216 OE2 GLU A 14 -4.306 -6.115 7.275 1.00 1.95 O ATOM 0 H GLU A 14 -3.016 -6.687 4.248 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.499 -5.331 4.486 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.596 -4.724 4.574 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -3.638 -3.399 4.096 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -3.463 -3.143 6.414 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -5.018 -3.925 6.210 1.00 0.52 H new ATOM 223 N ALA A 15 -3.996 -5.454 1.617 1.00 0.46 N ATOM 224 CA ALA A 15 -4.125 -5.198 0.197 1.00 0.48 C ATOM 225 C ALA A 15 -5.175 -6.116 -0.422 1.00 0.50 C ATOM 226 O ALA A 15 -5.421 -6.116 -1.633 1.00 0.55 O ATOM 227 CB ALA A 15 -2.781 -5.316 -0.511 1.00 0.50 C ATOM 0 H ALA A 15 -3.236 -6.091 1.858 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.465 -4.171 0.065 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -2.912 -5.118 -1.575 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.083 -4.592 -0.090 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.385 -6.322 -0.375 1.00 0.50 H new ATOM 233 N PHE A 16 -5.785 -6.879 0.472 1.00 0.49 N ATOM 234 CA PHE A 16 -6.856 -7.825 0.154 1.00 0.53 C ATOM 235 C PHE A 16 -8.188 -7.077 0.192 1.00 0.57 C ATOM 236 O PHE A 16 -9.067 -7.310 -0.636 1.00 0.60 O ATOM 237 CB PHE A 16 -6.869 -9.015 1.138 1.00 0.55 C ATOM 238 CG PHE A 16 -7.696 -10.188 0.678 1.00 0.56 C ATOM 239 CD1 PHE A 16 -7.134 -11.192 -0.094 1.00 1.27 C ATOM 240 CD2 PHE A 16 -9.036 -10.281 1.020 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.894 -12.268 -0.515 1.00 1.31 C ATOM 242 CE2 PHE A 16 -9.800 -11.353 0.601 1.00 1.27 C ATOM 243 CZ PHE A 16 -9.228 -12.348 -0.167 1.00 0.62 C ATOM 0 H PHE A 16 -5.547 -6.861 1.464 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.688 -8.238 -0.841 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.844 -9.349 1.300 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.249 -8.672 2.100 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -6.091 -11.134 -0.370 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -9.488 -9.506 1.621 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -7.445 -13.045 -1.115 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.843 -11.413 0.874 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.823 -13.187 -0.495 1.00 0.62 H new ATOM 253 N SER A 17 -8.303 -6.163 1.175 1.00 0.61 N ATOM 254 CA SER A 17 -9.501 -5.338 1.353 1.00 0.67 C ATOM 255 C SER A 17 -9.497 -4.127 0.415 1.00 0.74 C ATOM 256 O SER A 17 -10.530 -3.477 0.227 1.00 0.78 O ATOM 257 CB SER A 17 -9.614 -4.874 2.807 1.00 0.74 C ATOM 258 OG SER A 17 -9.701 -5.979 3.690 1.00 1.41 O ATOM 0 H SER A 17 -7.570 -5.981 1.861 1.00 0.61 H new ATOM 0 HA SER A 17 -10.365 -5.953 1.103 1.00 0.67 H new ATOM 0 HB2 SER A 17 -8.748 -4.265 3.066 1.00 0.74 H new ATOM 0 HB3 SER A 17 -10.494 -4.242 2.923 1.00 0.74 H new ATOM 0 HG SER A 17 -9.771 -5.656 4.613 1.00 1.41 H new ATOM 264 N LEU A 18 -8.322 -3.835 -0.169 1.00 0.79 N ATOM 265 CA LEU A 18 -8.147 -2.694 -1.092 1.00 0.91 C ATOM 266 C LEU A 18 -9.066 -2.769 -2.324 1.00 0.81 C ATOM 267 O LEU A 18 -9.649 -1.758 -2.718 1.00 0.79 O ATOM 268 CB LEU A 18 -6.688 -2.601 -1.590 1.00 1.26 C ATOM 269 CG LEU A 18 -5.670 -1.827 -0.724 1.00 0.69 C ATOM 270 CD1 LEU A 18 -4.306 -1.859 -1.397 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.073 -0.373 -0.505 1.00 0.83 C ATOM 0 H LEU A 18 -7.471 -4.377 -0.018 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.413 -1.810 -0.513 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.314 -3.617 -1.716 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.702 -2.141 -2.578 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.640 -2.316 0.250 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -3.586 -1.313 -0.787 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -3.978 -2.893 -1.507 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -4.375 -1.394 -2.380 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.323 0.124 0.110 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -6.147 0.133 -1.468 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.038 -0.335 -0.001 1.00 0.83 H new ATOM 283 N PHE A 19 -9.189 -3.969 -2.912 1.00 0.84 N ATOM 284 CA PHE A 19 -9.995 -4.173 -4.132 1.00 0.86 C ATOM 285 C PHE A 19 -11.267 -4.972 -3.889 1.00 0.75 C ATOM 286 O PHE A 19 -12.235 -4.848 -4.643 1.00 0.79 O ATOM 287 CB PHE A 19 -9.234 -4.979 -5.187 1.00 1.02 C ATOM 288 CG PHE A 19 -7.740 -4.739 -5.304 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.864 -5.100 -4.285 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.217 -4.172 -6.452 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.504 -4.891 -4.413 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.858 -3.961 -6.584 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.001 -4.319 -5.564 1.00 1.28 C ATOM 0 H PHE A 19 -8.741 -4.816 -2.564 1.00 0.84 H new ATOM 0 HA PHE A 19 -10.225 -3.160 -4.461 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -9.390 -6.038 -4.980 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.685 -4.774 -6.158 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.252 -5.549 -3.383 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.880 -3.890 -7.256 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.836 -5.175 -3.614 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.466 -3.515 -7.486 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.939 -4.152 -5.666 1.00 1.28 H new ATOM 303 N ASP A 20 -11.244 -5.813 -2.860 1.00 0.68 N ATOM 304 CA ASP A 20 -12.351 -6.718 -2.570 1.00 0.63 C ATOM 305 C ASP A 20 -13.632 -6.011 -2.039 1.00 0.66 C ATOM 306 O ASP A 20 -13.908 -6.013 -0.832 1.00 0.74 O ATOM 307 CB ASP A 20 -11.843 -7.813 -1.608 1.00 0.60 C ATOM 308 CG ASP A 20 -12.815 -8.949 -1.382 1.00 1.67 C ATOM 309 OD1 ASP A 20 -13.525 -8.921 -0.355 1.00 2.45 O ATOM 310 OD2 ASP A 20 -12.855 -9.870 -2.223 1.00 2.31 O ATOM 0 H ASP A 20 -10.463 -5.887 -2.208 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.676 -7.166 -3.509 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -10.912 -8.221 -2.001 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -11.609 -7.355 -0.647 1.00 0.60 H new ATOM 315 N LYS A 21 -14.391 -5.386 -2.964 1.00 0.73 N ATOM 316 CA LYS A 21 -15.678 -4.725 -2.637 1.00 0.80 C ATOM 317 C LYS A 21 -16.802 -5.731 -2.721 1.00 0.82 C ATOM 318 O LYS A 21 -17.734 -5.736 -1.912 1.00 0.91 O ATOM 319 CB LYS A 21 -15.981 -3.566 -3.579 1.00 1.01 C ATOM 320 CG LYS A 21 -15.155 -2.341 -3.284 1.00 0.97 C ATOM 321 CD LYS A 21 -13.772 -2.477 -3.882 1.00 0.95 C ATOM 322 CE LYS A 21 -12.703 -2.013 -2.892 1.00 1.05 C ATOM 323 NZ LYS A 21 -12.492 -2.994 -1.788 1.00 1.63 N ATOM 0 H LYS A 21 -14.135 -5.324 -3.949 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.593 -4.328 -1.625 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.799 -3.882 -4.606 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.038 -3.312 -3.506 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.647 -1.457 -3.689 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -15.079 -2.197 -2.206 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.591 -3.516 -4.159 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -13.707 -1.888 -4.797 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -11.763 -1.857 -3.422 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.994 -1.051 -2.470 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -12.413 -2.487 -0.883 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.298 -3.650 -1.748 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -11.618 -3.530 -1.962 1.00 1.63 H new ATOM 337 N ASP A 22 -16.674 -6.582 -3.735 1.00 0.85 N ATOM 338 CA ASP A 22 -17.636 -7.667 -4.001 1.00 0.97 C ATOM 339 C ASP A 22 -17.435 -8.762 -2.946 1.00 0.88 C ATOM 340 O ASP A 22 -18.385 -9.201 -2.291 1.00 1.02 O ATOM 341 CB ASP A 22 -17.443 -8.214 -5.425 1.00 1.12 C ATOM 342 CG ASP A 22 -18.636 -9.015 -5.922 1.00 1.36 C ATOM 343 OD1 ASP A 22 -19.547 -8.410 -6.525 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.657 -10.245 -5.707 1.00 1.48 O ATOM 0 H ASP A 22 -15.902 -6.545 -4.401 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.657 -7.292 -3.936 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.262 -7.382 -6.106 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.554 -8.845 -5.448 1.00 1.12 H new ATOM 349 N GLY A 23 -16.174 -9.181 -2.815 1.00 0.75 N ATOM 350 CA GLY A 23 -15.762 -10.139 -1.810 1.00 0.75 C ATOM 351 C GLY A 23 -16.129 -11.587 -2.011 1.00 0.85 C ATOM 352 O GLY A 23 -16.718 -12.215 -1.127 1.00 1.01 O ATOM 0 H GLY A 23 -15.412 -8.858 -3.411 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -14.677 -10.080 -1.719 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -16.179 -9.820 -0.855 1.00 0.75 H new ATOM 356 N ASP A 24 -15.780 -12.106 -3.176 1.00 0.82 N ATOM 357 CA ASP A 24 -15.931 -13.526 -3.482 1.00 0.95 C ATOM 358 C ASP A 24 -14.646 -14.195 -2.984 1.00 0.87 C ATOM 359 O ASP A 24 -14.498 -15.419 -2.941 1.00 0.96 O ATOM 360 CB ASP A 24 -16.043 -13.699 -4.986 1.00 1.00 C ATOM 361 CG ASP A 24 -16.579 -15.059 -5.402 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.762 -15.983 -5.601 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.814 -15.198 -5.527 1.00 1.93 O ATOM 0 H ASP A 24 -15.383 -11.558 -3.939 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.818 -13.956 -3.016 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.696 -12.923 -5.385 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -15.061 -13.552 -5.435 1.00 1.00 H new ATOM 368 N GLY A 25 -13.743 -13.290 -2.616 1.00 0.74 N ATOM 369 CA GLY A 25 -12.408 -13.589 -2.132 1.00 0.72 C ATOM 370 C GLY A 25 -11.413 -13.218 -3.204 1.00 0.65 C ATOM 371 O GLY A 25 -10.292 -13.732 -3.253 1.00 0.69 O ATOM 0 H GLY A 25 -13.934 -12.289 -2.650 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -12.204 -13.032 -1.217 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -12.323 -14.648 -1.887 1.00 0.72 H new ATOM 375 N THR A 26 -11.869 -12.300 -4.063 1.00 0.62 N ATOM 376 CA THR A 26 -11.120 -11.828 -5.205 1.00 0.58 C ATOM 377 C THR A 26 -11.010 -10.300 -5.310 1.00 0.57 C ATOM 378 O THR A 26 -11.537 -9.547 -4.489 1.00 0.64 O ATOM 379 CB THR A 26 -11.795 -12.334 -6.480 1.00 0.60 C ATOM 380 OG1 THR A 26 -13.193 -12.005 -6.461 1.00 0.63 O ATOM 381 CG2 THR A 26 -11.632 -13.834 -6.615 1.00 0.64 C ATOM 0 H THR A 26 -12.787 -11.864 -3.972 1.00 0.62 H new ATOM 0 HA THR A 26 -10.108 -12.212 -5.077 1.00 0.58 H new ATOM 0 HB THR A 26 -11.318 -11.850 -7.332 1.00 0.60 H new ATOM 0 HG1 THR A 26 -13.695 -12.680 -6.964 1.00 0.63 H new ATOM 0 HG21 THR A 26 -12.120 -14.172 -7.529 1.00 0.64 H new ATOM 0 HG22 THR A 26 -10.572 -14.082 -6.656 1.00 0.64 H new ATOM 0 HG23 THR A 26 -12.087 -14.328 -5.757 1.00 0.64 H new ATOM 389 N ILE A 27 -10.297 -9.901 -6.365 1.00 0.54 N ATOM 390 CA ILE A 27 -10.024 -8.537 -6.739 1.00 0.53 C ATOM 391 C ILE A 27 -10.656 -8.235 -8.052 1.00 0.53 C ATOM 392 O ILE A 27 -10.598 -9.033 -8.972 1.00 0.51 O ATOM 393 CB ILE A 27 -8.517 -8.344 -6.807 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.064 -8.114 -5.401 1.00 0.52 C ATOM 395 CG2 ILE A 27 -8.079 -7.203 -7.731 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.303 -9.270 -4.795 1.00 0.54 C ATOM 0 H ILE A 27 -9.876 -10.570 -7.010 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.441 -7.853 -6.000 1.00 0.53 H new ATOM 0 HB ILE A 27 -8.056 -9.229 -7.245 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.433 -7.226 -5.376 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.935 -7.903 -4.781 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.992 -7.128 -7.726 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -8.425 -7.403 -8.745 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.509 -6.265 -7.380 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.012 -9.019 -3.775 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.937 -10.157 -4.784 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.411 -9.469 -5.388 1.00 0.54 H new ATOM 408 N THR A 28 -11.196 -7.055 -8.144 1.00 0.59 N ATOM 409 CA THR A 28 -11.886 -6.662 -9.353 1.00 0.61 C ATOM 410 C THR A 28 -11.190 -5.536 -10.098 1.00 0.58 C ATOM 411 O THR A 28 -10.269 -4.885 -9.599 1.00 0.57 O ATOM 412 CB THR A 28 -13.326 -6.251 -9.030 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.748 -6.816 -7.779 1.00 0.75 O ATOM 414 CG2 THR A 28 -14.301 -6.675 -10.127 1.00 0.73 C ATOM 0 H THR A 28 -11.177 -6.349 -7.408 1.00 0.59 H new ATOM 0 HA THR A 28 -11.880 -7.532 -10.009 1.00 0.61 H new ATOM 0 HB THR A 28 -13.335 -5.163 -8.963 1.00 0.69 H new ATOM 0 HG1 THR A 28 -14.669 -6.541 -7.590 1.00 0.75 H new ATOM 0 HG21 THR A 28 -15.310 -6.364 -9.857 1.00 0.73 H new ATOM 0 HG22 THR A 28 -14.016 -6.205 -11.068 1.00 0.73 H new ATOM 0 HG23 THR A 28 -14.273 -7.759 -10.239 1.00 0.73 H new ATOM 422 N THR A 29 -11.685 -5.350 -11.314 1.00 0.58 N ATOM 423 CA THR A 29 -11.205 -4.345 -12.258 1.00 0.57 C ATOM 424 C THR A 29 -11.731 -2.940 -11.914 1.00 0.62 C ATOM 425 O THR A 29 -11.077 -1.945 -12.234 1.00 0.64 O ATOM 426 CB THR A 29 -11.568 -4.706 -13.746 1.00 0.58 C ATOM 427 OG1 THR A 29 -12.496 -3.764 -14.304 1.00 0.66 O ATOM 428 CG2 THR A 29 -12.144 -6.106 -13.898 1.00 0.59 C ATOM 0 H THR A 29 -12.454 -5.909 -11.683 1.00 0.58 H new ATOM 0 HA THR A 29 -10.119 -4.339 -12.167 1.00 0.57 H new ATOM 0 HB THR A 29 -10.624 -4.665 -14.289 1.00 0.58 H new ATOM 0 HG1 THR A 29 -13.367 -4.196 -14.426 1.00 0.66 H new ATOM 0 HG21 THR A 29 -12.373 -6.293 -14.947 1.00 0.59 H new ATOM 0 HG22 THR A 29 -11.416 -6.839 -13.549 1.00 0.59 H new ATOM 0 HG23 THR A 29 -13.056 -6.190 -13.307 1.00 0.59 H new ATOM 436 N LYS A 30 -12.906 -2.857 -11.251 1.00 0.77 N ATOM 437 CA LYS A 30 -13.485 -1.554 -10.877 1.00 0.85 C ATOM 438 C LYS A 30 -12.573 -0.813 -9.894 1.00 0.84 C ATOM 439 O LYS A 30 -12.364 0.396 -10.019 1.00 0.93 O ATOM 440 CB LYS A 30 -14.927 -1.692 -10.314 1.00 1.01 C ATOM 441 CG LYS A 30 -15.073 -2.260 -8.881 1.00 1.06 C ATOM 442 CD LYS A 30 -15.582 -3.698 -8.878 1.00 1.10 C ATOM 443 CE LYS A 30 -17.105 -3.766 -8.840 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.599 -5.171 -8.840 1.00 1.66 N ATOM 0 H LYS A 30 -13.462 -3.664 -10.969 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.558 -0.960 -11.788 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.395 -0.708 -10.337 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.495 -2.331 -10.991 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.108 -2.217 -8.375 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.759 -1.633 -8.312 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.218 -4.213 -9.767 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -15.174 -4.225 -8.015 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -17.469 -3.253 -7.950 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -17.513 -3.238 -9.701 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -18.633 -5.175 -8.728 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -17.346 -5.628 -9.739 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -17.164 -5.692 -8.052 1.00 1.66 H new ATOM 458 N GLU A 31 -12.040 -1.566 -8.927 1.00 0.82 N ATOM 459 CA GLU A 31 -11.152 -1.027 -7.921 1.00 0.87 C ATOM 460 C GLU A 31 -9.685 -1.037 -8.345 1.00 0.78 C ATOM 461 O GLU A 31 -8.916 -0.195 -7.890 1.00 0.81 O ATOM 462 CB GLU A 31 -11.307 -1.776 -6.611 1.00 1.02 C ATOM 463 CG GLU A 31 -10.673 -1.052 -5.423 1.00 1.82 C ATOM 464 CD GLU A 31 -11.411 0.213 -4.990 1.00 2.69 C ATOM 465 OE1 GLU A 31 -12.663 0.215 -4.991 1.00 3.34 O ATOM 466 OE2 GLU A 31 -10.730 1.197 -4.635 1.00 3.27 O ATOM 0 H GLU A 31 -12.219 -2.565 -8.829 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.444 0.015 -7.790 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -12.368 -1.929 -6.411 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.856 -2.763 -6.709 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.626 -1.738 -4.578 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -9.646 -0.790 -5.678 1.00 1.82 H new ATOM 473 N LEU A 32 -9.314 -1.985 -9.216 1.00 0.68 N ATOM 474 CA LEU A 32 -7.926 -2.152 -9.687 1.00 0.60 C ATOM 475 C LEU A 32 -7.266 -0.840 -10.070 1.00 0.66 C ATOM 476 O LEU A 32 -6.094 -0.646 -9.756 1.00 0.72 O ATOM 477 CB LEU A 32 -7.907 -3.196 -10.826 1.00 0.54 C ATOM 478 CG LEU A 32 -6.543 -3.652 -11.402 1.00 0.46 C ATOM 479 CD1 LEU A 32 -5.444 -3.736 -10.344 1.00 0.49 C ATOM 480 CD2 LEU A 32 -6.700 -4.999 -12.074 1.00 0.44 C ATOM 0 H LEU A 32 -9.966 -2.660 -9.616 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.318 -2.524 -8.862 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -8.427 -4.084 -10.467 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.495 -2.794 -11.651 1.00 0.54 H new ATOM 0 HG LEU A 32 -6.235 -2.895 -12.123 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -4.514 -4.061 -10.810 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.300 -2.755 -9.891 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -5.733 -4.452 -9.575 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -5.739 -5.318 -12.479 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -7.048 -5.731 -11.345 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -7.426 -4.920 -12.883 1.00 0.44 H new ATOM 492 N GLY A 33 -8.004 0.047 -10.727 1.00 0.71 N ATOM 493 CA GLY A 33 -7.461 1.353 -11.057 1.00 0.80 C ATOM 494 C GLY A 33 -7.610 2.304 -9.912 1.00 0.83 C ATOM 495 O GLY A 33 -6.712 3.086 -9.625 1.00 0.91 O ATOM 0 H GLY A 33 -8.963 -0.112 -11.036 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -6.407 1.256 -11.319 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -7.972 1.752 -11.934 1.00 0.80 H new ATOM 499 N THR A 34 -8.751 2.197 -9.238 1.00 0.80 N ATOM 500 CA THR A 34 -9.056 2.997 -8.056 1.00 0.84 C ATOM 501 C THR A 34 -7.953 2.829 -7.003 1.00 0.83 C ATOM 502 O THR A 34 -7.747 3.710 -6.165 1.00 0.88 O ATOM 503 CB THR A 34 -10.384 2.537 -7.440 1.00 0.87 C ATOM 504 OG1 THR A 34 -11.342 2.270 -8.472 1.00 0.89 O ATOM 505 CG2 THR A 34 -10.962 3.575 -6.478 1.00 0.96 C ATOM 0 H THR A 34 -9.495 1.549 -9.498 1.00 0.80 H new ATOM 0 HA THR A 34 -9.124 4.042 -8.359 1.00 0.84 H new ATOM 0 HB THR A 34 -10.176 1.628 -6.875 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.225 2.131 -8.071 1.00 0.89 H new ATOM 0 HG21 THR A 34 -11.902 3.206 -6.066 1.00 0.96 H new ATOM 0 HG22 THR A 34 -10.256 3.753 -5.667 1.00 0.96 H new ATOM 0 HG23 THR A 34 -11.142 4.507 -7.014 1.00 0.96 H new ATOM 513 N VAL A 35 -7.248 1.680 -7.069 1.00 0.77 N ATOM 514 CA VAL A 35 -6.155 1.386 -6.128 1.00 0.79 C ATOM 515 C VAL A 35 -4.889 2.156 -6.539 1.00 0.80 C ATOM 516 O VAL A 35 -4.364 2.997 -5.805 1.00 0.86 O ATOM 517 CB VAL A 35 -5.822 -0.133 -6.116 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.662 -0.461 -5.174 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.039 -0.937 -5.732 1.00 0.79 C ATOM 0 H VAL A 35 -7.417 0.948 -7.759 1.00 0.77 H new ATOM 0 HA VAL A 35 -6.481 1.692 -5.134 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.514 -0.402 -7.127 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.465 -1.533 -5.199 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -3.770 0.079 -5.493 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -4.923 -0.163 -4.158 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.788 -1.998 -5.729 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.373 -0.640 -4.738 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.837 -0.755 -6.452 1.00 0.79 H new ATOM 529 N MET A 36 -4.446 1.817 -7.745 1.00 0.77 N ATOM 530 CA MET A 36 -3.241 2.362 -8.400 1.00 0.81 C ATOM 531 C MET A 36 -3.284 3.858 -8.689 1.00 0.80 C ATOM 532 O MET A 36 -2.357 4.585 -8.331 1.00 0.87 O ATOM 533 CB MET A 36 -3.046 1.687 -9.765 1.00 0.87 C ATOM 534 CG MET A 36 -4.332 1.330 -10.455 1.00 0.86 C ATOM 535 SD MET A 36 -4.094 0.318 -11.932 1.00 1.10 S ATOM 536 CE MET A 36 -3.577 1.552 -13.123 1.00 1.82 C ATOM 0 H MET A 36 -4.928 1.129 -8.323 1.00 0.77 H new ATOM 0 HA MET A 36 -2.438 2.169 -7.689 1.00 0.81 H new ATOM 0 HB2 MET A 36 -2.471 2.352 -10.410 1.00 0.87 H new ATOM 0 HB3 MET A 36 -2.453 0.782 -9.631 1.00 0.87 H new ATOM 0 HG2 MET A 36 -4.975 0.795 -9.756 1.00 0.86 H new ATOM 0 HG3 MET A 36 -4.854 2.246 -10.731 1.00 0.86 H new ATOM 0 HE1 MET A 36 -3.359 1.069 -14.076 1.00 1.82 H new ATOM 0 HE2 MET A 36 -4.375 2.282 -13.260 1.00 1.82 H new ATOM 0 HE3 MET A 36 -2.682 2.057 -12.759 1.00 1.82 H new ATOM 546 N ARG A 37 -4.390 4.291 -9.313 1.00 0.79 N ATOM 547 CA ARG A 37 -4.572 5.661 -9.808 1.00 0.85 C ATOM 548 C ARG A 37 -4.125 6.773 -8.856 1.00 0.94 C ATOM 549 O ARG A 37 -3.772 7.871 -9.295 1.00 1.01 O ATOM 550 CB ARG A 37 -6.029 5.907 -10.168 1.00 0.96 C ATOM 551 CG ARG A 37 -6.434 5.355 -11.529 1.00 1.49 C ATOM 552 CD ARG A 37 -7.874 5.711 -11.877 1.00 1.68 C ATOM 553 NE ARG A 37 -8.846 4.932 -11.098 1.00 2.53 N ATOM 554 CZ ARG A 37 -10.161 5.190 -11.040 1.00 2.93 C ATOM 555 NH1 ARG A 37 -10.694 6.210 -11.712 1.00 2.47 N ATOM 556 NH2 ARG A 37 -10.947 4.418 -10.302 1.00 3.94 N ATOM 0 H ARG A 37 -5.194 3.689 -9.490 1.00 0.79 H new ATOM 0 HA ARG A 37 -3.919 5.715 -10.679 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -6.662 5.458 -9.403 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -6.220 6.980 -10.151 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -5.766 5.750 -12.295 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -6.316 4.271 -11.532 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -8.036 6.774 -11.698 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -8.042 5.538 -12.940 1.00 1.68 H new ATOM 0 HE ARG A 37 -8.496 4.138 -10.563 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -10.100 6.811 -12.283 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -11.696 6.390 -11.655 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -10.551 3.634 -9.783 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -11.948 4.608 -10.253 1.00 3.94 H new ATOM 570 N SER A 38 -4.157 6.472 -7.565 1.00 1.00 N ATOM 571 CA SER A 38 -3.757 7.413 -6.496 1.00 1.16 C ATOM 572 C SER A 38 -2.334 7.995 -6.672 1.00 1.17 C ATOM 573 O SER A 38 -1.934 8.887 -5.916 1.00 1.33 O ATOM 574 CB SER A 38 -3.866 6.721 -5.135 1.00 1.37 C ATOM 575 OG SER A 38 -5.192 6.288 -4.886 1.00 1.82 O ATOM 0 H SER A 38 -4.462 5.564 -7.214 1.00 1.00 H new ATOM 0 HA SER A 38 -4.443 8.258 -6.559 1.00 1.16 H new ATOM 0 HB2 SER A 38 -3.190 5.867 -5.103 1.00 1.37 H new ATOM 0 HB3 SER A 38 -3.551 7.407 -4.349 1.00 1.37 H new ATOM 0 HG SER A 38 -5.234 5.848 -4.011 1.00 1.82 H new ATOM 581 N LEU A 39 -1.584 7.495 -7.668 1.00 1.11 N ATOM 582 CA LEU A 39 -0.230 7.971 -7.943 1.00 1.26 C ATOM 583 C LEU A 39 -0.217 9.109 -8.984 1.00 1.23 C ATOM 584 O LEU A 39 0.827 9.731 -9.207 1.00 1.39 O ATOM 585 CB LEU A 39 0.709 6.790 -8.349 1.00 1.42 C ATOM 586 CG LEU A 39 0.631 6.185 -9.788 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.799 6.007 -10.287 1.00 1.18 C ATOM 588 CD2 LEU A 39 1.447 7.012 -10.777 1.00 2.07 C ATOM 0 H LEU A 39 -1.901 6.757 -8.296 1.00 1.11 H new ATOM 0 HA LEU A 39 0.162 8.396 -7.019 1.00 1.26 H new ATOM 0 HB2 LEU A 39 1.735 7.124 -8.194 1.00 1.42 H new ATOM 0 HB3 LEU A 39 0.529 5.977 -7.646 1.00 1.42 H new ATOM 0 HG LEU A 39 1.065 5.187 -9.721 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -0.784 5.583 -11.291 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.337 5.335 -9.618 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -1.300 6.975 -10.309 1.00 1.18 H new ATOM 0 HD21 LEU A 39 1.374 6.568 -11.770 1.00 2.07 H new ATOM 0 HD22 LEU A 39 1.060 8.031 -10.806 1.00 2.07 H new ATOM 0 HD23 LEU A 39 2.491 7.029 -10.463 1.00 2.07 H new ATOM 600 N GLY A 40 -1.377 9.370 -9.608 1.00 1.12 N ATOM 601 CA GLY A 40 -1.480 10.431 -10.608 1.00 1.21 C ATOM 602 C GLY A 40 -1.653 9.926 -12.033 1.00 1.24 C ATOM 603 O GLY A 40 -1.400 10.666 -12.989 1.00 1.48 O ATOM 0 H GLY A 40 -2.246 8.863 -9.436 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -2.325 11.072 -10.356 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -0.584 11.050 -10.559 1.00 1.21 H new ATOM 607 N GLN A 41 -2.081 8.673 -12.169 1.00 1.05 N ATOM 608 CA GLN A 41 -2.306 8.055 -13.481 1.00 1.08 C ATOM 609 C GLN A 41 -3.797 7.778 -13.682 1.00 1.03 C ATOM 610 O GLN A 41 -4.491 7.388 -12.740 1.00 1.04 O ATOM 611 CB GLN A 41 -1.489 6.758 -13.596 1.00 1.08 C ATOM 612 CG GLN A 41 -1.079 6.383 -15.020 1.00 1.30 C ATOM 613 CD GLN A 41 -2.007 5.365 -15.651 1.00 2.18 C ATOM 614 OE1 GLN A 41 -1.838 4.159 -15.470 1.00 2.69 O ATOM 615 NE2 GLN A 41 -2.981 5.845 -16.409 1.00 3.01 N ATOM 0 H GLN A 41 -2.282 8.058 -11.381 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.977 8.741 -14.262 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -0.590 6.857 -12.988 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -2.072 5.939 -13.173 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.061 7.282 -15.636 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -0.065 5.984 -15.008 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -3.083 6.853 -16.531 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -3.629 5.207 -16.871 1.00 3.01 H new ATOM 624 N ASN A 42 -4.277 7.986 -14.915 1.00 1.26 N ATOM 625 CA ASN A 42 -5.693 7.774 -15.247 1.00 1.34 C ATOM 626 C ASN A 42 -5.848 6.911 -16.519 1.00 0.89 C ATOM 627 O ASN A 42 -5.924 7.448 -17.632 1.00 1.50 O ATOM 628 CB ASN A 42 -6.412 9.123 -15.416 1.00 2.22 C ATOM 629 CG ASN A 42 -6.576 9.866 -14.103 1.00 3.03 C ATOM 630 OD1 ASN A 42 -5.712 10.650 -13.708 1.00 3.77 O ATOM 631 ND2 ASN A 42 -7.689 9.623 -13.421 1.00 3.37 N ATOM 0 H ASN A 42 -3.706 8.301 -15.699 1.00 1.26 H new ATOM 0 HA ASN A 42 -6.155 7.234 -14.421 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -5.851 9.745 -16.113 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -7.394 8.954 -15.859 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -7.855 10.094 -12.532 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -8.378 8.965 -13.786 1.00 3.37 H new ATOM 638 N PRO A 43 -5.870 5.549 -16.380 1.00 1.06 N ATOM 639 CA PRO A 43 -6.019 4.637 -17.521 1.00 1.66 C ATOM 640 C PRO A 43 -7.485 4.309 -17.851 1.00 1.29 C ATOM 641 O PRO A 43 -8.401 4.750 -17.151 1.00 1.26 O ATOM 642 CB PRO A 43 -5.266 3.379 -17.058 1.00 2.73 C ATOM 643 CG PRO A 43 -5.154 3.460 -15.560 1.00 2.76 C ATOM 644 CD PRO A 43 -5.723 4.789 -15.118 1.00 1.85 C ATOM 0 HA PRO A 43 -5.633 5.074 -18.442 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -5.801 2.478 -17.357 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -4.278 3.330 -17.517 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -5.698 2.639 -15.093 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -4.113 3.370 -15.251 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.680 4.666 -14.612 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.057 5.297 -14.421 1.00 1.85 H new ATOM 652 N THR A 44 -7.686 3.529 -18.929 1.00 1.26 N ATOM 653 CA THR A 44 -9.009 3.110 -19.393 1.00 1.00 C ATOM 654 C THR A 44 -9.755 2.246 -18.363 1.00 0.85 C ATOM 655 O THR A 44 -9.148 1.700 -17.437 1.00 0.89 O ATOM 656 CB THR A 44 -8.888 2.316 -20.714 1.00 1.17 C ATOM 657 OG1 THR A 44 -7.615 2.551 -21.332 1.00 1.51 O ATOM 658 CG2 THR A 44 -9.980 2.720 -21.674 1.00 1.33 C ATOM 0 H THR A 44 -6.923 3.172 -19.504 1.00 1.26 H new ATOM 0 HA THR A 44 -9.584 4.023 -19.546 1.00 1.00 H new ATOM 0 HB THR A 44 -8.984 1.257 -20.476 1.00 1.17 H new ATOM 0 HG1 THR A 44 -7.556 2.039 -22.165 1.00 1.51 H new ATOM 0 HG21 THR A 44 -9.880 2.152 -22.599 1.00 1.33 H new ATOM 0 HG22 THR A 44 -10.952 2.516 -21.226 1.00 1.33 H new ATOM 0 HG23 THR A 44 -9.897 3.785 -21.892 1.00 1.33 H new ATOM 666 N GLU A 45 -11.079 2.142 -18.551 1.00 0.76 N ATOM 667 CA GLU A 45 -11.958 1.355 -17.671 1.00 0.72 C ATOM 668 C GLU A 45 -11.917 -0.118 -18.055 1.00 0.71 C ATOM 669 O GLU A 45 -12.215 -0.996 -17.244 1.00 0.70 O ATOM 670 CB GLU A 45 -13.397 1.879 -17.719 1.00 0.79 C ATOM 671 CG GLU A 45 -13.591 3.213 -17.012 1.00 0.85 C ATOM 672 CD GLU A 45 -15.024 3.704 -17.077 1.00 1.41 C ATOM 673 OE1 GLU A 45 -15.807 3.371 -16.163 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.363 4.421 -18.042 1.00 1.97 O ATOM 0 H GLU A 45 -11.571 2.601 -19.317 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.593 1.460 -16.649 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -13.701 1.983 -18.761 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -14.058 1.140 -17.267 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.292 3.114 -15.969 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -12.935 3.958 -17.463 1.00 0.85 H new ATOM 681 N ALA A 46 -11.600 -0.367 -19.321 1.00 0.75 N ATOM 682 CA ALA A 46 -11.440 -1.708 -19.829 1.00 0.78 C ATOM 683 C ALA A 46 -10.011 -2.159 -19.597 1.00 0.76 C ATOM 684 O ALA A 46 -9.713 -3.344 -19.692 1.00 0.77 O ATOM 685 CB ALA A 46 -11.821 -1.793 -21.300 1.00 0.90 C ATOM 0 H ALA A 46 -11.448 0.362 -20.018 1.00 0.75 H new ATOM 0 HA ALA A 46 -12.114 -2.376 -19.294 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -11.689 -2.816 -21.651 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -12.863 -1.498 -21.424 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -11.184 -1.125 -21.880 1.00 0.90 H new ATOM 691 N GLU A 47 -9.127 -1.180 -19.303 1.00 0.77 N ATOM 692 CA GLU A 47 -7.707 -1.460 -19.020 1.00 0.81 C ATOM 693 C GLU A 47 -7.523 -2.286 -17.761 1.00 0.68 C ATOM 694 O GLU A 47 -6.492 -2.918 -17.592 1.00 0.62 O ATOM 695 CB GLU A 47 -6.894 -0.165 -18.929 1.00 0.95 C ATOM 696 CG GLU A 47 -6.084 0.145 -20.183 1.00 1.30 C ATOM 697 CD GLU A 47 -4.783 -0.635 -20.257 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.760 -0.134 -19.744 1.00 2.16 O ATOM 699 OE2 GLU A 47 -4.788 -1.746 -20.827 1.00 2.13 O ATOM 0 H GLU A 47 -9.374 -0.191 -19.256 1.00 0.77 H new ATOM 0 HA GLU A 47 -7.334 -2.049 -19.858 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -7.572 0.665 -18.732 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.216 -0.232 -18.078 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -6.687 -0.080 -21.063 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -5.864 1.212 -20.212 1.00 1.30 H new ATOM 706 N LEU A 48 -8.526 -2.256 -16.892 1.00 0.66 N ATOM 707 CA LEU A 48 -8.542 -3.037 -15.658 1.00 0.59 C ATOM 708 C LEU A 48 -9.129 -4.397 -15.969 1.00 0.55 C ATOM 709 O LEU A 48 -8.638 -5.417 -15.480 1.00 0.56 O ATOM 710 CB LEU A 48 -9.324 -2.290 -14.604 1.00 0.61 C ATOM 711 CG LEU A 48 -9.361 -0.783 -14.815 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.774 -0.342 -14.916 1.00 0.87 C ATOM 713 CD2 LEU A 48 -8.634 -0.049 -13.720 1.00 1.24 C ATOM 0 H LEU A 48 -9.360 -1.684 -17.024 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.537 -3.184 -15.262 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.346 -2.670 -14.587 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.889 -2.499 -13.627 1.00 0.61 H new ATOM 0 HG LEU A 48 -8.843 -0.544 -15.744 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.808 0.737 -15.067 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -11.252 -0.842 -15.758 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.301 -0.596 -13.997 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -8.683 1.024 -13.906 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -9.100 -0.272 -12.760 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -7.591 -0.366 -13.699 1.00 1.24 H new ATOM 725 N GLN A 49 -10.202 -4.404 -16.792 1.00 0.57 N ATOM 726 CA GLN A 49 -10.769 -5.655 -17.295 1.00 0.60 C ATOM 727 C GLN A 49 -9.682 -6.312 -18.157 1.00 0.59 C ATOM 728 O GLN A 49 -9.678 -7.523 -18.389 1.00 0.61 O ATOM 729 CB GLN A 49 -12.035 -5.404 -18.127 1.00 0.67 C ATOM 730 CG GLN A 49 -13.218 -4.875 -17.326 1.00 0.80 C ATOM 731 CD GLN A 49 -14.321 -4.325 -18.210 1.00 1.03 C ATOM 732 OE1 GLN A 49 -14.250 -3.033 -18.510 1.00 1.67 O flip ATOM 733 NE2 GLN A 49 -15.226 -5.053 -18.618 1.00 1.52 N flip ATOM 0 H GLN A 49 -10.681 -3.563 -17.113 1.00 0.57 H new ATOM 0 HA GLN A 49 -11.065 -6.299 -16.467 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -11.800 -4.692 -18.919 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -12.327 -6.335 -18.612 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -13.620 -5.676 -16.706 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.874 -4.092 -16.651 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -15.241 -6.040 -18.362 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -15.961 -4.669 -19.212 1.00 1.52 H new ATOM 742 N ASP A 50 -8.759 -5.437 -18.619 1.00 0.58 N ATOM 743 CA ASP A 50 -7.585 -5.812 -19.390 1.00 0.57 C ATOM 744 C ASP A 50 -6.449 -6.143 -18.418 1.00 0.49 C ATOM 745 O ASP A 50 -5.710 -7.106 -18.642 1.00 0.48 O ATOM 746 CB ASP A 50 -7.153 -4.686 -20.332 1.00 0.63 C ATOM 747 CG ASP A 50 -6.504 -5.206 -21.602 1.00 1.03 C ATOM 748 OD1 ASP A 50 -7.234 -5.441 -22.588 1.00 1.83 O ATOM 749 OD2 ASP A 50 -5.267 -5.378 -21.609 1.00 1.48 O ATOM 0 H ASP A 50 -8.825 -4.433 -18.454 1.00 0.58 H new ATOM 0 HA ASP A 50 -7.827 -6.680 -20.003 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -8.022 -4.082 -20.593 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -6.454 -4.031 -19.813 1.00 0.63 H new ATOM 754 N MET A 51 -6.299 -5.324 -17.331 1.00 0.45 N ATOM 755 CA MET A 51 -5.248 -5.607 -16.307 1.00 0.41 C ATOM 756 C MET A 51 -5.453 -6.990 -15.685 1.00 0.39 C ATOM 757 O MET A 51 -4.484 -7.654 -15.308 1.00 0.38 O ATOM 758 CB MET A 51 -5.154 -4.554 -15.171 1.00 0.41 C ATOM 759 CG MET A 51 -4.575 -3.217 -15.606 1.00 0.48 C ATOM 760 SD MET A 51 -2.869 -3.348 -16.175 1.00 1.31 S ATOM 761 CE MET A 51 -2.515 -1.640 -16.583 1.00 1.31 C ATOM 0 H MET A 51 -6.867 -4.497 -17.147 1.00 0.45 H new ATOM 0 HA MET A 51 -4.307 -5.564 -16.856 1.00 0.41 H new ATOM 0 HB2 MET A 51 -6.150 -4.389 -14.760 1.00 0.41 H new ATOM 0 HB3 MET A 51 -4.540 -4.958 -14.366 1.00 0.41 H new ATOM 0 HG2 MET A 51 -5.189 -2.803 -16.405 1.00 0.48 H new ATOM 0 HG3 MET A 51 -4.623 -2.517 -14.772 1.00 0.48 H new ATOM 0 HE1 MET A 51 -1.492 -1.558 -16.951 1.00 1.31 H new ATOM 0 HE2 MET A 51 -3.206 -1.299 -17.354 1.00 1.31 H new ATOM 0 HE3 MET A 51 -2.631 -1.022 -15.693 1.00 1.31 H new ATOM 771 N ILE A 52 -6.723 -7.410 -15.585 1.00 0.41 N ATOM 772 CA ILE A 52 -7.064 -8.723 -15.037 1.00 0.42 C ATOM 773 C ILE A 52 -7.026 -9.818 -16.125 1.00 0.46 C ATOM 774 O ILE A 52 -7.010 -11.008 -15.813 1.00 0.49 O ATOM 775 CB ILE A 52 -8.435 -8.729 -14.314 1.00 0.45 C ATOM 776 CG1 ILE A 52 -8.484 -7.574 -13.293 1.00 0.45 C ATOM 777 CG2 ILE A 52 -8.674 -10.069 -13.649 1.00 0.47 C ATOM 778 CD1 ILE A 52 -8.986 -7.892 -11.878 1.00 0.48 C ATOM 0 H ILE A 52 -7.528 -6.856 -15.878 1.00 0.41 H new ATOM 0 HA ILE A 52 -6.301 -8.947 -14.291 1.00 0.42 H new ATOM 0 HB ILE A 52 -9.232 -8.578 -15.042 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -7.479 -7.160 -13.207 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -9.118 -6.789 -13.705 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -9.641 -10.058 -13.145 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -8.667 -10.856 -14.403 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -7.887 -10.259 -12.919 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -8.965 -6.986 -11.272 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -10.007 -8.270 -11.931 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -8.343 -8.646 -11.425 1.00 0.48 H new ATOM 790 N ASN A 53 -6.994 -9.399 -17.394 1.00 0.49 N ATOM 791 CA ASN A 53 -6.977 -10.298 -18.538 1.00 0.56 C ATOM 792 C ASN A 53 -5.621 -10.970 -18.702 1.00 0.58 C ATOM 793 O ASN A 53 -5.530 -12.190 -18.854 1.00 0.65 O ATOM 794 CB ASN A 53 -7.264 -9.465 -19.760 1.00 0.58 C ATOM 795 CG ASN A 53 -8.383 -10.019 -20.620 1.00 0.65 C ATOM 796 OD1 ASN A 53 -8.030 -10.876 -21.571 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -9.551 -9.680 -20.432 1.00 1.35 N flip ATOM 0 H ASN A 53 -6.979 -8.412 -17.652 1.00 0.49 H new ATOM 0 HA ASN A 53 -7.719 -11.084 -18.395 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -7.523 -8.453 -19.448 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -6.357 -9.391 -20.361 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -9.777 -9.018 -19.689 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -10.293 -10.061 -21.019 1.00 1.35 H new ATOM 804 N GLU A 54 -4.575 -10.141 -18.695 1.00 0.55 N ATOM 805 CA GLU A 54 -3.191 -10.626 -18.832 1.00 0.59 C ATOM 806 C GLU A 54 -2.697 -11.317 -17.575 1.00 0.57 C ATOM 807 O GLU A 54 -1.840 -12.204 -17.645 1.00 0.62 O ATOM 808 CB GLU A 54 -2.240 -9.495 -19.236 1.00 0.61 C ATOM 809 CG GLU A 54 -2.410 -9.030 -20.675 1.00 0.79 C ATOM 810 CD GLU A 54 -1.458 -7.909 -21.043 1.00 1.15 C ATOM 811 OE1 GLU A 54 -0.345 -8.209 -21.523 1.00 1.78 O ATOM 812 OE2 GLU A 54 -1.826 -6.731 -20.851 1.00 1.82 O ATOM 0 H GLU A 54 -4.655 -9.129 -18.596 1.00 0.55 H new ATOM 0 HA GLU A 54 -3.199 -11.368 -19.630 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -2.396 -8.647 -18.570 1.00 0.61 H new ATOM 0 HB3 GLU A 54 -1.212 -9.829 -19.091 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -2.249 -9.873 -21.347 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -3.436 -8.694 -20.825 1.00 0.79 H new ATOM 819 N VAL A 55 -3.235 -10.910 -16.440 1.00 0.50 N ATOM 820 CA VAL A 55 -2.901 -11.537 -15.174 1.00 0.48 C ATOM 821 C VAL A 55 -4.177 -12.259 -14.719 1.00 0.48 C ATOM 822 O VAL A 55 -4.583 -12.221 -13.555 1.00 0.45 O ATOM 823 CB VAL A 55 -2.363 -10.518 -14.114 1.00 0.44 C ATOM 824 CG1 VAL A 55 -1.540 -11.239 -13.049 1.00 0.47 C ATOM 825 CG2 VAL A 55 -1.511 -9.431 -14.766 1.00 0.48 C ATOM 0 H VAL A 55 -3.907 -10.146 -16.369 1.00 0.50 H new ATOM 0 HA VAL A 55 -2.077 -12.240 -15.290 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.228 -10.046 -13.647 1.00 0.44 H new ATOM 0 HG11 VAL A 55 -1.174 -10.516 -12.320 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -2.164 -11.977 -12.545 1.00 0.47 H new ATOM 0 HG13 VAL A 55 -0.694 -11.739 -13.520 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -1.154 -8.741 -14.001 1.00 0.48 H new ATOM 0 HG22 VAL A 55 -0.659 -9.889 -15.268 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -2.111 -8.886 -15.495 1.00 0.48 H new ATOM 835 N ASP A 56 -4.780 -12.946 -15.712 1.00 0.55 N ATOM 836 CA ASP A 56 -6.053 -13.682 -15.568 1.00 0.60 C ATOM 837 C ASP A 56 -6.040 -14.807 -14.515 1.00 0.61 C ATOM 838 O ASP A 56 -5.506 -15.898 -14.756 1.00 0.65 O ATOM 839 CB ASP A 56 -6.425 -14.267 -16.940 1.00 0.75 C ATOM 840 CG ASP A 56 -7.918 -14.426 -17.142 1.00 0.98 C ATOM 841 OD1 ASP A 56 -8.459 -15.484 -16.756 1.00 1.58 O ATOM 842 OD2 ASP A 56 -8.545 -13.495 -17.689 1.00 1.87 O ATOM 0 H ASP A 56 -4.389 -13.006 -16.652 1.00 0.55 H new ATOM 0 HA ASP A 56 -6.790 -12.964 -15.208 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -6.027 -13.621 -17.722 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -5.945 -15.239 -17.055 1.00 0.75 H new ATOM 847 N ALA A 57 -6.616 -14.511 -13.333 1.00 0.59 N ATOM 848 CA ALA A 57 -6.742 -15.507 -12.261 1.00 0.62 C ATOM 849 C ALA A 57 -8.051 -16.277 -12.396 1.00 0.68 C ATOM 850 O ALA A 57 -8.075 -17.511 -12.398 1.00 0.74 O ATOM 851 CB ALA A 57 -6.690 -14.837 -10.894 1.00 0.60 C ATOM 0 H ALA A 57 -6.998 -13.594 -13.101 1.00 0.59 H new ATOM 0 HA ALA A 57 -5.906 -16.201 -12.350 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -6.785 -15.593 -10.114 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -5.739 -14.316 -10.780 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -7.508 -14.122 -10.808 1.00 0.60 H new ATOM 857 N ASP A 58 -9.128 -15.505 -12.507 1.00 0.68 N ATOM 858 CA ASP A 58 -10.480 -16.032 -12.672 1.00 0.75 C ATOM 859 C ASP A 58 -11.062 -15.592 -14.024 1.00 0.75 C ATOM 860 O ASP A 58 -11.965 -16.235 -14.568 1.00 0.83 O ATOM 861 CB ASP A 58 -11.328 -15.564 -11.476 1.00 0.77 C ATOM 862 CG ASP A 58 -12.818 -15.850 -11.611 1.00 0.90 C ATOM 863 OD1 ASP A 58 -13.202 -17.037 -11.548 1.00 1.36 O ATOM 864 OD2 ASP A 58 -13.595 -14.887 -11.774 1.00 1.62 O ATOM 0 H ASP A 58 -9.087 -14.486 -12.485 1.00 0.68 H new ATOM 0 HA ASP A 58 -10.475 -17.122 -12.684 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -10.958 -16.048 -10.572 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -11.187 -14.491 -11.344 1.00 0.77 H new ATOM 869 N GLY A 59 -10.518 -14.486 -14.539 1.00 0.68 N ATOM 870 CA GLY A 59 -10.879 -13.937 -15.837 1.00 0.68 C ATOM 871 C GLY A 59 -12.268 -13.375 -15.957 1.00 0.72 C ATOM 872 O GLY A 59 -12.722 -13.084 -17.069 1.00 0.75 O ATOM 0 H GLY A 59 -9.804 -13.943 -14.054 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -10.168 -13.149 -16.085 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -10.761 -14.721 -16.585 1.00 0.68 H new ATOM 876 N ASN A 60 -12.944 -13.225 -14.830 1.00 0.73 N ATOM 877 CA ASN A 60 -14.240 -12.601 -14.815 1.00 0.78 C ATOM 878 C ASN A 60 -14.010 -11.149 -14.426 1.00 0.72 C ATOM 879 O ASN A 60 -14.923 -10.417 -14.024 1.00 0.77 O ATOM 880 CB ASN A 60 -15.196 -13.319 -13.850 1.00 0.86 C ATOM 881 CG ASN A 60 -16.658 -13.043 -14.156 1.00 1.28 C ATOM 882 OD1 ASN A 60 -17.243 -12.091 -13.640 1.00 1.86 O ATOM 883 ND2 ASN A 60 -17.253 -13.878 -14.999 1.00 2.03 N ATOM 0 H ASN A 60 -12.609 -13.530 -13.916 1.00 0.73 H new ATOM 0 HA ASN A 60 -14.721 -12.661 -15.791 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -15.016 -14.393 -13.899 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -14.978 -13.005 -12.829 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -18.234 -13.743 -15.243 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -16.729 -14.654 -15.403 1.00 2.03 H new ATOM 890 N GLY A 61 -12.735 -10.760 -14.594 1.00 0.64 N ATOM 891 CA GLY A 61 -12.284 -9.433 -14.249 1.00 0.59 C ATOM 892 C GLY A 61 -11.902 -9.377 -12.792 1.00 0.56 C ATOM 893 O GLY A 61 -11.982 -8.338 -12.136 1.00 0.56 O ATOM 0 H GLY A 61 -12.005 -11.364 -14.971 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -11.429 -9.159 -14.868 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -13.072 -8.708 -14.454 1.00 0.59 H new ATOM 897 N THR A 62 -11.519 -10.541 -12.302 1.00 0.56 N ATOM 898 CA THR A 62 -11.136 -10.724 -10.922 1.00 0.54 C ATOM 899 C THR A 62 -9.805 -11.428 -10.787 1.00 0.50 C ATOM 900 O THR A 62 -9.549 -12.428 -11.464 1.00 0.51 O ATOM 901 CB THR A 62 -12.159 -11.555 -10.145 1.00 0.59 C ATOM 902 OG1 THR A 62 -13.028 -12.268 -11.038 1.00 0.65 O ATOM 903 CG2 THR A 62 -12.976 -10.679 -9.210 1.00 0.62 C ATOM 0 H THR A 62 -11.466 -11.393 -12.860 1.00 0.56 H new ATOM 0 HA THR A 62 -11.075 -9.716 -10.512 1.00 0.54 H new ATOM 0 HB THR A 62 -11.607 -12.280 -9.546 1.00 0.59 H new ATOM 0 HG1 THR A 62 -12.878 -13.232 -10.941 1.00 0.65 H new ATOM 0 HG21 THR A 62 -13.695 -11.295 -8.670 1.00 0.62 H new ATOM 0 HG22 THR A 62 -12.312 -10.188 -8.498 1.00 0.62 H new ATOM 0 HG23 THR A 62 -13.508 -9.925 -9.790 1.00 0.62 H new ATOM 911 N ILE A 63 -8.965 -10.893 -9.909 1.00 0.47 N ATOM 912 CA ILE A 63 -7.678 -11.472 -9.633 1.00 0.45 C ATOM 913 C ILE A 63 -7.641 -11.941 -8.174 1.00 0.46 C ATOM 914 O ILE A 63 -8.160 -11.281 -7.272 1.00 0.48 O ATOM 915 CB ILE A 63 -6.530 -10.496 -9.973 1.00 0.41 C ATOM 916 CG1 ILE A 63 -5.409 -11.208 -10.732 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.994 -9.842 -8.725 1.00 0.43 C ATOM 918 CD1 ILE A 63 -4.396 -10.259 -11.341 1.00 0.42 C ATOM 0 H ILE A 63 -9.166 -10.048 -9.375 1.00 0.47 H new ATOM 0 HA ILE A 63 -7.526 -12.339 -10.275 1.00 0.45 H new ATOM 0 HB ILE A 63 -6.935 -9.718 -10.620 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -4.896 -11.888 -10.053 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -5.846 -11.817 -11.523 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -5.187 -9.159 -8.990 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -6.793 -9.286 -8.234 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -5.615 -10.607 -8.048 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -3.630 -10.831 -11.864 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -4.897 -9.595 -12.045 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -3.932 -9.667 -10.552 1.00 0.42 H new ATOM 930 N ASP A 64 -7.040 -13.092 -7.988 1.00 0.48 N ATOM 931 CA ASP A 64 -6.924 -13.753 -6.687 1.00 0.51 C ATOM 932 C ASP A 64 -5.695 -13.268 -5.895 1.00 0.54 C ATOM 933 O ASP A 64 -5.002 -12.339 -6.320 1.00 0.54 O ATOM 934 CB ASP A 64 -6.863 -15.265 -6.915 1.00 0.57 C ATOM 935 CG ASP A 64 -8.222 -15.861 -7.232 1.00 0.65 C ATOM 936 OD1 ASP A 64 -8.579 -15.925 -8.427 1.00 1.25 O ATOM 937 OD2 ASP A 64 -8.928 -16.264 -6.284 1.00 1.33 O ATOM 0 H ASP A 64 -6.604 -13.616 -8.747 1.00 0.48 H new ATOM 0 HA ASP A 64 -7.796 -13.498 -6.085 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -6.177 -15.478 -7.734 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -6.457 -15.747 -6.026 1.00 0.57 H new ATOM 942 N PHE A 65 -5.441 -13.913 -4.740 1.00 0.62 N ATOM 943 CA PHE A 65 -4.318 -13.561 -3.854 1.00 0.73 C ATOM 944 C PHE A 65 -2.929 -14.014 -4.369 1.00 0.78 C ATOM 945 O PHE A 65 -1.955 -13.295 -4.134 1.00 0.86 O ATOM 946 CB PHE A 65 -4.554 -14.086 -2.422 1.00 0.82 C ATOM 947 CG PHE A 65 -4.944 -15.542 -2.319 1.00 0.82 C ATOM 948 CD1 PHE A 65 -6.262 -15.937 -2.492 1.00 1.39 C ATOM 949 CD2 PHE A 65 -3.989 -16.509 -2.046 1.00 1.51 C ATOM 950 CE1 PHE A 65 -6.620 -17.268 -2.395 1.00 1.43 C ATOM 951 CE2 PHE A 65 -4.342 -17.842 -1.948 1.00 1.52 C ATOM 952 CZ PHE A 65 -5.659 -18.222 -2.123 1.00 0.90 C ATOM 0 H PHE A 65 -6.007 -14.689 -4.397 1.00 0.62 H new ATOM 0 HA PHE A 65 -4.295 -12.471 -3.846 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -3.645 -13.930 -1.842 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -5.336 -13.485 -1.958 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -7.018 -15.195 -2.705 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -2.958 -16.218 -1.908 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -7.650 -17.562 -2.532 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -3.589 -18.586 -1.735 1.00 1.52 H new ATOM 0 HZ PHE A 65 -5.936 -19.263 -2.047 1.00 0.90 H new ATOM 962 N PRO A 66 -2.781 -15.188 -5.070 1.00 0.79 N ATOM 963 CA PRO A 66 -1.464 -15.644 -5.560 1.00 0.89 C ATOM 964 C PRO A 66 -0.954 -14.852 -6.771 1.00 0.79 C ATOM 965 O PRO A 66 0.254 -14.795 -7.004 1.00 0.82 O ATOM 966 CB PRO A 66 -1.704 -17.112 -5.959 1.00 0.98 C ATOM 967 CG PRO A 66 -3.068 -17.455 -5.461 1.00 0.91 C ATOM 968 CD PRO A 66 -3.827 -16.165 -5.438 1.00 0.75 C ATOM 0 HA PRO A 66 -0.700 -15.507 -4.794 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -1.640 -17.238 -7.040 1.00 0.98 H new ATOM 0 HB3 PRO A 66 -0.951 -17.765 -5.517 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -3.552 -18.182 -6.113 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -3.022 -17.900 -4.467 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -4.272 -15.938 -6.407 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -4.639 -16.184 -4.711 1.00 0.75 H new ATOM 976 N GLU A 67 -1.882 -14.268 -7.542 1.00 0.69 N ATOM 977 CA GLU A 67 -1.540 -13.505 -8.735 1.00 0.63 C ATOM 978 C GLU A 67 -1.295 -12.008 -8.492 1.00 0.62 C ATOM 979 O GLU A 67 -0.273 -11.489 -8.951 1.00 0.66 O ATOM 980 CB GLU A 67 -2.598 -13.710 -9.806 1.00 0.61 C ATOM 981 CG GLU A 67 -2.206 -14.756 -10.836 1.00 0.70 C ATOM 982 CD GLU A 67 -3.373 -15.211 -11.687 1.00 1.12 C ATOM 983 OE1 GLU A 67 -3.678 -14.531 -12.688 1.00 1.71 O ATOM 984 OE2 GLU A 67 -3.979 -16.251 -11.354 1.00 1.94 O ATOM 0 H GLU A 67 -2.883 -14.315 -7.352 1.00 0.69 H new ATOM 0 HA GLU A 67 -0.581 -13.897 -9.073 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -3.534 -14.007 -9.332 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -2.784 -12.762 -10.311 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -1.429 -14.349 -11.482 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -1.777 -15.618 -10.326 1.00 0.70 H new ATOM 991 N PHE A 68 -2.224 -11.307 -7.789 1.00 0.63 N ATOM 992 CA PHE A 68 -2.090 -9.852 -7.543 1.00 0.72 C ATOM 993 C PHE A 68 -0.703 -9.413 -7.047 1.00 0.79 C ATOM 994 O PHE A 68 -0.194 -8.377 -7.482 1.00 0.87 O ATOM 995 CB PHE A 68 -3.243 -9.306 -6.645 1.00 0.88 C ATOM 996 CG PHE A 68 -3.128 -9.434 -5.130 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.177 -8.723 -4.409 1.00 1.54 C ATOM 998 CD2 PHE A 68 -4.028 -10.221 -4.427 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.123 -8.797 -3.032 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -3.973 -10.303 -3.045 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.021 -9.588 -2.350 1.00 2.37 C ATOM 0 H PHE A 68 -3.064 -11.724 -7.388 1.00 0.63 H new ATOM 0 HA PHE A 68 -2.188 -9.388 -8.524 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.367 -8.248 -6.877 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -4.162 -9.808 -6.948 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.468 -8.102 -4.935 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.782 -10.777 -4.964 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.377 -8.235 -2.489 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -4.676 -10.927 -2.512 1.00 2.44 H new ATOM 0 HZ PHE A 68 -2.979 -9.648 -1.272 1.00 2.37 H new ATOM 1011 N LEU A 69 -0.098 -10.210 -6.173 1.00 0.81 N ATOM 1012 CA LEU A 69 1.222 -9.887 -5.612 1.00 0.89 C ATOM 1013 C LEU A 69 2.388 -10.367 -6.457 1.00 0.84 C ATOM 1014 O LEU A 69 3.518 -9.955 -6.214 1.00 0.89 O ATOM 1015 CB LEU A 69 1.406 -10.455 -4.221 1.00 0.99 C ATOM 1016 CG LEU A 69 0.624 -11.732 -3.933 1.00 0.97 C ATOM 1017 CD1 LEU A 69 1.075 -12.869 -4.838 1.00 0.92 C ATOM 1018 CD2 LEU A 69 0.791 -12.129 -2.486 1.00 1.14 C ATOM 0 H LEU A 69 -0.495 -11.086 -5.834 1.00 0.81 H new ATOM 0 HA LEU A 69 1.232 -8.797 -5.589 1.00 0.89 H new ATOM 0 HB2 LEU A 69 2.466 -10.654 -4.064 1.00 0.99 H new ATOM 0 HB3 LEU A 69 1.113 -9.697 -3.495 1.00 0.99 H new ATOM 0 HG LEU A 69 -0.429 -11.534 -4.133 1.00 0.97 H new ATOM 0 HD11 LEU A 69 0.500 -13.766 -4.609 1.00 0.92 H new ATOM 0 HD12 LEU A 69 0.914 -12.591 -5.880 1.00 0.92 H new ATOM 0 HD13 LEU A 69 2.134 -13.066 -4.674 1.00 0.92 H new ATOM 0 HD21 LEU A 69 0.228 -13.042 -2.292 1.00 1.14 H new ATOM 0 HD22 LEU A 69 1.846 -12.302 -2.276 1.00 1.14 H new ATOM 0 HD23 LEU A 69 0.419 -11.330 -1.844 1.00 1.14 H new ATOM 1030 N THR A 70 2.127 -11.279 -7.402 1.00 0.78 N ATOM 1031 CA THR A 70 3.176 -11.838 -8.284 1.00 0.78 C ATOM 1032 C THR A 70 4.081 -10.741 -8.862 1.00 0.80 C ATOM 1033 O THR A 70 5.189 -11.024 -9.317 1.00 0.79 O ATOM 1034 CB THR A 70 2.547 -12.695 -9.420 1.00 0.80 C ATOM 1035 OG1 THR A 70 1.651 -13.655 -8.856 1.00 0.79 O ATOM 1036 CG2 THR A 70 3.602 -13.430 -10.247 1.00 0.88 C ATOM 0 H THR A 70 1.194 -11.651 -7.581 1.00 0.78 H new ATOM 0 HA THR A 70 3.803 -12.487 -7.672 1.00 0.78 H new ATOM 0 HB THR A 70 2.016 -12.012 -10.083 1.00 0.80 H new ATOM 0 HG1 THR A 70 1.639 -13.558 -7.881 1.00 0.79 H new ATOM 0 HG21 THR A 70 3.112 -14.014 -11.026 1.00 0.88 H new ATOM 0 HG22 THR A 70 4.275 -12.705 -10.705 1.00 0.88 H new ATOM 0 HG23 THR A 70 4.173 -14.096 -9.600 1.00 0.88 H new ATOM 1044 N MET A 71 3.584 -9.506 -8.832 1.00 0.87 N ATOM 1045 CA MET A 71 4.330 -8.354 -9.285 1.00 0.96 C ATOM 1046 C MET A 71 5.189 -7.771 -8.166 1.00 0.97 C ATOM 1047 O MET A 71 6.250 -7.212 -8.447 1.00 1.00 O ATOM 1048 CB MET A 71 3.404 -7.293 -9.879 1.00 1.10 C ATOM 1049 CG MET A 71 2.849 -7.669 -11.243 1.00 1.15 C ATOM 1050 SD MET A 71 4.111 -7.675 -12.530 1.00 1.66 S ATOM 1051 CE MET A 71 3.139 -8.164 -13.953 1.00 1.68 C ATOM 0 H MET A 71 2.649 -9.285 -8.490 1.00 0.87 H new ATOM 0 HA MET A 71 5.002 -8.689 -10.075 1.00 0.96 H new ATOM 0 HB2 MET A 71 2.575 -7.120 -9.193 1.00 1.10 H new ATOM 0 HB3 MET A 71 3.949 -6.353 -9.964 1.00 1.10 H new ATOM 0 HG2 MET A 71 2.391 -8.656 -11.185 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.061 -6.967 -11.516 1.00 1.15 H new ATOM 0 HE1 MET A 71 3.781 -8.213 -14.833 1.00 1.68 H new ATOM 0 HE2 MET A 71 2.696 -9.143 -13.772 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.348 -7.434 -14.122 1.00 1.68 H new ATOM 1061 N MET A 72 4.736 -7.886 -6.897 1.00 0.99 N ATOM 1062 CA MET A 72 5.542 -7.411 -5.771 1.00 1.06 C ATOM 1063 C MET A 72 6.483 -8.534 -5.368 1.00 0.94 C ATOM 1064 O MET A 72 7.569 -8.302 -4.829 1.00 0.95 O ATOM 1065 CB MET A 72 4.674 -6.895 -4.604 1.00 1.23 C ATOM 1066 CG MET A 72 3.811 -7.943 -3.896 1.00 1.37 C ATOM 1067 SD MET A 72 4.741 -8.899 -2.680 1.00 2.19 S ATOM 1068 CE MET A 72 3.455 -9.318 -1.505 1.00 3.08 C ATOM 0 H MET A 72 3.838 -8.295 -6.640 1.00 0.99 H new ATOM 0 HA MET A 72 6.130 -6.543 -6.071 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.330 -6.434 -3.865 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.020 -6.110 -4.983 1.00 1.23 H new ATOM 0 HG2 MET A 72 2.976 -7.447 -3.401 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.386 -8.620 -4.637 1.00 1.37 H new ATOM 0 HE1 MET A 72 3.692 -8.881 -0.535 1.00 3.08 H new ATOM 0 HE2 MET A 72 2.500 -8.927 -1.856 1.00 3.08 H new ATOM 0 HE3 MET A 72 3.389 -10.402 -1.408 1.00 3.08 H new ATOM 1078 N ALA A 73 6.022 -9.762 -5.647 1.00 0.86 N ATOM 1079 CA ALA A 73 6.815 -10.956 -5.456 1.00 0.79 C ATOM 1080 C ALA A 73 7.806 -11.029 -6.610 1.00 0.71 C ATOM 1081 O ALA A 73 8.817 -11.722 -6.522 1.00 0.68 O ATOM 1082 CB ALA A 73 5.941 -12.200 -5.400 1.00 0.80 C ATOM 0 H ALA A 73 5.086 -9.941 -6.011 1.00 0.86 H new ATOM 0 HA ALA A 73 7.342 -10.911 -4.503 1.00 0.79 H new ATOM 0 HB1 ALA A 73 6.569 -13.079 -5.256 1.00 0.80 H new ATOM 0 HB2 ALA A 73 5.239 -12.115 -4.570 1.00 0.80 H new ATOM 0 HB3 ALA A 73 5.388 -12.298 -6.334 1.00 0.80 H new ATOM 1088 N ARG A 74 7.493 -10.287 -7.713 1.00 0.72 N ATOM 1089 CA ARG A 74 8.350 -10.178 -8.843 1.00 0.71 C ATOM 1090 C ARG A 74 9.554 -9.342 -8.457 1.00 0.73 C ATOM 1091 O ARG A 74 10.675 -9.665 -8.827 1.00 0.68 O ATOM 1092 CB ARG A 74 7.575 -9.491 -9.960 1.00 0.83 C ATOM 1093 CG ARG A 74 8.432 -9.100 -11.125 1.00 0.91 C ATOM 1094 CD ARG A 74 7.616 -8.841 -12.381 1.00 1.12 C ATOM 1095 NE ARG A 74 8.454 -8.400 -13.501 1.00 1.47 N ATOM 1096 CZ ARG A 74 8.121 -8.513 -14.795 1.00 1.90 C ATOM 1097 NH1 ARG A 74 6.960 -9.053 -15.164 1.00 2.18 N ATOM 1098 NH2 ARG A 74 8.960 -8.082 -15.727 1.00 2.55 N ATOM 0 H ARG A 74 6.625 -9.760 -7.804 1.00 0.72 H new ATOM 0 HA ARG A 74 8.686 -11.159 -9.178 1.00 0.71 H new ATOM 0 HB2 ARG A 74 6.785 -10.157 -10.307 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.089 -8.601 -9.561 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.999 -8.204 -10.872 1.00 0.91 H new ATOM 0 HG3 ARG A 74 9.156 -9.890 -11.322 1.00 0.91 H new ATOM 0 HD2 ARG A 74 7.085 -9.751 -12.662 1.00 1.12 H new ATOM 0 HD3 ARG A 74 6.861 -8.083 -12.173 1.00 1.12 H new ATOM 0 HE ARG A 74 9.355 -7.977 -13.280 1.00 1.47 H new ATOM 0 HH11 ARG A 74 6.306 -9.389 -14.457 1.00 2.18 H new ATOM 0 HH12 ARG A 74 6.725 -9.130 -16.154 1.00 2.18 H new ATOM 0 HH21 ARG A 74 9.852 -7.668 -15.458 1.00 2.55 H new ATOM 0 HH22 ARG A 74 8.713 -8.165 -16.713 1.00 2.55 H new ATOM 1112 N LYS A 75 9.295 -8.236 -7.730 1.00 0.86 N ATOM 1113 CA LYS A 75 10.352 -7.365 -7.244 1.00 0.95 C ATOM 1114 C LYS A 75 11.352 -8.156 -6.384 1.00 0.90 C ATOM 1115 O LYS A 75 12.476 -7.711 -6.141 1.00 0.96 O ATOM 1116 CB LYS A 75 9.737 -6.209 -6.462 1.00 1.19 C ATOM 1117 CG LYS A 75 8.450 -5.714 -7.104 1.00 1.28 C ATOM 1118 CD LYS A 75 8.706 -4.808 -8.294 1.00 1.40 C ATOM 1119 CE LYS A 75 8.697 -3.328 -7.919 1.00 2.25 C ATOM 1120 NZ LYS A 75 7.328 -2.837 -7.593 1.00 2.99 N ATOM 0 H LYS A 75 8.355 -7.935 -7.473 1.00 0.86 H new ATOM 0 HA LYS A 75 10.904 -6.957 -8.091 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.534 -6.529 -5.440 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.452 -5.389 -6.403 1.00 1.19 H new ATOM 0 HG2 LYS A 75 7.855 -6.569 -7.424 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.861 -5.176 -6.362 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.669 -5.061 -8.737 1.00 1.40 H new ATOM 0 HD3 LYS A 75 7.947 -4.991 -9.055 1.00 1.40 H new ATOM 0 HE2 LYS A 75 9.352 -3.168 -7.062 1.00 2.25 H new ATOM 0 HE3 LYS A 75 9.104 -2.744 -8.744 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 7.258 -1.825 -7.822 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 6.627 -3.367 -8.149 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 7.142 -2.976 -6.579 1.00 2.99 H new ATOM 1134 N MET A 76 10.893 -9.339 -5.922 1.00 0.85 N ATOM 1135 CA MET A 76 11.703 -10.271 -5.156 1.00 0.93 C ATOM 1136 C MET A 76 12.607 -11.055 -6.115 1.00 0.83 C ATOM 1137 O MET A 76 13.753 -11.372 -5.784 1.00 0.93 O ATOM 1138 CB MET A 76 10.824 -11.230 -4.350 1.00 1.07 C ATOM 1139 CG MET A 76 10.210 -10.597 -3.111 1.00 0.96 C ATOM 1140 SD MET A 76 11.437 -10.206 -1.850 1.00 1.64 S ATOM 1141 CE MET A 76 10.395 -9.512 -0.569 1.00 2.37 C ATOM 0 H MET A 76 9.939 -9.664 -6.079 1.00 0.85 H new ATOM 0 HA MET A 76 12.315 -9.710 -4.449 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.025 -11.603 -4.991 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.421 -12.091 -4.050 1.00 1.07 H new ATOM 0 HG2 MET A 76 9.685 -9.686 -3.396 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.467 -11.275 -2.691 1.00 0.96 H new ATOM 0 HE1 MET A 76 11.005 -8.924 0.117 1.00 2.37 H new ATOM 0 HE2 MET A 76 9.639 -8.871 -1.023 1.00 2.37 H new ATOM 0 HE3 MET A 76 9.907 -10.318 -0.021 1.00 2.37 H new ATOM 1151 N LYS A 77 12.060 -11.362 -7.316 1.00 0.72 N ATOM 1152 CA LYS A 77 12.808 -12.064 -8.376 1.00 0.79 C ATOM 1153 C LYS A 77 13.673 -11.056 -9.134 1.00 0.78 C ATOM 1154 O LYS A 77 14.867 -11.274 -9.357 1.00 0.91 O ATOM 1155 CB LYS A 77 11.869 -12.779 -9.382 1.00 0.86 C ATOM 1156 CG LYS A 77 10.426 -12.928 -8.928 1.00 0.76 C ATOM 1157 CD LYS A 77 10.252 -13.951 -7.801 1.00 0.89 C ATOM 1158 CE LYS A 77 10.164 -15.384 -8.321 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.968 -16.364 -7.217 1.00 1.75 N ATOM 0 H LYS A 77 11.100 -11.132 -7.571 1.00 0.72 H new ATOM 0 HA LYS A 77 13.425 -12.824 -7.896 1.00 0.79 H new ATOM 0 HB2 LYS A 77 11.882 -12.227 -10.322 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.272 -13.770 -9.589 1.00 0.86 H new ATOM 0 HG2 LYS A 77 10.056 -11.960 -8.592 1.00 0.76 H new ATOM 0 HG3 LYS A 77 9.813 -13.226 -9.779 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.090 -13.870 -7.108 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.349 -13.716 -7.238 1.00 0.89 H new ATOM 0 HE2 LYS A 77 9.338 -15.464 -9.028 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.075 -15.629 -8.866 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.913 -17.325 -7.611 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 10.768 -16.306 -6.555 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.085 -16.146 -6.712 1.00 1.75 H new ATOM 1173 N ASP A 78 13.024 -9.953 -9.519 1.00 0.74 N ATOM 1174 CA ASP A 78 13.665 -8.844 -10.241 1.00 0.79 C ATOM 1175 C ASP A 78 14.216 -7.801 -9.261 1.00 0.77 C ATOM 1176 O ASP A 78 13.454 -7.196 -8.499 1.00 0.80 O ATOM 1177 CB ASP A 78 12.656 -8.176 -11.184 1.00 0.84 C ATOM 1178 CG ASP A 78 12.219 -9.084 -12.320 1.00 1.19 C ATOM 1179 OD1 ASP A 78 12.851 -9.035 -13.396 1.00 1.66 O ATOM 1180 OD2 ASP A 78 11.246 -9.844 -12.132 1.00 1.92 O ATOM 0 H ASP A 78 12.032 -9.801 -9.338 1.00 0.74 H new ATOM 0 HA ASP A 78 14.493 -9.251 -10.822 1.00 0.79 H new ATOM 0 HB2 ASP A 78 11.780 -7.870 -10.613 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.098 -7.270 -11.599 1.00 0.84 H new ATOM 1185 N THR A 79 15.543 -7.600 -9.283 1.00 0.79 N ATOM 1186 CA THR A 79 16.199 -6.638 -8.396 1.00 0.82 C ATOM 1187 C THR A 79 16.227 -5.227 -8.976 1.00 0.73 C ATOM 1188 O THR A 79 17.078 -4.398 -8.627 1.00 0.78 O ATOM 1189 CB THR A 79 17.624 -7.075 -7.990 1.00 0.99 C ATOM 1190 OG1 THR A 79 18.406 -7.356 -9.157 1.00 1.03 O ATOM 1191 CG2 THR A 79 17.592 -8.300 -7.083 1.00 1.15 C ATOM 0 H THR A 79 16.180 -8.094 -9.908 1.00 0.79 H new ATOM 0 HA THR A 79 15.586 -6.619 -7.495 1.00 0.82 H new ATOM 0 HB THR A 79 18.080 -6.254 -7.437 1.00 0.99 H new ATOM 0 HG1 THR A 79 19.308 -7.630 -8.888 1.00 1.03 H new ATOM 0 HG21 THR A 79 18.611 -8.582 -6.816 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.030 -8.068 -6.178 1.00 1.15 H new ATOM 0 HG23 THR A 79 17.112 -9.127 -7.606 1.00 1.15 H new ATOM 1199 N ASP A 80 15.264 -4.970 -9.847 1.00 0.66 N ATOM 1200 CA ASP A 80 15.085 -3.666 -10.479 1.00 0.67 C ATOM 1201 C ASP A 80 14.272 -2.747 -9.554 1.00 0.66 C ATOM 1202 O ASP A 80 13.895 -1.632 -9.927 1.00 0.74 O ATOM 1203 CB ASP A 80 14.386 -3.820 -11.837 1.00 0.77 C ATOM 1204 CG ASP A 80 15.272 -4.474 -12.880 1.00 1.18 C ATOM 1205 OD1 ASP A 80 15.249 -5.719 -12.983 1.00 1.72 O ATOM 1206 OD2 ASP A 80 15.989 -3.742 -13.594 1.00 1.86 O ATOM 0 H ASP A 80 14.577 -5.665 -10.140 1.00 0.66 H new ATOM 0 HA ASP A 80 16.064 -3.217 -10.650 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.481 -4.415 -11.710 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.075 -2.838 -12.194 1.00 0.77 H new ATOM 1211 N SER A 81 14.052 -3.239 -8.322 1.00 0.67 N ATOM 1212 CA SER A 81 13.280 -2.540 -7.287 1.00 0.75 C ATOM 1213 C SER A 81 13.982 -1.281 -6.751 1.00 0.68 C ATOM 1214 O SER A 81 13.336 -0.443 -6.117 1.00 0.76 O ATOM 1215 CB SER A 81 13.010 -3.515 -6.142 1.00 0.92 C ATOM 1216 OG SER A 81 12.256 -2.914 -5.100 1.00 1.07 O ATOM 0 H SER A 81 14.411 -4.144 -8.017 1.00 0.67 H new ATOM 0 HA SER A 81 12.350 -2.199 -7.741 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.473 -4.383 -6.524 1.00 0.92 H new ATOM 0 HB3 SER A 81 13.957 -3.876 -5.742 1.00 0.92 H new ATOM 0 HG SER A 81 12.307 -1.939 -5.180 1.00 1.07 H new ATOM 1222 N GLU A 82 15.297 -1.151 -7.001 1.00 0.62 N ATOM 1223 CA GLU A 82 16.070 0.017 -6.542 1.00 0.63 C ATOM 1224 C GLU A 82 15.644 1.288 -7.294 1.00 0.57 C ATOM 1225 O GLU A 82 15.656 2.386 -6.731 1.00 0.58 O ATOM 1226 CB GLU A 82 17.576 -0.230 -6.729 1.00 0.72 C ATOM 1227 CG GLU A 82 18.470 0.632 -5.835 1.00 0.78 C ATOM 1228 CD GLU A 82 18.600 0.084 -4.425 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.526 -0.719 -4.183 1.00 1.65 O ATOM 1230 OE2 GLU A 82 17.777 0.459 -3.564 1.00 2.12 O ATOM 0 H GLU A 82 15.846 -1.839 -7.517 1.00 0.62 H new ATOM 0 HA GLU A 82 15.865 0.162 -5.481 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.788 -1.281 -6.530 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.836 -0.044 -7.771 1.00 0.72 H new ATOM 0 HG2 GLU A 82 19.461 0.706 -6.284 1.00 0.78 H new ATOM 0 HG3 GLU A 82 18.064 1.643 -5.791 1.00 0.78 H new ATOM 1237 N GLU A 83 15.271 1.109 -8.565 1.00 0.55 N ATOM 1238 CA GLU A 83 14.817 2.206 -9.422 1.00 0.58 C ATOM 1239 C GLU A 83 13.307 2.432 -9.277 1.00 0.59 C ATOM 1240 O GLU A 83 12.809 3.534 -9.529 1.00 0.65 O ATOM 1241 CB GLU A 83 15.159 1.897 -10.883 1.00 0.64 C ATOM 1242 CG GLU A 83 16.636 2.055 -11.214 1.00 0.71 C ATOM 1243 CD GLU A 83 16.946 1.743 -12.665 1.00 0.94 C ATOM 1244 OE1 GLU A 83 16.897 2.675 -13.496 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.237 0.568 -12.971 1.00 1.27 O ATOM 0 H GLU A 83 15.276 0.200 -9.027 1.00 0.55 H new ATOM 0 HA GLU A 83 15.329 3.117 -9.112 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.852 0.876 -11.110 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.579 2.555 -11.529 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.947 3.076 -10.991 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.221 1.396 -10.572 1.00 0.71 H new ATOM 1252 N GLU A 84 12.595 1.372 -8.869 1.00 0.60 N ATOM 1253 CA GLU A 84 11.135 1.409 -8.684 1.00 0.68 C ATOM 1254 C GLU A 84 10.739 1.896 -7.285 1.00 0.63 C ATOM 1255 O GLU A 84 9.640 2.414 -7.100 1.00 0.69 O ATOM 1256 CB GLU A 84 10.520 0.011 -8.894 1.00 0.80 C ATOM 1257 CG GLU A 84 11.034 -0.755 -10.112 1.00 1.14 C ATOM 1258 CD GLU A 84 10.406 -0.294 -11.415 1.00 1.74 C ATOM 1259 OE1 GLU A 84 10.956 0.634 -12.044 1.00 2.23 O ATOM 1260 OE2 GLU A 84 9.364 -0.862 -11.805 1.00 2.31 O ATOM 0 H GLU A 84 13.013 0.466 -8.658 1.00 0.60 H new ATOM 0 HA GLU A 84 10.753 2.110 -9.426 1.00 0.68 H new ATOM 0 HB2 GLU A 84 10.709 -0.588 -8.003 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.439 0.118 -8.983 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.116 -0.639 -10.176 1.00 1.14 H new ATOM 0 HG3 GLU A 84 10.835 -1.818 -9.976 1.00 1.14 H new ATOM 1267 N ILE A 85 11.651 1.734 -6.313 1.00 0.57 N ATOM 1268 CA ILE A 85 11.405 2.093 -4.903 1.00 0.54 C ATOM 1269 C ILE A 85 11.157 3.601 -4.667 1.00 0.50 C ATOM 1270 O ILE A 85 10.328 3.959 -3.825 1.00 0.50 O ATOM 1271 CB ILE A 85 12.562 1.550 -3.997 1.00 0.54 C ATOM 1272 CG1 ILE A 85 12.148 1.513 -2.520 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.866 2.334 -4.165 1.00 0.57 C ATOM 1274 CD1 ILE A 85 12.177 0.124 -1.923 1.00 0.57 C ATOM 0 H ILE A 85 12.581 1.350 -6.481 1.00 0.57 H new ATOM 0 HA ILE A 85 10.470 1.609 -4.621 1.00 0.54 H new ATOM 0 HB ILE A 85 12.753 0.531 -4.332 1.00 0.54 H new ATOM 0 HG12 ILE A 85 12.812 2.160 -1.948 1.00 0.52 H new ATOM 0 HG13 ILE A 85 11.142 1.922 -2.422 1.00 0.52 H new ATOM 0 HG21 ILE A 85 14.631 1.912 -3.513 1.00 0.57 H new ATOM 0 HG22 ILE A 85 14.198 2.270 -5.201 1.00 0.57 H new ATOM 0 HG23 ILE A 85 13.699 3.378 -3.901 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.873 0.171 -0.877 1.00 0.57 H new ATOM 0 HD12 ILE A 85 11.491 -0.522 -2.471 1.00 0.57 H new ATOM 0 HD13 ILE A 85 13.187 -0.280 -1.990 1.00 0.57 H new ATOM 1286 N ARG A 86 11.865 4.467 -5.401 1.00 0.50 N ATOM 1287 CA ARG A 86 11.713 5.907 -5.247 1.00 0.50 C ATOM 1288 C ARG A 86 10.488 6.447 -5.997 1.00 0.52 C ATOM 1289 O ARG A 86 9.951 7.498 -5.633 1.00 0.53 O ATOM 1290 CB ARG A 86 12.984 6.600 -5.704 1.00 0.54 C ATOM 1291 CG ARG A 86 14.112 6.530 -4.685 1.00 1.10 C ATOM 1292 CD ARG A 86 15.298 7.385 -5.097 1.00 1.26 C ATOM 1293 NE ARG A 86 15.040 8.821 -4.921 1.00 1.79 N ATOM 1294 CZ ARG A 86 15.916 9.795 -5.206 1.00 2.08 C ATOM 1295 NH1 ARG A 86 17.126 9.516 -5.688 1.00 1.78 N ATOM 1296 NH2 ARG A 86 15.574 11.061 -5.007 1.00 2.95 N ATOM 0 H ARG A 86 12.548 4.189 -6.106 1.00 0.50 H new ATOM 0 HA ARG A 86 11.544 6.120 -4.191 1.00 0.50 H new ATOM 0 HB2 ARG A 86 13.319 6.148 -6.638 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.762 7.646 -5.918 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.745 6.861 -3.713 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.433 5.495 -4.569 1.00 1.10 H new ATOM 0 HD2 ARG A 86 16.170 7.100 -4.508 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.540 7.187 -6.141 1.00 1.26 H new ATOM 0 HE ARG A 86 14.128 9.097 -4.556 1.00 1.79 H new ATOM 0 HH11 ARG A 86 17.401 8.547 -5.847 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.778 10.272 -5.898 1.00 1.78 H new ATOM 0 HH21 ARG A 86 14.650 11.288 -4.639 1.00 2.95 H new ATOM 0 HH22 ARG A 86 16.235 11.808 -5.221 1.00 2.95 H new ATOM 1310 N GLU A 87 10.055 5.722 -7.040 1.00 0.57 N ATOM 1311 CA GLU A 87 8.863 6.096 -7.819 1.00 0.63 C ATOM 1312 C GLU A 87 7.627 5.505 -7.157 1.00 0.62 C ATOM 1313 O GLU A 87 6.532 6.070 -7.232 1.00 0.65 O ATOM 1314 CB GLU A 87 8.980 5.619 -9.269 1.00 0.73 C ATOM 1315 CG GLU A 87 10.118 6.275 -10.038 1.00 0.77 C ATOM 1316 CD GLU A 87 10.261 5.732 -11.447 1.00 1.39 C ATOM 1317 OE1 GLU A 87 9.619 6.286 -12.364 1.00 2.08 O ATOM 1318 OE2 GLU A 87 11.015 4.754 -11.632 1.00 2.02 O ATOM 0 H GLU A 87 10.514 4.871 -7.365 1.00 0.57 H new ATOM 0 HA GLU A 87 8.779 7.183 -7.838 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.123 4.539 -9.276 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.041 5.820 -9.785 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.948 7.351 -10.083 1.00 0.77 H new ATOM 0 HG3 GLU A 87 11.052 6.122 -9.497 1.00 0.77 H new ATOM 1325 N ALA A 88 7.832 4.349 -6.509 1.00 0.60 N ATOM 1326 CA ALA A 88 6.798 3.674 -5.724 1.00 0.62 C ATOM 1327 C ALA A 88 6.531 4.502 -4.474 1.00 0.55 C ATOM 1328 O ALA A 88 5.526 4.322 -3.790 1.00 0.56 O ATOM 1329 CB ALA A 88 7.216 2.256 -5.384 1.00 0.70 C ATOM 0 H ALA A 88 8.725 3.857 -6.517 1.00 0.60 H new ATOM 0 HA ALA A 88 5.878 3.594 -6.304 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.431 1.775 -4.800 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.380 1.695 -6.304 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.138 2.278 -4.803 1.00 0.70 H new ATOM 1335 N PHE A 89 7.495 5.393 -4.183 1.00 0.51 N ATOM 1336 CA PHE A 89 7.403 6.335 -3.074 1.00 0.49 C ATOM 1337 C PHE A 89 6.515 7.499 -3.465 1.00 0.47 C ATOM 1338 O PHE A 89 5.706 7.970 -2.660 1.00 0.47 O ATOM 1339 CB PHE A 89 8.753 6.945 -2.712 1.00 0.51 C ATOM 1340 CG PHE A 89 8.862 7.246 -1.247 1.00 0.53 C ATOM 1341 CD1 PHE A 89 8.449 8.469 -0.750 1.00 1.27 C ATOM 1342 CD2 PHE A 89 9.339 6.297 -0.370 1.00 1.19 C ATOM 1343 CE1 PHE A 89 8.509 8.738 0.601 1.00 1.29 C ATOM 1344 CE2 PHE A 89 9.411 6.561 0.979 1.00 1.22 C ATOM 1345 CZ PHE A 89 8.992 7.780 1.468 1.00 0.65 C ATOM 0 H PHE A 89 8.360 5.473 -4.718 1.00 0.51 H new ATOM 0 HA PHE A 89 7.011 5.770 -2.228 1.00 0.49 H new ATOM 0 HB2 PHE A 89 9.549 6.259 -3.001 1.00 0.51 H new ATOM 0 HB3 PHE A 89 8.900 7.862 -3.282 1.00 0.51 H new ATOM 0 HD1 PHE A 89 8.075 9.222 -1.428 1.00 1.27 H new ATOM 0 HD2 PHE A 89 9.660 5.336 -0.745 1.00 1.19 H new ATOM 0 HE1 PHE A 89 8.179 9.695 0.979 1.00 1.29 H new ATOM 0 HE2 PHE A 89 9.796 5.812 1.655 1.00 1.22 H new ATOM 0 HZ PHE A 89 9.042 7.984 2.527 1.00 0.65 H new ATOM 1355 N ARG A 90 6.682 7.964 -4.724 1.00 0.50 N ATOM 1356 CA ARG A 90 5.916 9.095 -5.232 1.00 0.54 C ATOM 1357 C ARG A 90 4.408 8.804 -5.208 1.00 0.54 C ATOM 1358 O ARG A 90 3.574 9.709 -5.296 1.00 0.60 O ATOM 1359 CB ARG A 90 6.366 9.442 -6.651 1.00 0.62 C ATOM 1360 CG ARG A 90 6.417 10.933 -6.932 1.00 1.26 C ATOM 1361 CD ARG A 90 6.397 11.208 -8.424 1.00 1.50 C ATOM 1362 NE ARG A 90 6.440 12.644 -8.722 1.00 2.03 N ATOM 1363 CZ ARG A 90 6.300 13.175 -9.945 1.00 2.50 C ATOM 1364 NH1 ARG A 90 6.105 12.403 -11.013 1.00 2.61 N ATOM 1365 NH2 ARG A 90 6.356 14.491 -10.098 1.00 3.17 N ATOM 0 H ARG A 90 7.340 7.567 -5.394 1.00 0.50 H new ATOM 0 HA ARG A 90 6.103 9.948 -4.580 1.00 0.54 H new ATOM 0 HB2 ARG A 90 7.354 9.016 -6.823 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.688 8.971 -7.362 1.00 0.62 H new ATOM 0 HG2 ARG A 90 5.568 11.425 -6.457 1.00 1.26 H new ATOM 0 HG3 ARG A 90 7.319 11.359 -6.493 1.00 1.26 H new ATOM 0 HD2 ARG A 90 7.248 10.715 -8.894 1.00 1.50 H new ATOM 0 HD3 ARG A 90 5.497 10.775 -8.860 1.00 1.50 H new ATOM 0 HE ARG A 90 6.587 13.285 -7.942 1.00 2.03 H new ATOM 0 HH11 ARG A 90 6.060 11.389 -10.908 1.00 2.61 H new ATOM 0 HH12 ARG A 90 6.001 12.826 -11.935 1.00 2.61 H new ATOM 0 HH21 ARG A 90 6.505 15.093 -9.288 1.00 3.17 H new ATOM 0 HH22 ARG A 90 6.250 14.902 -11.026 1.00 3.17 H new ATOM 1379 N VAL A 91 4.106 7.510 -5.087 1.00 0.51 N ATOM 1380 CA VAL A 91 2.758 6.963 -5.006 1.00 0.53 C ATOM 1381 C VAL A 91 1.923 7.636 -3.888 1.00 0.54 C ATOM 1382 O VAL A 91 0.764 8.005 -4.096 1.00 0.60 O ATOM 1383 CB VAL A 91 2.893 5.426 -4.770 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.742 5.028 -3.303 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.944 4.653 -5.660 1.00 0.59 C ATOM 0 H VAL A 91 4.826 6.789 -5.041 1.00 0.51 H new ATOM 0 HA VAL A 91 2.221 7.162 -5.934 1.00 0.53 H new ATOM 0 HB VAL A 91 3.913 5.158 -5.047 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.846 3.947 -3.207 1.00 0.47 H new ATOM 0 HG12 VAL A 91 3.513 5.521 -2.711 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.759 5.331 -2.943 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.060 3.585 -5.474 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.918 4.950 -5.443 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.170 4.866 -6.705 1.00 0.59 H new ATOM 1395 N PHE A 92 2.553 7.776 -2.716 1.00 0.49 N ATOM 1396 CA PHE A 92 1.950 8.373 -1.541 1.00 0.54 C ATOM 1397 C PHE A 92 2.571 9.747 -1.284 1.00 0.60 C ATOM 1398 O PHE A 92 1.890 10.676 -0.842 1.00 0.69 O ATOM 1399 CB PHE A 92 2.120 7.399 -0.341 1.00 0.53 C ATOM 1400 CG PHE A 92 1.765 7.893 1.058 1.00 1.18 C ATOM 1401 CD1 PHE A 92 0.868 8.933 1.281 1.00 1.94 C ATOM 1402 CD2 PHE A 92 2.340 7.277 2.159 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.564 9.344 2.562 1.00 2.69 C ATOM 1404 CE2 PHE A 92 2.038 7.687 3.443 1.00 2.68 C ATOM 1405 CZ PHE A 92 1.149 8.722 3.644 1.00 2.89 C ATOM 0 H PHE A 92 3.514 7.469 -2.565 1.00 0.49 H new ATOM 0 HA PHE A 92 0.882 8.534 -1.689 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.514 6.516 -0.544 1.00 0.53 H new ATOM 0 HB3 PHE A 92 3.160 7.075 -0.323 1.00 0.53 H new ATOM 0 HD1 PHE A 92 0.403 9.425 0.439 1.00 1.94 H new ATOM 0 HD2 PHE A 92 3.035 6.464 2.010 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -0.133 10.154 2.717 1.00 2.69 H new ATOM 0 HE2 PHE A 92 2.498 7.197 4.289 1.00 2.68 H new ATOM 0 HZ PHE A 92 0.912 9.044 4.647 1.00 2.89 H new ATOM 1415 N ALA A 93 3.869 9.861 -1.588 1.00 0.57 N ATOM 1416 CA ALA A 93 4.619 11.113 -1.402 1.00 0.66 C ATOM 1417 C ALA A 93 4.042 12.283 -2.217 1.00 0.85 C ATOM 1418 O ALA A 93 3.686 13.317 -1.647 1.00 1.63 O ATOM 1419 CB ALA A 93 6.094 10.906 -1.732 1.00 0.65 C ATOM 0 H ALA A 93 4.427 9.096 -1.967 1.00 0.57 H new ATOM 0 HA ALA A 93 4.520 11.385 -0.351 1.00 0.66 H new ATOM 0 HB1 ALA A 93 6.634 11.842 -1.589 1.00 0.65 H new ATOM 0 HB2 ALA A 93 6.510 10.143 -1.074 1.00 0.65 H new ATOM 0 HB3 ALA A 93 6.193 10.585 -2.769 1.00 0.65 H new ATOM 1425 N LYS A 94 3.945 12.107 -3.556 1.00 1.24 N ATOM 1426 CA LYS A 94 3.415 13.136 -4.494 1.00 1.42 C ATOM 1427 C LYS A 94 4.226 14.444 -4.513 1.00 1.36 C ATOM 1428 O LYS A 94 3.990 15.309 -5.363 1.00 1.78 O ATOM 1429 CB LYS A 94 1.936 13.442 -4.203 1.00 1.75 C ATOM 1430 CG LYS A 94 0.987 12.344 -4.660 1.00 2.06 C ATOM 1431 CD LYS A 94 0.442 12.620 -6.055 1.00 2.52 C ATOM 1432 CE LYS A 94 -0.577 11.575 -6.473 1.00 2.90 C ATOM 1433 NZ LYS A 94 -1.153 11.867 -7.814 1.00 3.37 N ATOM 0 H LYS A 94 4.232 11.246 -4.022 1.00 1.24 H new ATOM 0 HA LYS A 94 3.512 12.695 -5.486 1.00 1.42 H new ATOM 0 HB2 LYS A 94 1.810 13.598 -3.132 1.00 1.75 H new ATOM 0 HB3 LYS A 94 1.663 14.375 -4.695 1.00 1.75 H new ATOM 0 HG2 LYS A 94 1.508 11.387 -4.655 1.00 2.06 H new ATOM 0 HG3 LYS A 94 0.160 12.261 -3.955 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -0.018 13.608 -6.078 1.00 2.52 H new ATOM 0 HD3 LYS A 94 1.264 12.635 -6.771 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -0.105 10.593 -6.487 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -1.378 11.533 -5.735 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -1.938 11.212 -8.005 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -1.506 12.845 -7.835 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -0.418 11.748 -8.541 1.00 3.37 H new ATOM 1447 N ASP A 95 5.179 14.575 -3.587 1.00 1.40 N ATOM 1448 CA ASP A 95 6.032 15.764 -3.500 1.00 1.71 C ATOM 1449 C ASP A 95 7.229 15.655 -4.454 1.00 1.53 C ATOM 1450 O ASP A 95 8.031 16.589 -4.566 1.00 1.84 O ATOM 1451 CB ASP A 95 6.522 15.962 -2.060 1.00 2.30 C ATOM 1452 CG ASP A 95 5.411 16.397 -1.120 1.00 2.81 C ATOM 1453 OD1 ASP A 95 5.220 17.620 -0.954 1.00 3.23 O ATOM 1454 OD2 ASP A 95 4.734 15.515 -0.553 1.00 3.21 O ATOM 0 H ASP A 95 5.381 13.866 -2.881 1.00 1.40 H new ATOM 0 HA ASP A 95 5.438 16.629 -3.796 1.00 1.71 H new ATOM 0 HB2 ASP A 95 6.957 15.031 -1.697 1.00 2.30 H new ATOM 0 HB3 ASP A 95 7.315 16.709 -2.050 1.00 2.30 H new ATOM 1459 N GLY A 96 7.327 14.507 -5.145 1.00 1.38 N ATOM 1460 CA GLY A 96 8.422 14.270 -6.086 1.00 1.83 C ATOM 1461 C GLY A 96 9.709 13.805 -5.413 1.00 1.85 C ATOM 1462 O GLY A 96 10.691 13.502 -6.096 1.00 2.43 O ATOM 0 H GLY A 96 6.663 13.736 -5.067 1.00 1.38 H new ATOM 0 HA2 GLY A 96 8.110 13.521 -6.814 1.00 1.83 H new ATOM 0 HA3 GLY A 96 8.621 15.188 -6.639 1.00 1.83 H new ATOM 1466 N ASN A 97 9.696 13.752 -4.071 1.00 1.55 N ATOM 1467 CA ASN A 97 10.848 13.335 -3.282 1.00 1.99 C ATOM 1468 C ASN A 97 10.397 12.590 -2.028 1.00 1.78 C ATOM 1469 O ASN A 97 10.932 11.526 -1.711 1.00 2.66 O ATOM 1470 CB ASN A 97 11.719 14.540 -2.897 1.00 2.43 C ATOM 1471 CG ASN A 97 12.501 15.094 -4.073 1.00 3.41 C ATOM 1472 OD1 ASN A 97 12.026 15.975 -4.790 1.00 4.01 O ATOM 1473 ND2 ASN A 97 13.708 14.580 -4.277 1.00 4.00 N ATOM 0 H ASN A 97 8.881 13.999 -3.510 1.00 1.55 H new ATOM 0 HA ASN A 97 11.447 12.662 -3.895 1.00 1.99 H new ATOM 0 HB2 ASN A 97 11.085 15.325 -2.485 1.00 2.43 H new ATOM 0 HB3 ASN A 97 12.413 14.245 -2.110 1.00 2.43 H new ATOM 0 HD21 ASN A 97 14.280 14.914 -5.052 1.00 4.00 H new ATOM 0 HD22 ASN A 97 14.063 13.851 -3.658 1.00 4.00 H new ATOM 1480 N GLY A 98 9.402 13.157 -1.331 1.00 1.20 N ATOM 1481 CA GLY A 98 8.871 12.539 -0.128 1.00 1.80 C ATOM 1482 C GLY A 98 9.252 13.257 1.153 1.00 1.46 C ATOM 1483 O GLY A 98 10.360 13.094 1.656 1.00 1.68 O ATOM 0 H GLY A 98 8.957 14.039 -1.586 1.00 1.20 H new ATOM 0 HA2 GLY A 98 7.784 12.500 -0.201 1.00 1.80 H new ATOM 0 HA3 GLY A 98 9.224 11.509 -0.074 1.00 1.80 H new ATOM 1487 N TYR A 99 8.309 14.058 1.657 1.00 1.07 N ATOM 1488 CA TYR A 99 8.455 14.818 2.915 1.00 0.84 C ATOM 1489 C TYR A 99 7.107 14.765 3.658 1.00 0.81 C ATOM 1490 O TYR A 99 6.868 15.496 4.626 1.00 0.96 O ATOM 1491 CB TYR A 99 8.826 16.294 2.646 1.00 1.07 C ATOM 1492 CG TYR A 99 9.849 16.521 1.548 1.00 1.57 C ATOM 1493 CD1 TYR A 99 9.444 16.805 0.250 1.00 2.28 C ATOM 1494 CD2 TYR A 99 11.211 16.462 1.811 1.00 2.37 C ATOM 1495 CE1 TYR A 99 10.367 17.022 -0.755 1.00 3.13 C ATOM 1496 CE2 TYR A 99 12.141 16.677 0.812 1.00 3.24 C ATOM 1497 CZ TYR A 99 11.714 16.957 -0.469 1.00 3.46 C ATOM 1498 OH TYR A 99 12.636 17.173 -1.467 1.00 4.47 O ATOM 0 H TYR A 99 7.408 14.203 1.201 1.00 1.07 H new ATOM 0 HA TYR A 99 9.256 14.375 3.508 1.00 0.84 H new ATOM 0 HB2 TYR A 99 7.917 16.838 2.390 1.00 1.07 H new ATOM 0 HB3 TYR A 99 9.208 16.729 3.570 1.00 1.07 H new ATOM 0 HD1 TYR A 99 8.390 16.857 0.022 1.00 2.28 H new ATOM 0 HD2 TYR A 99 11.549 16.244 2.813 1.00 2.37 H new ATOM 0 HE1 TYR A 99 10.035 17.241 -1.759 1.00 3.13 H new ATOM 0 HE2 TYR A 99 13.197 16.626 1.033 1.00 3.24 H new ATOM 0 HH TYR A 99 13.541 17.092 -1.099 1.00 4.47 H new ATOM 1508 N ILE A 100 6.246 13.850 3.182 1.00 1.17 N ATOM 1509 CA ILE A 100 4.870 13.653 3.678 1.00 1.39 C ATOM 1510 C ILE A 100 4.764 13.145 5.125 1.00 1.13 C ATOM 1511 O ILE A 100 5.279 12.082 5.472 1.00 1.43 O ATOM 1512 CB ILE A 100 4.076 12.690 2.750 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.877 11.398 2.465 1.00 2.36 C ATOM 1514 CG2 ILE A 100 3.709 13.404 1.448 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.018 10.185 2.177 1.00 3.08 C ATOM 0 H ILE A 100 6.491 13.212 2.425 1.00 1.17 H new ATOM 0 HA ILE A 100 4.437 14.653 3.668 1.00 1.39 H new ATOM 0 HB ILE A 100 3.158 12.398 3.261 1.00 2.12 H new ATOM 0 HG12 ILE A 100 5.536 11.573 1.614 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.514 11.182 3.323 1.00 2.36 H new ATOM 0 HG21 ILE A 100 3.153 12.723 0.804 1.00 2.84 H new ATOM 0 HG22 ILE A 100 3.093 14.275 1.672 1.00 2.84 H new ATOM 0 HG23 ILE A 100 4.619 13.723 0.939 1.00 2.84 H new ATOM 0 HD11 ILE A 100 4.658 9.323 1.988 1.00 3.08 H new ATOM 0 HD12 ILE A 100 3.378 9.981 3.035 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.400 10.377 1.300 1.00 3.08 H new ATOM 1527 N SER A 101 4.033 13.920 5.933 1.00 0.79 N ATOM 1528 CA SER A 101 3.765 13.642 7.327 1.00 0.64 C ATOM 1529 C SER A 101 3.125 12.292 7.545 1.00 0.64 C ATOM 1530 O SER A 101 2.482 11.724 6.657 1.00 0.70 O ATOM 1531 CB SER A 101 2.871 14.750 7.902 1.00 0.71 C ATOM 1532 OG SER A 101 2.765 14.653 9.314 1.00 1.45 O ATOM 0 H SER A 101 3.601 14.787 5.612 1.00 0.79 H new ATOM 0 HA SER A 101 4.723 13.619 7.846 1.00 0.64 H new ATOM 0 HB2 SER A 101 3.279 15.724 7.633 1.00 0.71 H new ATOM 0 HB3 SER A 101 1.878 14.686 7.456 1.00 0.71 H new ATOM 0 HG SER A 101 2.191 15.373 9.649 1.00 1.45 H new ATOM 1538 N ALA A 102 3.329 11.806 8.761 1.00 0.72 N ATOM 1539 CA ALA A 102 2.795 10.552 9.232 1.00 0.83 C ATOM 1540 C ALA A 102 1.277 10.644 9.344 1.00 0.77 C ATOM 1541 O ALA A 102 0.577 9.636 9.455 1.00 0.87 O ATOM 1542 CB ALA A 102 3.421 10.267 10.574 1.00 1.01 C ATOM 0 H ALA A 102 3.888 12.293 9.462 1.00 0.72 H new ATOM 0 HA ALA A 102 3.024 9.744 8.537 1.00 0.83 H new ATOM 0 HB1 ALA A 102 3.038 9.323 10.961 1.00 1.01 H new ATOM 0 HB2 ALA A 102 4.504 10.202 10.464 1.00 1.01 H new ATOM 0 HB3 ALA A 102 3.174 11.070 11.268 1.00 1.01 H new ATOM 1548 N ALA A 103 0.798 11.892 9.286 1.00 0.68 N ATOM 1549 CA ALA A 103 -0.633 12.200 9.381 1.00 0.71 C ATOM 1550 C ALA A 103 -1.343 12.034 8.032 1.00 0.64 C ATOM 1551 O ALA A 103 -2.573 11.945 7.980 1.00 0.71 O ATOM 1552 CB ALA A 103 -0.831 13.616 9.903 1.00 0.84 C ATOM 0 H ALA A 103 1.390 12.715 9.172 1.00 0.68 H new ATOM 0 HA ALA A 103 -1.077 11.490 10.079 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -1.897 13.834 9.969 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -0.380 13.706 10.891 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -0.358 14.324 9.223 1.00 0.84 H new ATOM 1558 N GLU A 104 -0.551 11.994 6.948 1.00 0.59 N ATOM 1559 CA GLU A 104 -1.072 11.865 5.586 1.00 0.69 C ATOM 1560 C GLU A 104 -1.605 10.469 5.255 1.00 0.67 C ATOM 1561 O GLU A 104 -2.366 10.322 4.294 1.00 0.74 O ATOM 1562 CB GLU A 104 -0.033 12.295 4.570 1.00 0.85 C ATOM 1563 CG GLU A 104 0.262 13.785 4.616 1.00 0.99 C ATOM 1564 CD GLU A 104 1.086 14.276 3.440 1.00 1.24 C ATOM 1565 OE1 GLU A 104 2.163 14.859 3.677 1.00 1.81 O ATOM 1566 OE2 GLU A 104 0.651 14.087 2.283 1.00 1.65 O ATOM 0 H GLU A 104 0.466 12.050 6.996 1.00 0.59 H new ATOM 0 HA GLU A 104 -1.931 12.534 5.532 1.00 0.69 H new ATOM 0 HB2 GLU A 104 0.890 11.742 4.746 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -0.378 12.029 3.571 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -0.680 14.333 4.643 1.00 0.99 H new ATOM 0 HG3 GLU A 104 0.791 14.014 5.541 1.00 0.99 H new ATOM 1573 N LEU A 105 -1.211 9.438 6.035 1.00 0.68 N ATOM 1574 CA LEU A 105 -1.697 8.068 5.803 1.00 0.80 C ATOM 1575 C LEU A 105 -3.198 7.952 5.919 1.00 0.68 C ATOM 1576 O LEU A 105 -3.824 7.076 5.313 1.00 0.69 O ATOM 1577 CB LEU A 105 -1.056 7.096 6.754 1.00 1.07 C ATOM 1578 CG LEU A 105 0.127 6.366 6.163 1.00 1.38 C ATOM 1579 CD1 LEU A 105 1.268 6.414 7.129 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -0.248 4.940 5.841 1.00 1.81 C ATOM 0 H LEU A 105 -0.566 9.530 6.820 1.00 0.68 H new ATOM 0 HA LEU A 105 -1.416 7.823 4.779 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -0.733 7.632 7.646 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -1.801 6.367 7.072 1.00 1.07 H new ATOM 0 HG LEU A 105 0.430 6.850 5.235 1.00 1.38 H new ATOM 0 HD11 LEU A 105 2.124 5.888 6.707 1.00 1.58 H new ATOM 0 HD12 LEU A 105 1.538 7.452 7.321 1.00 1.58 H new ATOM 0 HD13 LEU A 105 0.974 5.936 8.064 1.00 1.58 H new ATOM 0 HD21 LEU A 105 0.613 4.425 5.416 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -0.561 4.431 6.753 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -1.067 4.933 5.122 1.00 1.81 H new ATOM 1592 N ARG A 106 -3.747 8.849 6.704 1.00 0.65 N ATOM 1593 CA ARG A 106 -5.167 8.934 6.935 1.00 0.68 C ATOM 1594 C ARG A 106 -5.849 9.599 5.727 1.00 0.66 C ATOM 1595 O ARG A 106 -7.052 9.414 5.516 1.00 0.74 O ATOM 1596 CB ARG A 106 -5.356 9.691 8.255 1.00 0.79 C ATOM 1597 CG ARG A 106 -6.522 10.676 8.320 1.00 0.97 C ATOM 1598 CD ARG A 106 -6.512 11.466 9.619 1.00 1.46 C ATOM 1599 NE ARG A 106 -7.622 12.423 9.688 1.00 1.70 N ATOM 1600 CZ ARG A 106 -7.717 13.420 10.580 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -6.772 13.615 11.498 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -8.768 14.227 10.550 1.00 2.39 N ATOM 0 H ARG A 106 -3.208 9.553 7.209 1.00 0.65 H new ATOM 0 HA ARG A 106 -5.639 7.956 7.030 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -5.484 8.959 9.052 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -4.437 10.237 8.469 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.467 11.362 7.475 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -7.463 10.134 8.230 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -6.573 10.778 10.462 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -5.566 12.000 9.711 1.00 1.46 H new ATOM 0 HE ARG A 106 -8.376 12.323 9.008 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -5.958 13.001 11.531 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -6.862 14.379 12.168 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -9.498 14.088 9.852 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.847 14.987 11.225 1.00 2.39 H new ATOM 1616 N HIS A 107 -5.068 10.374 4.938 1.00 0.67 N ATOM 1617 CA HIS A 107 -5.604 11.021 3.740 1.00 0.82 C ATOM 1618 C HIS A 107 -5.587 10.082 2.526 1.00 0.87 C ATOM 1619 O HIS A 107 -6.530 10.105 1.733 1.00 1.00 O ATOM 1620 CB HIS A 107 -4.829 12.308 3.437 1.00 0.94 C ATOM 1621 CG HIS A 107 -5.637 13.350 2.721 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -6.196 14.438 3.357 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -5.976 13.466 1.414 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -6.845 15.177 2.474 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -6.725 14.609 1.289 1.00 1.46 N ATOM 0 H HIS A 107 -4.080 10.558 5.114 1.00 0.67 H new ATOM 0 HA HIS A 107 -6.645 11.274 3.940 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -4.461 12.728 4.373 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -3.956 12.061 2.833 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.707 12.786 0.619 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -7.382 16.090 2.686 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.125 14.963 0.420 1.00 1.46 H new ATOM 1634 N VAL A 108 -4.526 9.262 2.373 1.00 0.90 N ATOM 1635 CA VAL A 108 -4.447 8.316 1.248 1.00 1.11 C ATOM 1636 C VAL A 108 -5.409 7.136 1.417 1.00 0.96 C ATOM 1637 O VAL A 108 -5.758 6.477 0.432 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.020 7.772 0.937 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.277 8.734 0.025 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.196 7.486 2.190 1.00 0.86 C ATOM 0 H VAL A 108 -3.726 9.237 3.005 1.00 0.90 H new ATOM 0 HA VAL A 108 -4.744 8.921 0.391 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.156 6.816 0.432 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.282 8.342 -0.184 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -2.826 8.847 -0.910 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.189 9.704 0.514 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.214 7.110 1.902 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.079 8.404 2.766 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -2.706 6.739 2.798 1.00 0.86 H new ATOM 1650 N MET A 109 -5.835 6.872 2.667 1.00 0.88 N ATOM 1651 CA MET A 109 -6.776 5.782 2.941 1.00 0.80 C ATOM 1652 C MET A 109 -8.202 6.216 2.606 1.00 0.72 C ATOM 1653 O MET A 109 -8.975 5.437 2.050 1.00 0.73 O ATOM 1654 CB MET A 109 -6.631 5.255 4.399 1.00 0.80 C ATOM 1655 CG MET A 109 -7.264 6.135 5.471 1.00 1.72 C ATOM 1656 SD MET A 109 -6.871 5.589 7.144 1.00 2.24 S ATOM 1657 CE MET A 109 -7.930 6.664 8.110 1.00 3.24 C ATOM 0 H MET A 109 -5.543 7.396 3.492 1.00 0.88 H new ATOM 0 HA MET A 109 -6.534 4.940 2.293 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.077 4.262 4.456 1.00 0.80 H new ATOM 0 HB3 MET A 109 -5.571 5.141 4.624 1.00 0.80 H new ATOM 0 HG2 MET A 109 -6.923 7.162 5.339 1.00 1.72 H new ATOM 0 HG3 MET A 109 -8.346 6.139 5.340 1.00 1.72 H new ATOM 0 HE1 MET A 109 -7.616 6.642 9.154 1.00 3.24 H new ATOM 0 HE2 MET A 109 -7.857 7.683 7.731 1.00 3.24 H new ATOM 0 HE3 MET A 109 -8.962 6.322 8.034 1.00 3.24 H new ATOM 1667 N THR A 110 -8.517 7.476 2.912 1.00 0.72 N ATOM 1668 CA THR A 110 -9.833 8.045 2.612 1.00 0.77 C ATOM 1669 C THR A 110 -9.831 8.548 1.167 1.00 0.89 C ATOM 1670 O THR A 110 -10.894 8.779 0.584 1.00 0.97 O ATOM 1671 CB THR A 110 -10.207 9.183 3.595 1.00 0.83 C ATOM 1672 OG1 THR A 110 -9.824 8.822 4.929 1.00 0.78 O ATOM 1673 CG2 THR A 110 -11.705 9.482 3.573 1.00 0.97 C ATOM 0 H THR A 110 -7.876 8.124 3.369 1.00 0.72 H new ATOM 0 HA THR A 110 -10.590 7.270 2.733 1.00 0.77 H new ATOM 0 HB THR A 110 -9.672 10.078 3.276 1.00 0.83 H new ATOM 0 HG1 THR A 110 -8.884 9.058 5.074 1.00 0.78 H new ATOM 0 HG21 THR A 110 -11.926 10.285 4.276 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.001 9.786 2.569 1.00 0.97 H new ATOM 0 HG23 THR A 110 -12.259 8.588 3.859 1.00 0.97 H new ATOM 1681 N ASN A 111 -8.614 8.734 0.602 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.461 9.100 -0.811 1.00 1.14 C ATOM 1683 C ASN A 111 -9.039 7.938 -1.622 1.00 1.13 C ATOM 1684 O ASN A 111 -9.575 8.121 -2.718 1.00 1.24 O ATOM 1685 CB ASN A 111 -6.988 9.348 -1.163 1.00 1.26 C ATOM 1686 CG ASN A 111 -6.806 10.060 -2.494 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.769 11.289 -2.554 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.693 9.288 -3.568 1.00 1.85 N ATOM 0 H ASN A 111 -7.733 8.635 1.107 1.00 0.96 H new ATOM 0 HA ASN A 111 -8.985 10.029 -1.034 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.527 9.942 -0.374 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.462 8.394 -1.193 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.570 9.710 -4.489 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.729 8.273 -3.473 1.00 1.85 H new ATOM 1695 N LEU A 112 -8.901 6.732 -1.032 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.484 5.513 -1.573 1.00 1.04 C ATOM 1697 C LEU A 112 -10.882 5.363 -0.954 1.00 0.95 C ATOM 1698 O LEU A 112 -11.736 4.634 -1.467 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.618 4.289 -1.232 1.00 1.07 C ATOM 1700 CG LEU A 112 -7.178 4.316 -1.768 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -6.256 3.532 -0.847 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -7.115 3.750 -3.180 1.00 1.54 C ATOM 0 H LEU A 112 -8.380 6.589 -0.167 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.543 5.574 -2.660 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.580 4.186 -0.148 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -9.113 3.399 -1.620 1.00 1.07 H new ATOM 0 HG LEU A 112 -6.846 5.354 -1.799 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -5.240 3.560 -1.240 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -6.273 3.976 0.148 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -6.594 2.497 -0.789 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -6.086 3.779 -3.538 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -7.468 2.719 -3.175 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -7.746 4.346 -3.839 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.076 6.087 0.174 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.343 6.108 0.900 1.00 0.82 C ATOM 1716 C GLY A 113 -12.521 4.946 1.846 1.00 0.76 C ATOM 1717 O GLY A 113 -13.641 4.489 2.091 1.00 0.82 O ATOM 0 H GLY A 113 -10.352 6.668 0.596 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.413 7.038 1.464 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.163 6.109 0.182 1.00 0.82 H new ATOM 1721 N GLU A 114 -11.398 4.482 2.367 1.00 0.70 N ATOM 1722 CA GLU A 114 -11.331 3.355 3.288 1.00 0.70 C ATOM 1723 C GLU A 114 -12.058 3.627 4.592 1.00 0.73 C ATOM 1724 O GLU A 114 -12.030 4.744 5.119 1.00 0.73 O ATOM 1725 CB GLU A 114 -9.885 3.059 3.613 1.00 0.70 C ATOM 1726 CG GLU A 114 -9.169 2.247 2.546 1.00 0.79 C ATOM 1727 CD GLU A 114 -7.728 1.946 2.910 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -7.482 0.896 3.540 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -6.846 2.761 2.565 1.00 2.12 O ATOM 0 H GLU A 114 -10.485 4.886 2.158 1.00 0.70 H new ATOM 0 HA GLU A 114 -11.813 2.511 2.795 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -9.355 4.000 3.756 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -9.838 2.520 4.559 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -9.703 1.310 2.388 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -9.195 2.791 1.602 1.00 0.79 H new ATOM 1736 N LYS A 115 -12.703 2.585 5.089 1.00 0.82 N ATOM 1737 CA LYS A 115 -13.445 2.639 6.301 1.00 0.92 C ATOM 1738 C LYS A 115 -12.770 1.814 7.378 1.00 1.06 C ATOM 1739 O LYS A 115 -12.720 0.579 7.315 1.00 1.21 O ATOM 1740 CB LYS A 115 -14.849 2.156 6.062 1.00 1.04 C ATOM 1741 CG LYS A 115 -15.608 2.974 5.018 1.00 1.05 C ATOM 1742 CD LYS A 115 -16.662 2.141 4.293 1.00 1.31 C ATOM 1743 CE LYS A 115 -16.128 1.558 2.987 1.00 1.23 C ATOM 1744 NZ LYS A 115 -16.020 2.588 1.915 1.00 1.56 N ATOM 0 H LYS A 115 -12.715 1.669 4.640 1.00 0.82 H new ATOM 0 HA LYS A 115 -13.483 3.673 6.645 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -14.816 1.115 5.742 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -15.399 2.183 7.003 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -16.088 3.824 5.503 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -14.903 3.378 4.292 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -16.995 1.331 4.943 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -17.534 2.761 4.084 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -15.148 1.114 3.163 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -16.786 0.756 2.653 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -15.953 2.120 0.989 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -16.862 3.199 1.934 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -15.169 3.165 2.073 1.00 1.56 H new ATOM 1758 N LEU A 116 -12.242 2.525 8.348 1.00 1.10 N ATOM 1759 CA LEU A 116 -11.526 1.927 9.469 1.00 1.28 C ATOM 1760 C LEU A 116 -11.975 2.534 10.794 1.00 1.19 C ATOM 1761 O LEU A 116 -12.608 3.595 10.814 1.00 1.19 O ATOM 1762 CB LEU A 116 -10.012 2.112 9.277 1.00 1.54 C ATOM 1763 CG LEU A 116 -9.337 1.102 8.340 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -8.122 1.728 7.673 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -8.932 -0.156 9.099 1.00 3.12 C ATOM 0 H LEU A 116 -12.294 3.543 8.388 1.00 1.10 H new ATOM 0 HA LEU A 116 -11.755 0.862 9.497 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -9.832 3.116 8.891 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -9.530 2.054 10.253 1.00 1.54 H new ATOM 0 HG LEU A 116 -10.055 0.821 7.570 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -7.654 0.999 7.011 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -8.433 2.597 7.093 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -7.407 2.037 8.436 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -8.456 -0.857 8.414 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -8.233 0.107 9.893 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -9.817 -0.619 9.534 1.00 3.12 H new ATOM 1777 N THR A 117 -11.642 1.855 11.899 1.00 1.15 N ATOM 1778 CA THR A 117 -11.971 2.342 13.238 1.00 1.08 C ATOM 1779 C THR A 117 -10.870 3.299 13.708 1.00 0.99 C ATOM 1780 O THR A 117 -9.744 3.248 13.202 1.00 0.98 O ATOM 1781 CB THR A 117 -12.134 1.186 14.259 1.00 1.04 C ATOM 1782 OG1 THR A 117 -12.582 -0.004 13.595 1.00 1.34 O ATOM 1783 CG2 THR A 117 -13.136 1.553 15.349 1.00 1.40 C ATOM 0 H THR A 117 -11.144 0.965 11.888 1.00 1.15 H new ATOM 0 HA THR A 117 -12.928 2.860 13.182 1.00 1.08 H new ATOM 0 HB THR A 117 -11.161 1.010 14.717 1.00 1.04 H new ATOM 0 HG1 THR A 117 -12.832 -0.677 14.262 1.00 1.34 H new ATOM 0 HG21 THR A 117 -13.230 0.724 16.051 1.00 1.40 H new ATOM 0 HG22 THR A 117 -12.788 2.440 15.879 1.00 1.40 H new ATOM 0 HG23 THR A 117 -14.106 1.758 14.897 1.00 1.40 H new ATOM 1791 N ASP A 118 -11.197 4.163 14.675 1.00 1.00 N ATOM 1792 CA ASP A 118 -10.241 5.150 15.201 1.00 1.00 C ATOM 1793 C ASP A 118 -9.008 4.483 15.830 1.00 0.90 C ATOM 1794 O ASP A 118 -7.886 4.967 15.657 1.00 0.96 O ATOM 1795 CB ASP A 118 -10.934 6.058 16.225 1.00 1.07 C ATOM 1796 CG ASP A 118 -10.292 7.432 16.323 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -9.368 7.598 17.147 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -10.715 8.339 15.577 1.00 2.05 O ATOM 0 H ASP A 118 -12.118 4.201 15.112 1.00 1.00 H new ATOM 0 HA ASP A 118 -9.892 5.749 14.360 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -11.983 6.171 15.952 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -10.909 5.579 17.204 1.00 1.07 H new ATOM 1803 N GLU A 119 -9.229 3.378 16.553 1.00 0.82 N ATOM 1804 CA GLU A 119 -8.149 2.648 17.205 1.00 0.81 C ATOM 1805 C GLU A 119 -7.540 1.569 16.315 1.00 0.77 C ATOM 1806 O GLU A 119 -6.392 1.172 16.535 1.00 0.78 O ATOM 1807 CB GLU A 119 -8.621 2.038 18.529 1.00 0.89 C ATOM 1808 CG GLU A 119 -8.821 3.057 19.641 1.00 1.11 C ATOM 1809 CD GLU A 119 -9.283 2.422 20.938 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -10.511 2.306 21.137 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -8.418 2.040 21.754 1.00 2.07 O ATOM 0 H GLU A 119 -10.154 2.973 16.698 1.00 0.82 H new ATOM 0 HA GLU A 119 -7.365 3.378 17.406 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -9.560 1.510 18.360 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -7.892 1.296 18.856 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -7.885 3.589 19.814 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -9.554 3.798 19.322 1.00 1.11 H new ATOM 1818 N GLU A 120 -8.297 1.092 15.312 1.00 0.77 N ATOM 1819 CA GLU A 120 -7.810 0.079 14.392 1.00 0.80 C ATOM 1820 C GLU A 120 -6.608 0.604 13.610 1.00 0.80 C ATOM 1821 O GLU A 120 -5.598 -0.093 13.485 1.00 0.81 O ATOM 1822 CB GLU A 120 -8.934 -0.350 13.450 1.00 0.97 C ATOM 1823 CG GLU A 120 -9.845 -1.432 14.020 1.00 1.21 C ATOM 1824 CD GLU A 120 -9.250 -2.826 13.913 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -9.482 -3.493 12.883 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -8.552 -3.248 14.859 1.00 1.93 O ATOM 0 H GLU A 120 -9.251 1.401 15.127 1.00 0.77 H new ATOM 0 HA GLU A 120 -7.485 -0.793 14.960 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -9.537 0.523 13.200 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -8.496 -0.712 12.520 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -10.052 -1.211 15.067 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -10.800 -1.409 13.495 1.00 1.21 H new ATOM 1833 N VAL A 121 -6.725 1.839 13.087 1.00 0.84 N ATOM 1834 CA VAL A 121 -5.648 2.467 12.387 1.00 0.92 C ATOM 1835 C VAL A 121 -4.684 3.160 13.349 1.00 0.88 C ATOM 1836 O VAL A 121 -3.560 3.453 12.963 1.00 0.93 O ATOM 1837 CB VAL A 121 -6.145 3.394 11.254 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -6.084 4.853 11.616 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -5.316 3.132 10.030 1.00 2.24 C ATOM 0 H VAL A 121 -7.571 2.405 13.150 1.00 0.84 H new ATOM 0 HA VAL A 121 -5.079 1.680 11.892 1.00 0.92 H new ATOM 0 HB VAL A 121 -7.196 3.169 11.072 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -6.446 5.451 10.780 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -6.708 5.037 12.491 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -5.054 5.129 11.840 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -5.652 3.777 9.218 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -4.268 3.339 10.249 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -5.425 2.089 9.733 1.00 2.24 H new ATOM 1849 N ASP A 122 -5.126 3.420 14.598 1.00 0.86 N ATOM 1850 CA ASP A 122 -4.258 4.060 15.593 1.00 0.95 C ATOM 1851 C ASP A 122 -3.191 3.080 16.083 1.00 0.84 C ATOM 1852 O ASP A 122 -2.150 3.487 16.604 1.00 0.89 O ATOM 1853 CB ASP A 122 -5.070 4.610 16.769 1.00 1.08 C ATOM 1854 CG ASP A 122 -4.406 5.805 17.431 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -3.616 5.597 18.375 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -4.678 6.947 17.004 1.00 1.76 O ATOM 0 H ASP A 122 -6.064 3.199 14.932 1.00 0.86 H new ATOM 0 HA ASP A 122 -3.760 4.902 15.112 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -6.061 4.898 16.418 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -5.211 3.822 17.509 1.00 1.08 H new ATOM 1861 N GLU A 123 -3.486 1.788 15.932 1.00 0.75 N ATOM 1862 CA GLU A 123 -2.556 0.729 16.279 1.00 0.73 C ATOM 1863 C GLU A 123 -1.655 0.442 15.097 1.00 0.65 C ATOM 1864 O GLU A 123 -0.441 0.303 15.256 1.00 0.65 O ATOM 1865 CB GLU A 123 -3.278 -0.554 16.710 1.00 0.78 C ATOM 1866 CG GLU A 123 -3.494 -0.679 18.216 1.00 0.92 C ATOM 1867 CD GLU A 123 -4.635 0.182 18.731 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -5.784 -0.309 18.758 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -4.378 1.345 19.107 1.00 1.87 O ATOM 0 H GLU A 123 -4.377 1.453 15.566 1.00 0.75 H new ATOM 0 HA GLU A 123 -1.963 1.069 17.128 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -4.246 -0.597 16.211 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -2.703 -1.414 16.365 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -3.695 -1.722 18.462 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -2.575 -0.400 18.733 1.00 0.92 H new ATOM 1876 N MET A 124 -2.266 0.370 13.901 1.00 0.63 N ATOM 1877 CA MET A 124 -1.521 0.153 12.660 1.00 0.64 C ATOM 1878 C MET A 124 -0.614 1.343 12.425 1.00 0.64 C ATOM 1879 O MET A 124 0.455 1.219 11.832 1.00 0.67 O ATOM 1880 CB MET A 124 -2.459 -0.038 11.457 1.00 0.70 C ATOM 1881 CG MET A 124 -3.446 -1.188 11.602 1.00 1.18 C ATOM 1882 SD MET A 124 -4.253 -1.610 10.045 1.00 2.12 S ATOM 1883 CE MET A 124 -5.307 -2.961 10.566 1.00 2.40 C ATOM 0 H MET A 124 -3.274 0.460 13.774 1.00 0.63 H new ATOM 0 HA MET A 124 -0.934 -0.760 12.761 1.00 0.64 H new ATOM 0 HB2 MET A 124 -3.017 0.885 11.297 1.00 0.70 H new ATOM 0 HB3 MET A 124 -1.855 -0.204 10.565 1.00 0.70 H new ATOM 0 HG2 MET A 124 -2.923 -2.064 11.985 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.203 -0.921 12.339 1.00 1.18 H new ATOM 0 HE1 MET A 124 -5.873 -3.331 9.711 1.00 2.40 H new ATOM 0 HE2 MET A 124 -4.694 -3.766 10.971 1.00 2.40 H new ATOM 0 HE3 MET A 124 -5.997 -2.609 11.333 1.00 2.40 H new ATOM 1893 N ILE A 125 -1.056 2.487 12.959 1.00 0.65 N ATOM 1894 CA ILE A 125 -0.329 3.736 12.885 1.00 0.70 C ATOM 1895 C ILE A 125 0.820 3.710 13.896 1.00 0.66 C ATOM 1896 O ILE A 125 1.899 4.240 13.636 1.00 0.68 O ATOM 1897 CB ILE A 125 -1.294 4.911 13.169 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -1.110 6.046 12.161 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -1.134 5.423 14.593 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -1.918 5.879 10.888 1.00 0.70 C ATOM 0 H ILE A 125 -1.942 2.561 13.459 1.00 0.65 H new ATOM 0 HA ILE A 125 0.090 3.870 11.888 1.00 0.70 H new ATOM 0 HB ILE A 125 -2.309 4.530 13.058 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -1.388 6.987 12.635 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -0.054 6.120 11.902 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -1.825 6.249 14.763 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -1.350 4.618 15.295 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -0.111 5.770 14.742 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -1.732 6.725 10.226 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -1.624 4.956 10.389 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -2.979 5.837 11.134 1.00 0.70 H new ATOM 1912 N ARG A 126 0.561 3.083 15.065 1.00 0.65 N ATOM 1913 CA ARG A 126 1.577 2.959 16.100 1.00 0.68 C ATOM 1914 C ARG A 126 2.553 1.866 15.767 1.00 0.64 C ATOM 1915 O ARG A 126 3.608 1.713 16.391 1.00 0.69 O ATOM 1916 CB ARG A 126 0.975 2.784 17.497 1.00 0.76 C ATOM 1917 CG ARG A 126 0.444 4.076 18.101 1.00 1.02 C ATOM 1918 CD ARG A 126 -0.006 3.882 19.543 1.00 1.07 C ATOM 1919 NE ARG A 126 1.129 3.743 20.466 1.00 1.63 N ATOM 1920 CZ ARG A 126 1.043 3.269 21.718 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -0.124 2.877 22.228 1.00 1.36 N ATOM 1922 NH2 ARG A 126 2.136 3.189 22.464 1.00 2.58 N ATOM 0 H ARG A 126 -0.338 2.663 15.301 1.00 0.65 H new ATOM 0 HA ARG A 126 2.126 3.900 16.125 1.00 0.68 H new ATOM 0 HB2 ARG A 126 0.164 2.058 17.445 1.00 0.76 H new ATOM 0 HB3 ARG A 126 1.733 2.368 18.160 1.00 0.76 H new ATOM 0 HG2 ARG A 126 1.219 4.841 18.062 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -0.393 4.439 17.505 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -0.618 4.731 19.848 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -0.636 2.995 19.609 1.00 1.07 H new ATOM 0 HE ARG A 126 2.049 4.028 20.130 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -0.972 2.935 21.664 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -0.169 2.519 23.182 1.00 1.36 H new ATOM 0 HH21 ARG A 126 3.035 3.487 22.085 1.00 2.58 H new ATOM 0 HH22 ARG A 126 2.078 2.830 23.417 1.00 2.58 H new ATOM 1936 N GLU A 127 2.159 1.122 14.761 1.00 0.59 N ATOM 1937 CA GLU A 127 2.954 0.042 14.202 1.00 0.59 C ATOM 1938 C GLU A 127 4.180 0.623 13.474 1.00 0.59 C ATOM 1939 O GLU A 127 5.028 -0.124 12.974 1.00 0.63 O ATOM 1940 CB GLU A 127 2.102 -0.801 13.252 1.00 0.61 C ATOM 1941 CG GLU A 127 1.212 -1.820 13.965 1.00 0.66 C ATOM 1942 CD GLU A 127 0.571 -2.806 13.008 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -0.657 -2.721 12.800 1.00 1.91 O ATOM 1944 OE2 GLU A 127 1.298 -3.665 12.466 1.00 2.06 O ATOM 0 H GLU A 127 1.260 1.249 14.295 1.00 0.59 H new ATOM 0 HA GLU A 127 3.304 -0.604 15.007 1.00 0.59 H new ATOM 0 HB2 GLU A 127 1.475 -0.138 12.656 1.00 0.61 H new ATOM 0 HB3 GLU A 127 2.759 -1.327 12.559 1.00 0.61 H new ATOM 0 HG2 GLU A 127 1.806 -2.365 14.698 1.00 0.66 H new ATOM 0 HG3 GLU A 127 0.432 -1.293 14.515 1.00 0.66 H new ATOM 1951 N ALA A 128 4.261 1.982 13.432 1.00 0.59 N ATOM 1952 CA ALA A 128 5.368 2.682 12.753 1.00 0.64 C ATOM 1953 C ALA A 128 5.656 4.098 13.300 1.00 0.63 C ATOM 1954 O ALA A 128 6.238 4.914 12.571 1.00 0.65 O ATOM 1955 CB ALA A 128 5.079 2.781 11.257 1.00 0.72 C ATOM 0 H ALA A 128 3.574 2.603 13.860 1.00 0.59 H new ATOM 0 HA ALA A 128 6.258 2.083 12.948 1.00 0.64 H new ATOM 0 HB1 ALA A 128 5.900 3.299 10.761 1.00 0.72 H new ATOM 0 HB2 ALA A 128 4.977 1.779 10.839 1.00 0.72 H new ATOM 0 HB3 ALA A 128 4.154 3.335 11.101 1.00 0.72 H new ATOM 1961 N ALA A 129 5.278 4.415 14.565 1.00 0.67 N ATOM 1962 CA ALA A 129 5.548 5.766 15.127 1.00 0.72 C ATOM 1963 C ALA A 129 6.997 6.205 14.943 1.00 0.77 C ATOM 1964 O ALA A 129 7.928 5.571 15.453 1.00 0.86 O ATOM 1965 CB ALA A 129 5.199 5.887 16.610 1.00 0.83 C ATOM 0 H ALA A 129 4.799 3.776 15.200 1.00 0.67 H new ATOM 0 HA ALA A 129 4.893 6.422 14.554 1.00 0.72 H new ATOM 0 HB1 ALA A 129 5.421 6.897 16.955 1.00 0.83 H new ATOM 0 HB2 ALA A 129 4.138 5.679 16.752 1.00 0.83 H new ATOM 0 HB3 ALA A 129 5.789 5.171 17.182 1.00 0.83 H new ATOM 1971 N ILE A 130 7.164 7.297 14.187 1.00 0.77 N ATOM 1972 CA ILE A 130 8.474 7.917 13.949 1.00 0.87 C ATOM 1973 C ILE A 130 9.063 8.349 15.290 1.00 1.01 C ATOM 1974 O ILE A 130 8.356 8.321 16.304 1.00 1.27 O ATOM 1975 CB ILE A 130 8.393 9.121 12.929 1.00 0.91 C ATOM 1976 CG1 ILE A 130 9.710 9.923 12.807 1.00 1.07 C ATOM 1977 CG2 ILE A 130 7.232 10.077 13.241 1.00 1.28 C ATOM 1978 CD1 ILE A 130 10.792 9.228 12.000 1.00 1.57 C ATOM 0 H ILE A 130 6.393 7.777 13.722 1.00 0.77 H new ATOM 0 HA ILE A 130 9.131 7.183 13.484 1.00 0.87 H new ATOM 0 HB ILE A 130 8.209 8.647 11.965 1.00 0.91 H new ATOM 0 HG12 ILE A 130 9.493 10.887 12.348 1.00 1.07 H new ATOM 0 HG13 ILE A 130 10.093 10.125 13.807 1.00 1.07 H new ATOM 0 HG21 ILE A 130 7.221 10.886 12.511 1.00 1.28 H new ATOM 0 HG22 ILE A 130 6.289 9.532 13.193 1.00 1.28 H new ATOM 0 HG23 ILE A 130 7.361 10.492 14.241 1.00 1.28 H new ATOM 0 HD11 ILE A 130 11.681 9.858 11.964 1.00 1.57 H new ATOM 0 HD12 ILE A 130 11.041 8.276 12.469 1.00 1.57 H new ATOM 0 HD13 ILE A 130 10.432 9.050 10.987 1.00 1.57 H new ATOM 1990 N ASP A 131 10.360 8.673 15.293 1.00 1.22 N ATOM 1991 CA ASP A 131 11.089 9.132 16.514 1.00 1.45 C ATOM 1992 C ASP A 131 10.148 9.808 17.527 1.00 1.44 C ATOM 1993 O ASP A 131 10.377 9.781 18.740 1.00 1.64 O ATOM 1994 CB ASP A 131 12.203 10.107 16.127 1.00 1.64 C ATOM 1995 CG ASP A 131 13.331 9.437 15.364 1.00 2.27 C ATOM 1996 OD1 ASP A 131 13.257 9.387 14.118 1.00 2.70 O ATOM 1997 OD2 ASP A 131 14.288 8.965 16.013 1.00 2.90 O ATOM 0 H ASP A 131 10.946 8.630 14.459 1.00 1.22 H new ATOM 0 HA ASP A 131 11.516 8.248 16.987 1.00 1.45 H new ATOM 0 HB2 ASP A 131 11.784 10.908 15.518 1.00 1.64 H new ATOM 0 HB3 ASP A 131 12.605 10.569 17.029 1.00 1.64 H new ATOM 2002 N GLY A 132 9.098 10.405 16.970 1.00 1.31 N ATOM 2003 CA GLY A 132 8.050 11.055 17.730 1.00 1.35 C ATOM 2004 C GLY A 132 7.799 12.484 17.252 1.00 1.46 C ATOM 2005 O GLY A 132 7.256 13.304 17.998 1.00 1.75 O ATOM 0 H GLY A 132 8.955 10.448 15.961 1.00 1.31 H new ATOM 0 HA2 GLY A 132 7.129 10.477 17.646 1.00 1.35 H new ATOM 0 HA3 GLY A 132 8.322 11.068 18.785 1.00 1.35 H new ATOM 2009 N ASP A 133 8.201 12.773 15.997 1.00 1.34 N ATOM 2010 CA ASP A 133 8.042 14.107 15.390 1.00 1.49 C ATOM 2011 C ASP A 133 6.656 14.277 14.758 1.00 1.37 C ATOM 2012 O ASP A 133 6.030 15.331 14.904 1.00 1.69 O ATOM 2013 CB ASP A 133 9.131 14.349 14.338 1.00 1.52 C ATOM 2014 CG ASP A 133 10.509 14.518 14.952 1.00 1.94 C ATOM 2015 OD1 ASP A 133 11.213 13.501 15.119 1.00 2.14 O ATOM 2016 OD2 ASP A 133 10.882 15.668 15.265 1.00 2.60 O ATOM 0 H ASP A 133 8.642 12.091 15.380 1.00 1.34 H new ATOM 0 HA ASP A 133 8.142 14.845 16.186 1.00 1.49 H new ATOM 0 HB2 ASP A 133 9.149 13.512 13.640 1.00 1.52 H new ATOM 0 HB3 ASP A 133 8.882 15.240 13.762 1.00 1.52 H new ATOM 2021 N GLY A 134 6.194 13.233 14.059 1.00 1.04 N ATOM 2022 CA GLY A 134 4.876 13.253 13.438 1.00 1.15 C ATOM 2023 C GLY A 134 4.863 13.392 11.919 1.00 1.03 C ATOM 2024 O GLY A 134 3.812 13.180 11.309 1.00 1.25 O ATOM 0 H GLY A 134 6.716 12.369 13.913 1.00 1.04 H new ATOM 0 HA2 GLY A 134 4.355 12.334 13.705 1.00 1.15 H new ATOM 0 HA3 GLY A 134 4.306 14.078 13.865 1.00 1.15 H new ATOM 2028 N GLN A 135 5.994 13.755 11.297 1.00 0.84 N ATOM 2029 CA GLN A 135 6.044 13.847 9.830 1.00 0.77 C ATOM 2030 C GLN A 135 7.150 12.944 9.289 1.00 0.74 C ATOM 2031 O GLN A 135 8.100 12.639 10.019 1.00 0.80 O ATOM 2032 CB GLN A 135 6.169 15.303 9.314 1.00 0.80 C ATOM 2033 CG GLN A 135 7.445 16.046 9.721 1.00 1.03 C ATOM 2034 CD GLN A 135 7.383 16.595 11.134 1.00 1.40 C ATOM 2035 OE1 GLN A 135 7.760 15.921 12.092 1.00 2.05 O ATOM 2036 NE2 GLN A 135 6.904 17.827 11.270 1.00 1.98 N ATOM 0 H GLN A 135 6.867 13.985 11.772 1.00 0.84 H new ATOM 0 HA GLN A 135 5.088 13.493 9.445 1.00 0.77 H new ATOM 0 HB2 GLN A 135 6.110 15.289 8.226 1.00 0.80 H new ATOM 0 HB3 GLN A 135 5.310 15.871 9.672 1.00 0.80 H new ATOM 0 HG2 GLN A 135 8.296 15.370 9.636 1.00 1.03 H new ATOM 0 HG3 GLN A 135 7.619 16.867 9.025 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.603 18.351 10.448 1.00 1.98 H new ATOM 0 HE22 GLN A 135 6.838 18.249 12.196 1.00 1.98 H new ATOM 2045 N VAL A 136 7.048 12.513 8.015 1.00 0.69 N ATOM 2046 CA VAL A 136 8.082 11.593 7.481 1.00 0.68 C ATOM 2047 C VAL A 136 8.462 11.838 6.022 1.00 0.64 C ATOM 2048 O VAL A 136 7.613 12.080 5.166 1.00 0.67 O ATOM 2049 CB VAL A 136 7.748 10.083 7.701 1.00 0.75 C ATOM 2050 CG1 VAL A 136 8.090 9.671 9.125 1.00 0.91 C ATOM 2051 CG2 VAL A 136 6.291 9.743 7.402 1.00 0.88 C ATOM 0 H VAL A 136 6.305 12.767 7.364 1.00 0.69 H new ATOM 0 HA VAL A 136 8.957 11.839 8.082 1.00 0.68 H new ATOM 0 HB VAL A 136 8.359 9.524 6.992 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.853 8.617 9.266 1.00 0.91 H new ATOM 0 HG12 VAL A 136 9.153 9.831 9.305 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.510 10.270 9.826 1.00 0.91 H new ATOM 0 HG21 VAL A 136 6.123 8.680 7.574 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.640 10.324 8.056 1.00 0.88 H new ATOM 0 HG23 VAL A 136 6.067 9.982 6.362 1.00 0.88 H new ATOM 2061 N ASN A 137 9.776 11.771 5.771 1.00 0.63 N ATOM 2062 CA ASN A 137 10.359 11.975 4.468 1.00 0.62 C ATOM 2063 C ASN A 137 10.511 10.653 3.706 1.00 0.59 C ATOM 2064 O ASN A 137 9.935 9.630 4.090 1.00 0.59 O ATOM 2065 CB ASN A 137 11.714 12.622 4.681 1.00 0.66 C ATOM 2066 CG ASN A 137 11.893 13.933 3.946 1.00 0.80 C ATOM 2067 OD1 ASN A 137 11.364 14.963 4.360 1.00 1.18 O ATOM 2068 ND2 ASN A 137 12.660 13.907 2.864 1.00 1.45 N ATOM 0 H ASN A 137 10.466 11.568 6.494 1.00 0.63 H new ATOM 0 HA ASN A 137 9.711 12.611 3.865 1.00 0.62 H new ATOM 0 HB2 ASN A 137 11.860 12.792 5.748 1.00 0.66 H new ATOM 0 HB3 ASN A 137 12.491 11.928 4.360 1.00 0.66 H new ATOM 0 HD21 ASN A 137 12.831 14.765 2.339 1.00 1.45 H new ATOM 0 HD22 ASN A 137 13.079 13.029 2.557 1.00 1.45 H new ATOM 2075 N TYR A 138 11.294 10.699 2.620 1.00 0.62 N ATOM 2076 CA TYR A 138 11.548 9.546 1.751 1.00 0.66 C ATOM 2077 C TYR A 138 12.308 8.388 2.426 1.00 0.61 C ATOM 2078 O TYR A 138 12.254 7.254 1.946 1.00 0.67 O ATOM 2079 CB TYR A 138 12.299 9.989 0.488 1.00 0.75 C ATOM 2080 CG TYR A 138 13.558 10.818 0.714 1.00 1.21 C ATOM 2081 CD1 TYR A 138 14.744 10.228 1.144 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.556 12.187 0.484 1.00 2.03 C ATOM 2083 CE1 TYR A 138 15.886 10.981 1.339 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.695 12.946 0.678 1.00 2.76 C ATOM 2085 CZ TYR A 138 15.856 12.339 1.106 1.00 2.81 C ATOM 2086 OH TYR A 138 16.991 13.092 1.299 1.00 3.66 O ATOM 0 H TYR A 138 11.773 11.547 2.318 1.00 0.62 H new ATOM 0 HA TYR A 138 10.564 9.152 1.498 1.00 0.66 H new ATOM 0 HB2 TYR A 138 12.571 9.099 -0.079 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.615 10.566 -0.134 1.00 0.75 H new ATOM 0 HD1 TYR A 138 14.772 9.164 1.328 1.00 1.93 H new ATOM 0 HD2 TYR A 138 12.649 12.667 0.148 1.00 2.03 H new ATOM 0 HE1 TYR A 138 16.798 10.508 1.672 1.00 2.59 H new ATOM 0 HE2 TYR A 138 14.675 14.010 0.495 1.00 2.76 H new ATOM 0 HH TYR A 138 16.801 14.030 1.089 1.00 3.66 H new ATOM 2096 N GLU A 139 13.002 8.676 3.530 1.00 0.57 N ATOM 2097 CA GLU A 139 13.822 7.673 4.234 1.00 0.60 C ATOM 2098 C GLU A 139 13.028 6.606 5.013 1.00 0.54 C ATOM 2099 O GLU A 139 13.556 5.513 5.240 1.00 0.57 O ATOM 2100 CB GLU A 139 14.788 8.375 5.193 1.00 0.68 C ATOM 2101 CG GLU A 139 15.945 9.079 4.498 1.00 0.89 C ATOM 2102 CD GLU A 139 16.868 9.785 5.472 1.00 1.36 C ATOM 2103 OE1 GLU A 139 17.844 9.154 5.927 1.00 2.24 O ATOM 2104 OE2 GLU A 139 16.614 10.969 5.778 1.00 1.61 O ATOM 0 H GLU A 139 13.015 9.600 3.962 1.00 0.57 H new ATOM 0 HA GLU A 139 14.352 7.136 3.447 1.00 0.60 H new ATOM 0 HB2 GLU A 139 14.233 9.105 5.782 1.00 0.68 H new ATOM 0 HB3 GLU A 139 15.189 7.640 5.891 1.00 0.68 H new ATOM 0 HG2 GLU A 139 16.517 8.350 3.924 1.00 0.89 H new ATOM 0 HG3 GLU A 139 15.550 9.804 3.787 1.00 0.89 H new ATOM 2111 N GLU A 140 11.784 6.901 5.421 1.00 0.51 N ATOM 2112 CA GLU A 140 11.002 5.938 6.216 1.00 0.52 C ATOM 2113 C GLU A 140 10.150 4.968 5.395 1.00 0.47 C ATOM 2114 O GLU A 140 10.322 3.753 5.533 1.00 0.49 O ATOM 2115 CB GLU A 140 10.136 6.668 7.253 1.00 0.59 C ATOM 2116 CG GLU A 140 10.918 7.218 8.442 1.00 1.02 C ATOM 2117 CD GLU A 140 11.256 6.154 9.474 1.00 1.31 C ATOM 2118 OE1 GLU A 140 10.442 5.941 10.396 1.00 1.91 O ATOM 2119 OE2 GLU A 140 12.336 5.536 9.357 1.00 2.02 O ATOM 0 H GLU A 140 11.305 7.779 5.220 1.00 0.51 H new ATOM 0 HA GLU A 140 11.743 5.317 6.719 1.00 0.52 H new ATOM 0 HB2 GLU A 140 9.616 7.491 6.762 1.00 0.59 H new ATOM 0 HB3 GLU A 140 9.372 5.982 7.620 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.841 7.674 8.083 1.00 1.02 H new ATOM 0 HG3 GLU A 140 10.336 8.007 8.919 1.00 1.02 H new ATOM 2126 N PHE A 141 9.238 5.474 4.544 1.00 0.45 N ATOM 2127 CA PHE A 141 8.364 4.586 3.748 1.00 0.43 C ATOM 2128 C PHE A 141 9.153 3.739 2.739 1.00 0.41 C ATOM 2129 O PHE A 141 8.611 2.789 2.165 1.00 0.44 O ATOM 2130 CB PHE A 141 7.234 5.362 3.054 1.00 0.45 C ATOM 2131 CG PHE A 141 6.258 6.031 3.996 1.00 0.69 C ATOM 2132 CD1 PHE A 141 5.988 7.385 3.877 1.00 1.33 C ATOM 2133 CD2 PHE A 141 5.609 5.310 4.995 1.00 1.55 C ATOM 2134 CE1 PHE A 141 5.098 8.006 4.731 1.00 1.59 C ATOM 2135 CE2 PHE A 141 4.721 5.928 5.850 1.00 1.88 C ATOM 2136 CZ PHE A 141 4.464 7.278 5.720 1.00 1.54 C ATOM 0 H PHE A 141 9.087 6.471 4.390 1.00 0.45 H new ATOM 0 HA PHE A 141 7.905 3.897 4.457 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.676 6.122 2.410 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.684 4.677 2.408 1.00 0.45 H new ATOM 0 HD1 PHE A 141 6.479 7.961 3.107 1.00 1.33 H new ATOM 0 HD2 PHE A 141 5.804 4.253 5.102 1.00 1.55 H new ATOM 0 HE1 PHE A 141 4.897 9.062 4.626 1.00 1.59 H new ATOM 0 HE2 PHE A 141 4.227 5.356 6.621 1.00 1.88 H new ATOM 0 HZ PHE A 141 3.769 7.764 6.389 1.00 1.54 H new ATOM 2146 N VAL A 142 10.435 4.092 2.532 1.00 0.42 N ATOM 2147 CA VAL A 142 11.327 3.326 1.658 1.00 0.44 C ATOM 2148 C VAL A 142 11.785 2.093 2.407 1.00 0.46 C ATOM 2149 O VAL A 142 11.741 0.992 1.869 1.00 0.48 O ATOM 2150 CB VAL A 142 12.576 4.136 1.228 1.00 0.48 C ATOM 2151 CG1 VAL A 142 13.797 3.239 1.009 1.00 0.53 C ATOM 2152 CG2 VAL A 142 12.307 4.968 -0.022 1.00 0.50 C ATOM 0 H VAL A 142 10.873 4.907 2.962 1.00 0.42 H new ATOM 0 HA VAL A 142 10.773 3.070 0.755 1.00 0.44 H new ATOM 0 HB VAL A 142 12.798 4.814 2.052 1.00 0.48 H new ATOM 0 HG11 VAL A 142 14.648 3.850 0.709 1.00 0.53 H new ATOM 0 HG12 VAL A 142 14.035 2.715 1.935 1.00 0.53 H new ATOM 0 HG13 VAL A 142 13.579 2.512 0.227 1.00 0.53 H new ATOM 0 HG21 VAL A 142 13.207 5.521 -0.291 1.00 0.50 H new ATOM 0 HG22 VAL A 142 12.026 4.309 -0.844 1.00 0.50 H new ATOM 0 HG23 VAL A 142 11.496 5.669 0.175 1.00 0.50 H new ATOM 2162 N GLN A 143 12.218 2.306 3.665 1.00 0.49 N ATOM 2163 CA GLN A 143 12.690 1.230 4.524 1.00 0.54 C ATOM 2164 C GLN A 143 11.596 0.183 4.710 1.00 0.52 C ATOM 2165 O GLN A 143 11.878 -1.005 4.887 1.00 0.57 O ATOM 2166 CB GLN A 143 13.125 1.813 5.862 1.00 0.59 C ATOM 2167 CG GLN A 143 14.228 1.030 6.561 1.00 0.64 C ATOM 2168 CD GLN A 143 14.613 1.633 7.898 1.00 0.89 C ATOM 2169 OE1 GLN A 143 14.047 1.286 8.935 1.00 1.62 O ATOM 2170 NE2 GLN A 143 15.581 2.542 7.880 1.00 1.55 N ATOM 0 H GLN A 143 12.246 3.227 4.102 1.00 0.49 H new ATOM 0 HA GLN A 143 13.544 0.737 4.060 1.00 0.54 H new ATOM 0 HB2 GLN A 143 13.466 2.836 5.705 1.00 0.59 H new ATOM 0 HB3 GLN A 143 12.258 1.864 6.521 1.00 0.59 H new ATOM 0 HG2 GLN A 143 13.899 0.002 6.711 1.00 0.64 H new ATOM 0 HG3 GLN A 143 15.106 0.993 5.917 1.00 0.64 H new ATOM 0 HE21 GLN A 143 16.023 2.799 6.997 1.00 1.55 H new ATOM 0 HE22 GLN A 143 15.883 2.983 8.749 1.00 1.55 H new ATOM 2179 N MET A 144 10.343 0.660 4.670 1.00 0.49 N ATOM 2180 CA MET A 144 9.167 -0.193 4.738 1.00 0.49 C ATOM 2181 C MET A 144 9.206 -1.159 3.549 1.00 0.51 C ATOM 2182 O MET A 144 8.844 -2.332 3.666 1.00 0.58 O ATOM 2183 CB MET A 144 7.895 0.677 4.661 1.00 0.52 C ATOM 2184 CG MET A 144 6.635 0.081 5.288 1.00 0.93 C ATOM 2185 SD MET A 144 6.271 -1.611 4.760 1.00 2.33 S ATOM 2186 CE MET A 144 7.068 -2.578 6.045 1.00 3.20 C ATOM 0 H MET A 144 10.126 1.653 4.589 1.00 0.49 H new ATOM 0 HA MET A 144 9.157 -0.751 5.674 1.00 0.49 H new ATOM 0 HB2 MET A 144 8.102 1.631 5.146 1.00 0.52 H new ATOM 0 HB3 MET A 144 7.688 0.891 3.612 1.00 0.52 H new ATOM 0 HG2 MET A 144 6.741 0.096 6.373 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.785 0.717 5.042 1.00 0.93 H new ATOM 0 HE1 MET A 144 7.886 -3.153 5.613 1.00 3.20 H new ATOM 0 HE2 MET A 144 7.460 -1.911 6.813 1.00 3.20 H new ATOM 0 HE3 MET A 144 6.343 -3.258 6.491 1.00 3.20 H new ATOM 2196 N MET A 145 9.676 -0.633 2.405 1.00 0.49 N ATOM 2197 CA MET A 145 9.766 -1.413 1.178 1.00 0.56 C ATOM 2198 C MET A 145 11.137 -2.099 1.003 1.00 0.62 C ATOM 2199 O MET A 145 11.196 -3.206 0.459 1.00 0.75 O ATOM 2200 CB MET A 145 9.441 -0.515 -0.017 1.00 0.58 C ATOM 2201 CG MET A 145 8.848 -1.250 -1.218 1.00 1.52 C ATOM 2202 SD MET A 145 10.000 -2.401 -1.991 1.00 2.50 S ATOM 2203 CE MET A 145 8.988 -3.055 -3.317 1.00 3.22 C ATOM 0 H MET A 145 9.997 0.331 2.314 1.00 0.49 H new ATOM 0 HA MET A 145 9.035 -2.219 1.240 1.00 0.56 H new ATOM 0 HB2 MET A 145 8.740 0.256 0.304 1.00 0.58 H new ATOM 0 HB3 MET A 145 10.352 -0.006 -0.332 1.00 0.58 H new ATOM 0 HG2 MET A 145 7.960 -1.795 -0.899 1.00 1.52 H new ATOM 0 HG3 MET A 145 8.524 -0.519 -1.959 1.00 1.52 H new ATOM 0 HE1 MET A 145 9.563 -3.784 -3.888 1.00 3.22 H new ATOM 0 HE2 MET A 145 8.106 -3.538 -2.897 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.679 -2.242 -3.974 1.00 3.22 H new ATOM 2213 N THR A 146 12.235 -1.464 1.473 1.00 0.59 N ATOM 2214 CA THR A 146 13.577 -2.026 1.308 1.00 0.68 C ATOM 2215 C THR A 146 13.855 -3.198 2.257 1.00 0.78 C ATOM 2216 O THR A 146 14.673 -4.069 1.949 1.00 0.89 O ATOM 2217 CB THR A 146 14.686 -0.971 1.511 1.00 0.69 C ATOM 2218 OG1 THR A 146 14.158 0.239 2.062 1.00 0.63 O ATOM 2219 CG2 THR A 146 15.394 -0.669 0.198 1.00 0.71 C ATOM 0 H THR A 146 12.210 -0.570 1.964 1.00 0.59 H new ATOM 0 HA THR A 146 13.597 -2.387 0.280 1.00 0.68 H new ATOM 0 HB THR A 146 15.406 -1.388 2.215 1.00 0.69 H new ATOM 0 HG1 THR A 146 14.877 0.740 2.501 1.00 0.63 H new ATOM 0 HG21 THR A 146 16.171 0.077 0.367 1.00 0.71 H new ATOM 0 HG22 THR A 146 15.846 -1.582 -0.190 1.00 0.71 H new ATOM 0 HG23 THR A 146 14.673 -0.285 -0.524 1.00 0.71 H new ATOM 2227 N ALA A 147 13.167 -3.207 3.407 1.00 0.77 N ATOM 2228 CA ALA A 147 13.319 -4.256 4.408 1.00 0.88 C ATOM 2229 C ALA A 147 12.442 -5.468 4.096 1.00 0.94 C ATOM 2230 O ALA A 147 11.298 -5.319 3.657 1.00 0.91 O ATOM 2231 CB ALA A 147 12.997 -3.714 5.792 1.00 0.90 C ATOM 0 H ALA A 147 12.492 -2.486 3.663 1.00 0.77 H new ATOM 0 HA ALA A 147 14.358 -4.586 4.386 1.00 0.88 H new ATOM 0 HB1 ALA A 147 13.114 -4.508 6.530 1.00 0.90 H new ATOM 0 HB2 ALA A 147 13.676 -2.895 6.029 1.00 0.90 H new ATOM 0 HB3 ALA A 147 11.970 -3.351 5.810 1.00 0.90 H new ATOM 2237 N LYS A 148 12.995 -6.662 4.330 1.00 1.08 N ATOM 2238 CA LYS A 148 12.280 -7.918 4.082 1.00 1.19 C ATOM 2239 C LYS A 148 12.370 -8.849 5.293 1.00 1.63 C ATOM 2240 O LYS A 148 13.496 -9.267 5.641 1.00 2.21 O ATOM 2241 CB LYS A 148 12.791 -8.638 2.807 1.00 1.53 C ATOM 2242 CG LYS A 148 14.298 -8.550 2.558 1.00 2.17 C ATOM 2243 CD LYS A 148 14.651 -7.279 1.798 1.00 2.29 C ATOM 2244 CE LYS A 148 16.153 -7.030 1.770 1.00 3.11 C ATOM 2245 NZ LYS A 148 16.675 -6.581 3.093 1.00 3.56 N ATOM 2246 OXT LYS A 148 11.311 -9.151 5.882 1.00 2.14 O ATOM 0 H LYS A 148 13.940 -6.785 4.693 1.00 1.08 H new ATOM 0 HA LYS A 148 11.234 -7.660 3.917 1.00 1.19 H new ATOM 0 HB2 LYS A 148 12.512 -9.690 2.869 1.00 1.53 H new ATOM 0 HB3 LYS A 148 12.273 -8.221 1.943 1.00 1.53 H new ATOM 0 HG2 LYS A 148 14.829 -8.569 3.510 1.00 2.17 H new ATOM 0 HG3 LYS A 148 14.628 -9.421 1.991 1.00 2.17 H new ATOM 0 HD2 LYS A 148 14.276 -7.351 0.777 1.00 2.29 H new ATOM 0 HD3 LYS A 148 14.151 -6.429 2.262 1.00 2.29 H new ATOM 0 HE2 LYS A 148 16.665 -7.944 1.471 1.00 3.11 H new ATOM 0 HE3 LYS A 148 16.380 -6.276 1.017 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 17.670 -6.294 2.995 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 16.114 -5.773 3.432 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 16.606 -7.362 3.777 1.00 3.56 H new ATOM 2490 N LYS B 516 3.248 1.110 8.449 1.00 0.00 N ATOM 2491 CA LYS B 516 4.013 0.347 7.454 1.00 0.00 C ATOM 2492 C LYS B 516 3.184 -0.265 6.304 1.00 0.00 C ATOM 2493 O LYS B 516 3.420 0.061 5.137 1.00 0.00 O ATOM 2494 CB LYS B 516 4.815 -0.771 8.150 1.00 0.00 C ATOM 2495 CG LYS B 516 5.899 -0.278 9.103 1.00 0.00 C ATOM 2496 CD LYS B 516 6.614 -1.436 9.781 1.00 0.00 C ATOM 2497 CE LYS B 516 7.717 -0.945 10.705 1.00 0.00 C ATOM 2498 NZ LYS B 516 8.425 -2.072 11.373 1.00 0.00 N ATOM 0 HA LYS B 516 4.669 1.081 6.986 1.00 0.00 H new ATOM 0 HB2 LYS B 516 4.123 -1.405 8.705 1.00 0.00 H new ATOM 0 HB3 LYS B 516 5.278 -1.397 7.387 1.00 0.00 H new ATOM 0 HG2 LYS B 516 6.621 0.325 8.553 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.454 0.369 9.859 1.00 0.00 H new ATOM 0 HD2 LYS B 516 5.896 -2.025 10.351 1.00 0.00 H new ATOM 0 HD3 LYS B 516 7.038 -2.096 9.025 1.00 0.00 H new ATOM 0 HE2 LYS B 516 8.433 -0.354 10.134 1.00 0.00 H new ATOM 0 HE3 LYS B 516 7.291 -0.285 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 9.169 -1.695 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 7.747 -2.621 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 8.854 -2.688 10.653 1.00 0.00 H new ATOM 2512 N VAL B 517 2.223 -1.147 6.636 1.00 0.00 N ATOM 2513 CA VAL B 517 1.401 -1.876 5.636 1.00 0.00 C ATOM 2514 C VAL B 517 0.680 -0.979 4.620 1.00 0.00 C ATOM 2515 O VAL B 517 0.756 -1.216 3.412 1.00 0.00 O ATOM 2516 CB VAL B 517 0.368 -2.810 6.325 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -0.490 -3.525 5.292 1.00 0.00 C ATOM 2518 CG2 VAL B 517 1.062 -3.830 7.222 1.00 0.00 C ATOM 0 H VAL B 517 1.990 -1.378 7.602 1.00 0.00 H new ATOM 0 HA VAL B 517 2.123 -2.465 5.071 1.00 0.00 H new ATOM 0 HB VAL B 517 -0.277 -2.187 6.945 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -1.205 -4.173 5.799 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -1.027 -2.789 4.693 1.00 0.00 H new ATOM 0 HG13 VAL B 517 0.147 -4.126 4.643 1.00 0.00 H new ATOM 0 HG21 VAL B 517 0.315 -4.470 7.691 1.00 0.00 H new ATOM 0 HG22 VAL B 517 1.738 -4.440 6.623 1.00 0.00 H new ATOM 0 HG23 VAL B 517 1.630 -3.310 7.993 1.00 0.00 H new ATOM 2528 N LEU B 518 -0.031 0.007 5.133 1.00 0.00 N ATOM 2529 CA LEU B 518 -0.806 0.974 4.358 1.00 0.00 C ATOM 2530 C LEU B 518 0.011 1.746 3.310 1.00 0.00 C ATOM 2531 O LEU B 518 -0.493 2.672 2.664 1.00 0.00 O ATOM 2532 CB LEU B 518 -1.442 1.931 5.354 1.00 0.00 C ATOM 2533 CG LEU B 518 -2.910 2.263 5.099 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -3.722 0.976 5.035 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -3.465 3.177 6.181 1.00 0.00 C ATOM 0 H LEU B 518 -0.091 0.168 6.138 1.00 0.00 H new ATOM 0 HA LEU B 518 -1.550 0.430 3.776 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.352 1.502 6.352 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -0.872 2.860 5.354 1.00 0.00 H new ATOM 0 HG LEU B 518 -2.983 2.789 4.147 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.770 1.215 4.853 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -3.347 0.349 4.226 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -3.631 0.441 5.980 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.512 3.395 5.971 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.384 2.685 7.150 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -2.897 4.107 6.198 1.00 0.00 H new ATOM 2547 N VAL B 519 1.260 1.339 3.155 1.00 0.00 N ATOM 2548 CA VAL B 519 2.173 1.929 2.186 1.00 0.00 C ATOM 2549 C VAL B 519 2.725 0.806 1.327 1.00 0.00 C ATOM 2550 O VAL B 519 2.939 0.980 0.123 1.00 0.00 O ATOM 2551 CB VAL B 519 3.317 2.737 2.862 1.00 0.00 C ATOM 2552 CG1 VAL B 519 4.091 3.573 1.838 1.00 0.00 C ATOM 2553 CG2 VAL B 519 2.776 3.653 3.956 1.00 0.00 C ATOM 0 H VAL B 519 1.674 0.584 3.702 1.00 0.00 H new ATOM 0 HA VAL B 519 1.630 2.648 1.572 1.00 0.00 H new ATOM 0 HB VAL B 519 3.995 2.011 3.310 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.883 4.125 2.343 1.00 0.00 H new ATOM 0 HG12 VAL B 519 4.529 2.915 1.088 1.00 0.00 H new ATOM 0 HG13 VAL B 519 3.412 4.275 1.353 1.00 0.00 H new ATOM 0 HG21 VAL B 519 3.600 4.204 4.409 1.00 0.00 H new ATOM 0 HG22 VAL B 519 2.064 4.356 3.523 1.00 0.00 H new ATOM 0 HG23 VAL B 519 2.277 3.054 4.718 1.00 0.00 H new ATOM 2563 N LYS B 520 2.953 -0.351 1.964 1.00 0.00 N ATOM 2564 CA LYS B 520 3.398 -1.541 1.274 1.00 0.00 C ATOM 2565 C LYS B 520 2.308 -2.057 0.351 1.00 0.00 C ATOM 2566 O LYS B 520 2.583 -2.701 -0.666 1.00 0.00 O ATOM 2567 CB LYS B 520 3.757 -2.616 2.277 1.00 0.00 C ATOM 2568 CG LYS B 520 5.147 -3.182 2.055 1.00 0.00 C ATOM 2569 CD LYS B 520 5.423 -3.499 0.573 1.00 0.00 C ATOM 2570 CE LYS B 520 5.845 -4.948 0.365 1.00 0.00 C ATOM 2571 NZ LYS B 520 7.225 -5.209 0.864 1.00 0.00 N ATOM 0 H LYS B 520 2.831 -0.475 2.969 1.00 0.00 H new ATOM 0 HA LYS B 520 4.277 -1.288 0.681 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.693 -2.204 3.284 1.00 0.00 H new ATOM 0 HB3 LYS B 520 3.026 -3.423 2.216 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.888 -2.469 2.415 1.00 0.00 H new ATOM 0 HG3 LYS B 520 5.265 -4.090 2.646 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.527 -3.295 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS B 520 6.205 -2.837 0.201 1.00 0.00 H new ATOM 0 HE2 LYS B 520 5.144 -5.606 0.879 1.00 0.00 H new ATOM 0 HE3 LYS B 520 5.792 -5.191 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.470 -6.207 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 7.899 -4.600 0.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 7.271 -5.002 1.882 1.00 0.00 H new ATOM 2585 N ALA B 521 1.060 -1.756 0.736 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.112 -2.114 -0.044 1.00 0.00 C ATOM 2587 C ALA B 521 -0.334 -1.056 -1.130 1.00 0.00 C ATOM 2588 O ALA B 521 -1.392 -0.973 -1.763 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.318 -2.229 0.868 1.00 0.00 C ATOM 0 H ALA B 521 0.844 -1.257 1.599 1.00 0.00 H new ATOM 0 HA ALA B 521 0.038 -3.080 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.195 -2.498 0.279 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.135 -2.998 1.618 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -1.492 -1.274 1.363 1.00 0.00 H new ATOM 2595 N VAL B 522 0.727 -0.271 -1.329 1.00 0.00 N ATOM 2596 CA VAL B 522 0.768 0.816 -2.282 1.00 0.00 C ATOM 2597 C VAL B 522 2.073 0.763 -3.091 1.00 0.00 C ATOM 2598 O VAL B 522 2.120 1.279 -4.212 1.00 0.00 O ATOM 2599 CB VAL B 522 0.607 2.227 -1.637 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.052 3.183 -2.625 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -0.210 2.187 -0.347 1.00 0.00 C ATOM 0 H VAL B 522 1.599 -0.385 -0.813 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.092 0.674 -2.936 1.00 0.00 H new ATOM 0 HB VAL B 522 1.608 2.579 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.160 4.165 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.567 3.267 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.035 2.801 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -0.293 3.194 0.062 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.206 1.798 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL B 522 0.285 1.540 0.377 1.00 0.00 H new ATOM 2611 N LEU B 523 3.138 0.137 -2.525 1.00 0.00 N ATOM 2612 CA LEU B 523 4.412 -0.002 -3.235 1.00 0.00 C ATOM 2613 C LEU B 523 4.376 -1.289 -4.052 1.00 0.00 C ATOM 2614 O LEU B 523 5.301 -1.598 -4.809 1.00 0.00 O ATOM 2615 CB LEU B 523 5.596 -0.025 -2.259 1.00 0.00 C ATOM 2616 CG LEU B 523 5.812 1.268 -1.465 1.00 0.00 C ATOM 2617 CD1 LEU B 523 6.064 0.967 0.004 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.947 2.105 -2.044 1.00 0.00 C ATOM 0 H LEU B 523 3.129 -0.271 -1.590 1.00 0.00 H new ATOM 0 HA LEU B 523 4.549 0.857 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU B 523 5.450 -0.845 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU B 523 6.505 -0.244 -2.820 1.00 0.00 H new ATOM 0 HG LEU B 523 4.897 1.854 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU B 523 6.214 1.901 0.546 1.00 0.00 H new ATOM 0 HD12 LEU B 523 5.205 0.440 0.420 1.00 0.00 H new ATOM 0 HD13 LEU B 523 6.953 0.344 0.100 1.00 0.00 H new ATOM 0 HD21 LEU B 523 7.068 3.013 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.873 1.530 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.713 2.372 -3.075 1.00 0.00 H new ATOM 2630 N PHE B 524 3.279 -2.036 -3.861 1.00 0.00 N ATOM 2631 CA PHE B 524 3.040 -3.286 -4.562 1.00 0.00 C ATOM 2632 C PHE B 524 2.339 -3.032 -5.914 1.00 0.00 C ATOM 2633 O PHE B 524 2.699 -3.630 -6.931 1.00 0.00 O ATOM 2634 CB PHE B 524 2.225 -4.240 -3.642 1.00 0.00 C ATOM 2635 CG PHE B 524 0.894 -4.709 -4.186 1.00 0.00 C ATOM 2636 CD1 PHE B 524 0.832 -5.717 -5.136 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.287 -4.130 -3.751 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -0.380 -6.137 -5.640 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.505 -4.550 -4.251 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.550 -5.554 -5.198 1.00 0.00 C ATOM 0 H PHE B 524 2.535 -1.781 -3.211 1.00 0.00 H new ATOM 0 HA PHE B 524 3.990 -3.767 -4.793 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.837 -5.116 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE B 524 2.049 -3.734 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE B 524 1.744 -6.178 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -0.256 -3.342 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -0.414 -6.922 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -2.420 -4.094 -3.902 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.500 -5.883 -5.592 1.00 0.00 H new ATOM 2650 N ALA B 525 1.341 -2.138 -5.893 1.00 0.00 N ATOM 2651 CA ALA B 525 0.548 -1.788 -7.081 1.00 0.00 C ATOM 2652 C ALA B 525 1.219 -0.709 -7.951 1.00 0.00 C ATOM 2653 O ALA B 525 0.682 -0.333 -8.999 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.829 -1.315 -6.629 1.00 0.00 C ATOM 0 H ALA B 525 1.060 -1.636 -5.051 1.00 0.00 H new ATOM 0 HA ALA B 525 0.465 -2.679 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.428 -1.052 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.324 -2.113 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.721 -0.441 -5.986 1.00 0.00 H new ATOM 2660 N CYS B 526 2.395 -0.226 -7.519 1.00 0.00 N ATOM 2661 CA CYS B 526 3.141 0.820 -8.245 1.00 0.00 C ATOM 2662 C CYS B 526 3.692 0.354 -9.608 1.00 0.00 C ATOM 2663 O CYS B 526 4.091 1.188 -10.427 1.00 0.00 O ATOM 2664 CB CYS B 526 4.307 1.305 -7.381 1.00 0.00 C ATOM 2665 SG CYS B 526 5.581 0.050 -7.102 1.00 0.00 S ATOM 0 H CYS B 526 2.854 -0.544 -6.665 1.00 0.00 H new ATOM 0 HA CYS B 526 2.431 1.623 -8.445 1.00 0.00 H new ATOM 0 HB2 CYS B 526 4.763 2.173 -7.857 1.00 0.00 H new ATOM 0 HB3 CYS B 526 3.920 1.637 -6.418 1.00 0.00 H new ATOM 0 HG CYS B 526 5.127 -0.855 -6.287 1.00 0.00 H new ATOM 2671 N MET B 527 3.707 -0.964 -9.845 1.00 0.00 N ATOM 2672 CA MET B 527 4.250 -1.517 -11.092 1.00 0.00 C ATOM 2673 C MET B 527 3.163 -2.012 -12.064 1.00 0.00 C ATOM 2674 O MET B 527 3.477 -2.327 -13.217 1.00 0.00 O ATOM 2675 CB MET B 527 5.232 -2.652 -10.764 1.00 0.00 C ATOM 2676 CG MET B 527 6.262 -2.927 -11.860 1.00 0.00 C ATOM 2677 SD MET B 527 7.633 -3.964 -11.304 1.00 0.00 S ATOM 2678 CE MET B 527 6.846 -5.569 -11.157 1.00 0.00 C ATOM 0 H MET B 527 3.351 -1.664 -9.194 1.00 0.00 H new ATOM 0 HA MET B 527 4.768 -0.706 -11.604 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.757 -2.407 -9.841 1.00 0.00 H new ATOM 0 HB3 MET B 527 4.666 -3.564 -10.576 1.00 0.00 H new ATOM 0 HG2 MET B 527 5.767 -3.411 -12.702 1.00 0.00 H new ATOM 0 HG3 MET B 527 6.657 -1.979 -12.225 1.00 0.00 H new ATOM 0 HE1 MET B 527 7.593 -6.317 -10.891 1.00 0.00 H new ATOM 0 HE2 MET B 527 6.080 -5.529 -10.383 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.387 -5.837 -12.108 1.00 0.00 H new ATOM 2688 N LEU B 528 1.897 -2.078 -11.616 1.00 0.00 N ATOM 2689 CA LEU B 528 0.787 -2.542 -12.471 1.00 0.00 C ATOM 2690 C LEU B 528 0.595 -1.669 -13.723 1.00 0.00 C ATOM 2691 O LEU B 528 0.106 -2.148 -14.750 1.00 0.00 O ATOM 2692 CB LEU B 528 -0.524 -2.598 -11.684 1.00 0.00 C ATOM 2693 CG LEU B 528 -0.471 -3.455 -10.421 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.594 -3.077 -9.473 1.00 0.00 C ATOM 2695 CD2 LEU B 528 -0.535 -4.941 -10.742 1.00 0.00 C ATOM 0 H LEU B 528 1.616 -1.817 -10.671 1.00 0.00 H new ATOM 0 HA LEU B 528 1.059 -3.544 -12.803 1.00 0.00 H new ATOM 0 HB2 LEU B 528 -0.810 -1.583 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -1.308 -2.983 -12.336 1.00 0.00 H new ATOM 0 HG LEU B 528 0.486 -3.260 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.540 -3.698 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -1.496 -2.028 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -2.554 -3.233 -9.966 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.495 -5.515 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -1.466 -5.161 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU B 528 0.310 -5.213 -11.375 1.00 0.00 H new ATOM 2707 N MET B 529 0.986 -0.392 -13.618 1.00 0.00 N ATOM 2708 CA MET B 529 0.867 0.563 -14.726 1.00 0.00 C ATOM 2709 C MET B 529 2.252 1.053 -15.187 1.00 0.00 C ATOM 2710 O MET B 529 2.518 2.261 -15.255 1.00 0.00 O ATOM 2711 CB MET B 529 -0.057 1.741 -14.340 1.00 0.00 C ATOM 2712 CG MET B 529 0.289 2.410 -13.018 1.00 0.00 C ATOM 2713 SD MET B 529 -0.251 1.453 -11.588 1.00 0.00 S ATOM 2714 CE MET B 529 0.318 2.495 -10.247 1.00 0.00 C ATOM 0 H MET B 529 1.390 0.005 -12.770 1.00 0.00 H new ATOM 0 HA MET B 529 0.408 0.049 -15.571 1.00 0.00 H new ATOM 0 HB2 MET B 529 -0.020 2.489 -15.132 1.00 0.00 H new ATOM 0 HB3 MET B 529 -1.084 1.379 -14.291 1.00 0.00 H new ATOM 0 HG2 MET B 529 1.367 2.560 -12.963 1.00 0.00 H new ATOM 0 HG3 MET B 529 -0.172 3.397 -12.984 1.00 0.00 H new ATOM 0 HE1 MET B 529 0.186 1.973 -9.299 1.00 0.00 H new ATOM 0 HE2 MET B 529 1.373 2.727 -10.389 1.00 0.00 H new ATOM 0 HE3 MET B 529 -0.259 3.420 -10.235 1.00 0.00 H new ATOM 2724 N ARG B 530 3.131 0.092 -15.505 1.00 0.00 N ATOM 2725 CA ARG B 530 4.492 0.385 -15.963 1.00 0.00 C ATOM 2726 C ARG B 530 4.540 0.687 -17.472 1.00 0.00 C ATOM 2727 O ARG B 530 5.119 1.698 -17.881 1.00 0.00 O ATOM 2728 CB ARG B 530 5.447 -0.770 -15.594 1.00 0.00 C ATOM 2729 CG ARG B 530 4.931 -2.172 -15.919 1.00 0.00 C ATOM 2730 CD ARG B 530 6.058 -3.191 -15.938 1.00 0.00 C ATOM 2731 NE ARG B 530 5.574 -4.543 -16.241 1.00 0.00 N ATOM 2732 CZ ARG B 530 6.360 -5.618 -16.395 1.00 0.00 C ATOM 2733 NH1 ARG B 530 7.683 -5.526 -16.280 1.00 0.00 N ATOM 2734 NH2 ARG B 530 5.812 -6.795 -16.668 1.00 0.00 N ATOM 0 H ARG B 530 2.918 -0.904 -15.452 1.00 0.00 H new ATOM 0 HA ARG B 530 4.826 1.286 -15.449 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.392 -0.619 -16.115 1.00 0.00 H new ATOM 0 HB3 ARG B 530 5.659 -0.717 -14.526 1.00 0.00 H new ATOM 0 HG2 ARG B 530 4.186 -2.467 -15.180 1.00 0.00 H new ATOM 0 HG3 ARG B 530 4.432 -2.162 -16.888 1.00 0.00 H new ATOM 0 HD2 ARG B 530 6.800 -2.897 -16.681 1.00 0.00 H new ATOM 0 HD3 ARG B 530 6.560 -3.194 -14.970 1.00 0.00 H new ATOM 0 HE ARG B 530 4.567 -4.674 -16.342 1.00 0.00 H new ATOM 0 HH11 ARG B 530 8.115 -4.626 -16.071 1.00 0.00 H new ATOM 0 HH12 ARG B 530 8.264 -6.355 -16.401 1.00 0.00 H new ATOM 0 HH21 ARG B 530 4.799 -6.877 -16.759 1.00 0.00 H new ATOM 0 HH22 ARG B 530 6.403 -7.618 -16.787 1.00 0.00 H new