USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 53 TYR OH : rot 168:sc= -0.644! USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.711 K(o=0.067,f=-5.2!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.448 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.496 K(o=0.94,f=0.0095) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 1.28 (180deg=0.969) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 68:sc= 1.31 USER MOD Single : A 59 THR OG1 : rot -39:sc= 1.3 USER MOD Single : A 61 SER OG : rot 22:sc= 0.629 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 2.26 (180deg=0.841) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1 (180deg=0.761) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0114 (180deg=-0.231) USER MOD Single : A 76 MET CE :methyl -118:sc= -3.11! (180deg=-4.19!) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.699) USER MOD Single : A 79 SER OG : rot -62:sc= 1.3 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= 0.2 (180deg=0.0832) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0526 (180deg=-0.244) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0585 F(o=-2.4!,f=-0.059) USER MOD Single : A 114 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.07) USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.12) USER MOD Single : A 120 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.1!) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.158 F(o=-0.72,f=-0.16) USER MOD Single : A 134 SER OG : rot -148:sc= 1.31 USER MOD Single : A 135 LYS NZ :NH3+ -161:sc= 1.8 (180deg=-0.312!) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -15.754 -5.730 -1.045 1.00 1.02 N ATOM 102 CA GLU A 43 -14.877 -6.539 -0.219 1.00 0.97 C ATOM 103 C GLU A 43 -13.434 -6.270 -0.612 1.00 0.80 C ATOM 104 O GLU A 43 -13.056 -6.446 -1.769 1.00 0.79 O ATOM 105 CB GLU A 43 -15.199 -8.028 -0.367 1.00 1.17 C ATOM 106 CG GLU A 43 -16.603 -8.406 0.079 1.00 1.78 C ATOM 107 CD GLU A 43 -16.870 -9.891 -0.058 1.00 2.27 C ATOM 108 OE1 GLU A 43 -17.071 -10.363 -1.198 1.00 3.10 O ATOM 109 OE2 GLU A 43 -16.907 -10.592 0.977 1.00 2.15 O ATOM 0 HA GLU A 43 -15.029 -6.270 0.826 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.071 -8.315 -1.411 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -14.478 -8.604 0.212 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -16.744 -8.108 1.118 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -17.331 -7.852 -0.513 1.00 1.78 H new ATOM 116 N TRP A 44 -12.638 -5.828 0.345 1.00 0.71 N ATOM 117 CA TRP A 44 -11.266 -5.466 0.063 1.00 0.60 C ATOM 118 C TRP A 44 -10.459 -6.722 -0.217 1.00 0.60 C ATOM 119 O TRP A 44 -10.171 -7.505 0.687 1.00 0.64 O ATOM 120 CB TRP A 44 -10.668 -4.677 1.233 1.00 0.57 C ATOM 121 CG TRP A 44 -9.546 -3.767 0.823 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.476 -3.029 -0.323 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.350 -3.474 1.560 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.310 -2.308 -0.349 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.604 -2.559 0.793 1.00 0.41 C ATOM 126 CE3 TRP A 44 -7.836 -3.898 2.786 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.376 -2.059 1.212 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.614 -3.398 3.203 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.897 -2.487 2.415 1.00 0.44 C ATOM 0 H TRP A 44 -12.919 -5.712 1.319 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.235 -4.826 -0.818 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.454 -4.085 1.702 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.303 -5.376 1.985 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.229 -3.015 -1.097 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -8.017 -1.684 -1.101 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.381 -4.602 3.398 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.822 -1.357 0.607 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.206 -3.715 4.151 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -4.946 -2.117 2.768 1.00 0.44 H new ATOM 140 N VAL A 45 -10.106 -6.913 -1.483 1.00 0.61 N ATOM 141 CA VAL A 45 -9.376 -8.102 -1.914 1.00 0.64 C ATOM 142 C VAL A 45 -7.967 -8.149 -1.330 1.00 0.57 C ATOM 143 O VAL A 45 -7.209 -9.075 -1.591 1.00 0.69 O ATOM 144 CB VAL A 45 -9.298 -8.200 -3.453 1.00 0.72 C ATOM 145 CG1 VAL A 45 -10.685 -8.403 -4.044 1.00 1.45 C ATOM 146 CG2 VAL A 45 -8.638 -6.962 -4.048 1.00 1.28 C ATOM 0 H VAL A 45 -10.315 -6.255 -2.234 1.00 0.61 H new ATOM 0 HA VAL A 45 -9.938 -8.956 -1.536 1.00 0.64 H new ATOM 0 HB VAL A 45 -8.683 -9.063 -3.706 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -10.612 -8.470 -5.129 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -11.116 -9.324 -3.652 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -11.322 -7.561 -3.775 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -8.596 -7.058 -5.133 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.218 -6.078 -3.784 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -7.627 -6.864 -3.653 1.00 1.28 H new ATOM 156 N VAL A 46 -7.619 -7.134 -0.556 1.00 0.46 N ATOM 157 CA VAL A 46 -6.360 -7.118 0.166 1.00 0.42 C ATOM 158 C VAL A 46 -6.585 -7.571 1.609 1.00 0.38 C ATOM 159 O VAL A 46 -5.679 -8.077 2.266 1.00 0.41 O ATOM 160 CB VAL A 46 -5.727 -5.711 0.156 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.373 -5.722 0.841 1.00 0.54 C ATOM 162 CG2 VAL A 46 -5.598 -5.187 -1.265 1.00 1.10 C ATOM 0 H VAL A 46 -8.196 -6.306 -0.412 1.00 0.46 H new ATOM 0 HA VAL A 46 -5.675 -7.804 -0.333 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.386 -5.043 0.711 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -3.947 -4.719 0.821 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.491 -6.046 1.875 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -3.707 -6.409 0.319 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.149 -4.194 -1.247 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -4.967 -5.860 -1.845 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -6.585 -5.131 -1.723 1.00 1.10 H new ATOM 172 N GLY A 47 -7.817 -7.409 2.081 1.00 0.40 N ATOM 173 CA GLY A 47 -8.154 -7.768 3.445 1.00 0.47 C ATOM 174 C GLY A 47 -8.225 -9.268 3.645 1.00 0.49 C ATOM 175 O GLY A 47 -8.105 -9.761 4.767 1.00 0.59 O ATOM 0 H GLY A 47 -8.593 -7.032 1.537 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.411 -7.348 4.123 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.113 -7.323 3.709 1.00 0.47 H new ATOM 179 N LYS A 48 -8.413 -9.996 2.555 1.00 0.49 N ATOM 180 CA LYS A 48 -8.474 -11.447 2.613 1.00 0.61 C ATOM 181 C LYS A 48 -7.081 -12.036 2.805 1.00 0.60 C ATOM 182 O LYS A 48 -6.928 -13.133 3.340 1.00 0.73 O ATOM 183 CB LYS A 48 -9.134 -12.005 1.349 1.00 0.72 C ATOM 184 CG LYS A 48 -8.479 -11.556 0.050 1.00 0.74 C ATOM 185 CD LYS A 48 -9.297 -11.991 -1.155 1.00 0.96 C ATOM 186 CE LYS A 48 -9.381 -13.504 -1.251 1.00 1.82 C ATOM 187 NZ LYS A 48 -10.550 -13.936 -2.055 1.00 2.46 N ATOM 0 H LYS A 48 -8.526 -9.605 1.620 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.082 -11.734 3.471 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.116 -13.094 1.394 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.182 -11.704 1.337 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.373 -10.471 0.049 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -7.475 -11.975 -0.018 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -10.301 -11.573 -1.085 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -8.848 -11.592 -2.065 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -8.467 -13.892 -1.700 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -9.450 -13.929 -0.250 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -10.576 -14.975 -2.099 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.424 -13.586 -1.613 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -10.471 -13.550 -3.018 1.00 2.46 H new ATOM 201 N ASP A 49 -6.065 -11.290 2.383 1.00 0.48 N ATOM 202 CA ASP A 49 -4.684 -11.709 2.574 1.00 0.50 C ATOM 203 C ASP A 49 -4.060 -10.938 3.735 1.00 0.44 C ATOM 204 O ASP A 49 -2.849 -10.725 3.764 1.00 0.45 O ATOM 205 CB ASP A 49 -3.853 -11.429 1.311 1.00 0.60 C ATOM 206 CG ASP A 49 -4.207 -12.292 0.113 1.00 1.16 C ATOM 207 OD1 ASP A 49 -5.334 -12.167 -0.399 1.00 1.66 O ATOM 208 OD2 ASP A 49 -3.329 -13.055 -0.355 1.00 1.52 O ATOM 0 H ASP A 49 -6.173 -10.394 1.908 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.684 -12.778 2.785 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -3.977 -10.382 1.036 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -2.799 -11.574 1.547 1.00 0.60 H new ATOM 213 N LYS A 50 -4.868 -10.581 4.735 1.00 0.43 N ATOM 214 CA LYS A 50 -4.357 -9.808 5.867 1.00 0.49 C ATOM 215 C LYS A 50 -3.480 -10.646 6.789 1.00 0.45 C ATOM 216 O LYS A 50 -2.380 -10.222 7.088 1.00 0.45 O ATOM 217 CB LYS A 50 -5.461 -9.135 6.690 1.00 0.70 C ATOM 218 CG LYS A 50 -6.012 -7.847 6.090 1.00 0.72 C ATOM 219 CD LYS A 50 -4.925 -6.879 5.617 1.00 0.90 C ATOM 220 CE LYS A 50 -3.906 -6.514 6.698 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.537 -6.048 7.956 1.00 1.15 N ATOM 0 H LYS A 50 -5.861 -10.810 4.785 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.751 -9.023 5.415 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.282 -9.841 6.816 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.072 -8.918 7.685 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -6.658 -8.095 5.248 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.634 -7.347 6.832 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.400 -7.323 4.772 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -5.398 -5.966 5.254 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -3.283 -7.383 6.911 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -3.246 -5.734 6.319 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -3.808 -5.657 8.586 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -5.239 -5.312 7.740 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -5.008 -6.848 8.425 1.00 1.15 H new ATOM 235 N PRO A 51 -3.929 -11.845 7.249 1.00 0.49 N ATOM 236 CA PRO A 51 -3.159 -12.680 8.186 1.00 0.58 C ATOM 237 C PRO A 51 -1.683 -12.772 7.812 1.00 0.46 C ATOM 238 O PRO A 51 -0.803 -12.663 8.670 1.00 0.47 O ATOM 239 CB PRO A 51 -3.826 -14.065 8.087 1.00 0.69 C ATOM 240 CG PRO A 51 -4.859 -13.946 7.012 1.00 0.75 C ATOM 241 CD PRO A 51 -5.205 -12.489 6.924 1.00 0.55 C ATOM 0 HA PRO A 51 -3.171 -12.262 9.193 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.094 -14.835 7.842 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -4.281 -14.348 9.036 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -4.475 -14.313 6.060 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.740 -14.542 7.251 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.558 -12.214 5.930 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.990 -12.214 7.628 1.00 0.55 H new ATOM 249 N THR A 52 -1.420 -12.928 6.522 1.00 0.38 N ATOM 250 CA THR A 52 -0.060 -13.023 6.025 1.00 0.36 C ATOM 251 C THR A 52 0.666 -11.680 6.144 1.00 0.26 C ATOM 252 O THR A 52 1.800 -11.613 6.631 1.00 0.28 O ATOM 253 CB THR A 52 -0.060 -13.470 4.551 1.00 0.42 C ATOM 254 OG1 THR A 52 -0.950 -14.581 4.389 1.00 0.68 O ATOM 255 CG2 THR A 52 1.337 -13.870 4.093 1.00 0.66 C ATOM 0 H THR A 52 -2.137 -12.991 5.799 1.00 0.38 H new ATOM 0 HA THR A 52 0.464 -13.761 6.632 1.00 0.36 H new ATOM 0 HB THR A 52 -0.392 -12.630 3.941 1.00 0.42 H new ATOM 0 HG1 THR A 52 -0.952 -14.865 3.451 1.00 0.68 H new ATOM 0 HG21 THR A 52 1.303 -14.180 3.049 1.00 0.66 H new ATOM 0 HG22 THR A 52 2.011 -13.020 4.197 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.698 -14.696 4.705 1.00 0.66 H new ATOM 263 N TYR A 53 -0.008 -10.604 5.747 1.00 0.22 N ATOM 264 CA TYR A 53 0.622 -9.293 5.719 1.00 0.23 C ATOM 265 C TYR A 53 0.731 -8.721 7.125 1.00 0.23 C ATOM 266 O TYR A 53 1.585 -7.889 7.378 1.00 0.24 O ATOM 267 CB TYR A 53 -0.153 -8.315 4.825 1.00 0.33 C ATOM 268 CG TYR A 53 -0.385 -8.812 3.415 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.451 -9.770 2.853 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.419 -8.309 2.637 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.260 -10.213 1.560 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.621 -8.751 1.346 1.00 0.62 C ATOM 273 CZ TYR A 53 -0.847 -9.752 0.841 1.00 0.57 C ATOM 274 OH TYR A 53 -0.957 -10.125 -0.485 1.00 0.69 O ATOM 0 H TYR A 53 -0.982 -10.616 5.443 1.00 0.22 H new ATOM 0 HA TYR A 53 1.621 -9.422 5.303 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -1.118 -8.105 5.287 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.392 -7.372 4.781 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.264 -10.174 3.438 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.077 -7.558 3.050 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.956 -10.906 1.110 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.392 -8.304 0.736 1.00 0.62 H new ATOM 0 HH TYR A 53 -1.853 -9.904 -0.814 1.00 0.69 H new ATOM 284 N ASP A 54 -0.112 -9.196 8.037 1.00 0.28 N ATOM 285 CA ASP A 54 -0.033 -8.793 9.437 1.00 0.35 C ATOM 286 C ASP A 54 1.170 -9.468 10.070 1.00 0.33 C ATOM 287 O ASP A 54 1.969 -8.834 10.770 1.00 0.35 O ATOM 288 CB ASP A 54 -1.302 -9.186 10.214 1.00 0.51 C ATOM 289 CG ASP A 54 -2.478 -8.238 10.018 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.501 -7.163 10.658 1.00 1.83 O ATOM 291 OD2 ASP A 54 -3.360 -8.534 9.184 1.00 2.18 O ATOM 0 H ASP A 54 -0.858 -9.861 7.831 1.00 0.28 H new ATOM 0 HA ASP A 54 0.063 -7.708 9.479 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.604 -10.188 9.910 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.063 -9.234 11.276 1.00 0.51 H new ATOM 296 N GLU A 55 1.301 -10.761 9.776 1.00 0.35 N ATOM 297 CA GLU A 55 2.413 -11.566 10.259 1.00 0.43 C ATOM 298 C GLU A 55 3.739 -10.912 9.901 1.00 0.38 C ATOM 299 O GLU A 55 4.660 -10.855 10.712 1.00 0.46 O ATOM 300 CB GLU A 55 2.348 -12.964 9.641 1.00 0.54 C ATOM 301 CG GLU A 55 2.612 -14.092 10.624 1.00 1.31 C ATOM 302 CD GLU A 55 1.488 -14.259 11.624 1.00 1.54 C ATOM 303 OE1 GLU A 55 0.353 -14.566 11.205 1.00 1.65 O ATOM 304 OE2 GLU A 55 1.730 -14.055 12.832 1.00 2.33 O ATOM 0 H GLU A 55 0.638 -11.276 9.197 1.00 0.35 H new ATOM 0 HA GLU A 55 2.340 -11.643 11.344 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.363 -13.107 9.197 1.00 0.54 H new ATOM 0 HB3 GLU A 55 3.075 -13.025 8.831 1.00 0.54 H new ATOM 0 HG2 GLU A 55 2.749 -15.024 10.076 1.00 1.31 H new ATOM 0 HG3 GLU A 55 3.543 -13.896 11.157 1.00 1.31 H new ATOM 311 N ILE A 56 3.817 -10.403 8.679 1.00 0.32 N ATOM 312 CA ILE A 56 5.031 -9.764 8.194 1.00 0.35 C ATOM 313 C ILE A 56 5.145 -8.324 8.704 1.00 0.32 C ATOM 314 O ILE A 56 6.187 -7.927 9.219 1.00 0.45 O ATOM 315 CB ILE A 56 5.068 -9.783 6.653 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.984 -11.230 6.161 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.335 -9.118 6.135 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.662 -11.357 4.693 1.00 0.64 C ATOM 0 H ILE A 56 3.052 -10.421 8.005 1.00 0.32 H new ATOM 0 HA ILE A 56 5.881 -10.328 8.579 1.00 0.35 H new ATOM 0 HB ILE A 56 4.215 -9.222 6.271 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.934 -11.727 6.359 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.223 -11.756 6.737 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.340 -9.143 5.045 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.367 -8.083 6.474 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.207 -9.651 6.514 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.620 -12.411 4.420 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.698 -10.891 4.490 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.435 -10.861 4.107 1.00 0.64 H new ATOM 330 N PHE A 57 4.055 -7.570 8.592 1.00 0.20 N ATOM 331 CA PHE A 57 4.026 -6.148 8.956 1.00 0.19 C ATOM 332 C PHE A 57 4.552 -5.908 10.368 1.00 0.16 C ATOM 333 O PHE A 57 5.255 -4.925 10.619 1.00 0.15 O ATOM 334 CB PHE A 57 2.587 -5.623 8.834 1.00 0.21 C ATOM 335 CG PHE A 57 2.403 -4.166 9.158 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.830 -3.190 8.274 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.829 -3.772 10.354 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.683 -1.852 8.574 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.676 -2.434 10.658 1.00 0.25 C ATOM 340 CZ PHE A 57 2.018 -1.478 9.743 1.00 0.27 C ATOM 0 H PHE A 57 3.163 -7.924 8.246 1.00 0.20 H new ATOM 0 HA PHE A 57 4.681 -5.610 8.271 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.239 -5.798 7.816 1.00 0.21 H new ATOM 0 HB3 PHE A 57 1.947 -6.208 9.494 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.284 -3.480 7.338 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.497 -4.520 11.058 1.00 0.22 H new ATOM 0 HE1 PHE A 57 3.080 -1.099 7.909 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.285 -2.142 11.621 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.776 -0.441 9.923 1.00 0.27 H new ATOM 350 N TYR A 58 4.246 -6.821 11.280 1.00 0.19 N ATOM 351 CA TYR A 58 4.599 -6.623 12.680 1.00 0.22 C ATOM 352 C TYR A 58 6.078 -6.896 12.925 1.00 0.26 C ATOM 353 O TYR A 58 6.636 -6.457 13.925 1.00 0.39 O ATOM 354 CB TYR A 58 3.737 -7.502 13.593 1.00 0.26 C ATOM 355 CG TYR A 58 2.250 -7.232 13.479 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.773 -6.037 12.950 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.326 -8.176 13.902 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.419 -5.795 12.838 1.00 1.17 C ATOM 359 CE2 TYR A 58 -0.029 -7.942 13.797 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.477 -6.752 13.264 1.00 0.83 C ATOM 361 OH TYR A 58 -1.824 -6.519 13.156 1.00 1.05 O ATOM 0 H TYR A 58 3.760 -7.695 11.080 1.00 0.19 H new ATOM 0 HA TYR A 58 4.404 -5.578 12.920 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.925 -8.549 13.356 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.046 -7.348 14.627 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.475 -5.285 12.621 1.00 1.07 H new ATOM 0 HD2 TYR A 58 1.673 -9.109 14.320 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.065 -4.864 12.420 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -0.736 -8.687 14.131 1.00 1.17 H new ATOM 0 HH TYR A 58 -2.079 -6.507 12.210 1.00 1.05 H new ATOM 371 N THR A 59 6.723 -7.596 11.996 1.00 0.25 N ATOM 372 CA THR A 59 8.136 -7.918 12.144 1.00 0.29 C ATOM 373 C THR A 59 8.999 -6.776 11.618 1.00 0.29 C ATOM 374 O THR A 59 10.220 -6.770 11.780 1.00 0.36 O ATOM 375 CB THR A 59 8.512 -9.230 11.421 1.00 0.35 C ATOM 376 OG1 THR A 59 8.409 -9.076 10.000 1.00 0.44 O ATOM 377 CG2 THR A 59 7.617 -10.373 11.870 1.00 0.38 C ATOM 0 H THR A 59 6.293 -7.948 11.141 1.00 0.25 H new ATOM 0 HA THR A 59 8.323 -8.058 13.209 1.00 0.29 H new ATOM 0 HB THR A 59 9.544 -9.464 11.681 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.623 -8.532 9.786 1.00 0.44 H new ATOM 0 HG21 THR A 59 7.902 -11.286 11.346 1.00 0.38 H new ATOM 0 HG22 THR A 59 7.728 -10.521 12.944 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.578 -10.133 11.642 1.00 0.38 H new ATOM 385 N LEU A 60 8.344 -5.801 10.997 1.00 0.26 N ATOM 386 CA LEU A 60 9.019 -4.631 10.453 1.00 0.27 C ATOM 387 C LEU A 60 8.974 -3.482 11.452 1.00 0.30 C ATOM 388 O LEU A 60 9.186 -2.325 11.087 1.00 0.38 O ATOM 389 CB LEU A 60 8.363 -4.203 9.132 1.00 0.29 C ATOM 390 CG LEU A 60 8.862 -4.923 7.872 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.556 -6.407 7.919 1.00 1.37 C ATOM 392 CD2 LEU A 60 8.241 -4.305 6.633 1.00 1.22 C ATOM 0 H LEU A 60 7.334 -5.800 10.857 1.00 0.26 H new ATOM 0 HA LEU A 60 10.060 -4.891 10.261 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.288 -4.360 9.215 1.00 0.29 H new ATOM 0 HB3 LEU A 60 8.519 -3.132 9.001 1.00 0.29 H new ATOM 0 HG LEU A 60 9.945 -4.804 7.831 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.924 -6.883 7.010 1.00 1.37 H new ATOM 0 HD12 LEU A 60 9.045 -6.852 8.786 1.00 1.37 H new ATOM 0 HD13 LEU A 60 7.479 -6.554 7.995 1.00 1.37 H new ATOM 0 HD21 LEU A 60 8.603 -4.825 5.746 1.00 1.22 H new ATOM 0 HD22 LEU A 60 7.156 -4.393 6.687 1.00 1.22 H new ATOM 0 HD23 LEU A 60 8.517 -3.252 6.574 1.00 1.22 H new ATOM 404 N SER A 61 8.723 -3.828 12.717 1.00 0.27 N ATOM 405 CA SER A 61 8.589 -2.859 13.808 1.00 0.30 C ATOM 406 C SER A 61 7.625 -1.724 13.447 1.00 0.28 C ATOM 407 O SER A 61 8.037 -0.639 13.033 1.00 0.36 O ATOM 408 CB SER A 61 9.961 -2.315 14.251 1.00 0.41 C ATOM 409 OG SER A 61 10.761 -1.909 13.151 1.00 1.24 O ATOM 0 H SER A 61 8.606 -4.796 13.015 1.00 0.27 H new ATOM 0 HA SER A 61 8.157 -3.389 14.657 1.00 0.30 H new ATOM 0 HB2 SER A 61 9.814 -1.469 14.922 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.488 -3.083 14.817 1.00 0.41 H new ATOM 0 HG SER A 61 10.186 -1.721 12.380 1.00 1.24 H new ATOM 415 N PRO A 62 6.316 -1.974 13.589 1.00 0.24 N ATOM 416 CA PRO A 62 5.289 -1.005 13.238 1.00 0.29 C ATOM 417 C PRO A 62 5.008 -0.016 14.365 1.00 0.32 C ATOM 418 O PRO A 62 4.557 -0.393 15.449 1.00 0.47 O ATOM 419 CB PRO A 62 4.070 -1.883 12.969 1.00 0.35 C ATOM 420 CG PRO A 62 4.250 -3.087 13.834 1.00 0.33 C ATOM 421 CD PRO A 62 5.731 -3.225 14.107 1.00 0.23 C ATOM 0 HA PRO A 62 5.580 -0.381 12.393 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.146 -1.358 13.213 1.00 0.35 H new ATOM 0 HB3 PRO A 62 4.010 -2.161 11.917 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.696 -2.977 14.766 1.00 0.33 H new ATOM 0 HG3 PRO A 62 3.866 -3.978 13.338 1.00 0.33 H new ATOM 0 HD2 PRO A 62 5.929 -3.346 15.172 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.148 -4.097 13.604 1.00 0.23 H new ATOM 429 N VAL A 63 5.274 1.251 14.107 1.00 0.29 N ATOM 430 CA VAL A 63 5.011 2.292 15.079 1.00 0.36 C ATOM 431 C VAL A 63 3.584 2.817 14.915 1.00 0.37 C ATOM 432 O VAL A 63 3.230 3.395 13.887 1.00 0.38 O ATOM 433 CB VAL A 63 6.033 3.454 14.984 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.411 2.982 15.421 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.099 4.038 13.576 1.00 1.02 C ATOM 0 H VAL A 63 5.673 1.583 13.229 1.00 0.29 H new ATOM 0 HA VAL A 63 5.120 1.851 16.070 1.00 0.36 H new ATOM 0 HB VAL A 63 5.694 4.244 15.654 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.118 3.808 15.349 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.366 2.632 16.452 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.738 2.167 14.775 1.00 1.02 H new ATOM 0 HG21 VAL A 63 6.827 4.849 13.552 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.399 3.261 12.873 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.118 4.422 13.295 1.00 1.02 H new ATOM 445 N ASN A 64 2.761 2.562 15.927 1.00 0.44 N ATOM 446 CA ASN A 64 1.362 2.999 15.950 1.00 0.52 C ATOM 447 C ASN A 64 0.556 2.355 14.822 1.00 0.44 C ATOM 448 O ASN A 64 -0.434 2.915 14.355 1.00 0.50 O ATOM 449 CB ASN A 64 1.263 4.527 15.858 1.00 0.64 C ATOM 450 CG ASN A 64 1.972 5.236 16.997 1.00 0.84 C ATOM 451 OD1 ASN A 64 2.076 4.580 18.144 1.00 1.34 O flip ATOM 452 ND2 ASN A 64 2.430 6.370 16.846 1.00 1.31 N flip ATOM 0 H ASN A 64 3.043 2.045 16.760 1.00 0.44 H new ATOM 0 HA ASN A 64 0.938 2.676 16.901 1.00 0.52 H new ATOM 0 HB2 ASN A 64 1.689 4.857 14.911 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.213 4.818 15.854 1.00 0.64 H new ATOM 0 HD21 ASN A 64 2.331 6.845 15.949 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.908 6.834 17.618 1.00 1.31 H new ATOM 459 N GLY A 65 0.973 1.164 14.410 1.00 0.40 N ATOM 460 CA GLY A 65 0.277 0.450 13.352 1.00 0.43 C ATOM 461 C GLY A 65 0.685 0.925 11.972 1.00 0.33 C ATOM 462 O GLY A 65 -0.055 0.760 11.003 1.00 0.35 O ATOM 0 H GLY A 65 1.784 0.677 14.791 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.481 -0.617 13.442 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.798 0.580 13.475 1.00 0.43 H new ATOM 466 N LYS A 66 1.868 1.511 11.891 1.00 0.28 N ATOM 467 CA LYS A 66 2.391 2.064 10.651 1.00 0.26 C ATOM 468 C LYS A 66 3.891 1.825 10.584 1.00 0.23 C ATOM 469 O LYS A 66 4.584 1.926 11.592 1.00 0.27 O ATOM 470 CB LYS A 66 2.111 3.570 10.584 1.00 0.34 C ATOM 471 CG LYS A 66 0.632 3.923 10.570 1.00 0.64 C ATOM 472 CD LYS A 66 0.404 5.405 10.822 1.00 0.75 C ATOM 473 CE LYS A 66 1.000 6.275 9.721 1.00 1.05 C ATOM 474 NZ LYS A 66 0.423 5.965 8.386 1.00 1.48 N ATOM 0 H LYS A 66 2.496 1.617 12.687 1.00 0.28 H new ATOM 0 HA LYS A 66 1.902 1.574 9.809 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.582 4.055 11.439 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.580 3.977 9.688 1.00 0.34 H new ATOM 0 HG2 LYS A 66 0.201 3.647 9.607 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.112 3.341 11.330 1.00 0.64 H new ATOM 0 HD2 LYS A 66 -0.666 5.599 10.896 1.00 0.75 H new ATOM 0 HD3 LYS A 66 0.845 5.681 11.780 1.00 0.75 H new ATOM 0 HE2 LYS A 66 0.825 7.325 9.955 1.00 1.05 H new ATOM 0 HE3 LYS A 66 2.080 6.131 9.691 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 0.492 6.804 7.775 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 0.949 5.178 7.955 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -0.576 5.696 8.493 1.00 1.48 H new ATOM 488 N ILE A 67 4.395 1.504 9.410 1.00 0.25 N ATOM 489 CA ILE A 67 5.824 1.291 9.250 1.00 0.27 C ATOM 490 C ILE A 67 6.458 2.425 8.463 1.00 0.26 C ATOM 491 O ILE A 67 5.796 3.101 7.670 1.00 0.29 O ATOM 492 CB ILE A 67 6.163 -0.046 8.561 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.464 -0.154 7.205 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.801 -1.216 9.461 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.955 -1.311 6.368 1.00 0.64 C ATOM 0 H ILE A 67 3.845 1.385 8.559 1.00 0.25 H new ATOM 0 HA ILE A 67 6.233 1.260 10.260 1.00 0.27 H new ATOM 0 HB ILE A 67 7.238 -0.077 8.382 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.391 -0.260 7.365 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.613 0.774 6.653 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.047 -2.151 8.958 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.363 -1.146 10.393 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.733 -1.191 9.678 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.417 -1.328 5.420 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.022 -1.195 6.178 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.781 -2.246 6.901 1.00 0.64 H new ATOM 507 N THR A 68 7.744 2.618 8.693 1.00 0.32 N ATOM 508 CA THR A 68 8.503 3.663 8.037 1.00 0.36 C ATOM 509 C THR A 68 8.855 3.270 6.609 1.00 0.33 C ATOM 510 O THR A 68 8.824 2.084 6.251 1.00 0.33 O ATOM 511 CB THR A 68 9.791 3.963 8.822 1.00 0.45 C ATOM 512 OG1 THR A 68 10.507 2.743 9.068 1.00 0.55 O ATOM 513 CG2 THR A 68 9.477 4.634 10.150 1.00 0.50 C ATOM 0 H THR A 68 8.291 2.052 9.342 1.00 0.32 H new ATOM 0 HA THR A 68 7.881 4.558 8.008 1.00 0.36 H new ATOM 0 HB THR A 68 10.402 4.639 8.224 1.00 0.45 H new ATOM 0 HG1 THR A 68 11.327 2.940 9.567 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.405 4.835 10.685 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.952 5.572 9.969 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.848 3.977 10.750 1.00 0.50 H new ATOM 521 N GLY A 69 9.198 4.267 5.799 1.00 0.37 N ATOM 522 CA GLY A 69 9.570 4.017 4.426 1.00 0.41 C ATOM 523 C GLY A 69 10.824 3.179 4.328 1.00 0.35 C ATOM 524 O GLY A 69 11.055 2.527 3.321 1.00 0.37 O ATOM 0 H GLY A 69 9.224 5.248 6.075 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.752 3.509 3.915 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.726 4.966 3.913 1.00 0.41 H new ATOM 528 N ALA A 70 11.624 3.194 5.387 1.00 0.33 N ATOM 529 CA ALA A 70 12.850 2.404 5.443 1.00 0.33 C ATOM 530 C ALA A 70 12.562 0.908 5.337 1.00 0.31 C ATOM 531 O ALA A 70 13.197 0.195 4.558 1.00 0.34 O ATOM 532 CB ALA A 70 13.602 2.704 6.729 1.00 0.38 C ATOM 0 H ALA A 70 11.445 3.748 6.224 1.00 0.33 H new ATOM 0 HA ALA A 70 13.467 2.683 4.589 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.516 2.111 6.763 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.856 3.763 6.763 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.974 2.454 7.584 1.00 0.38 H new ATOM 538 N ASN A 71 11.596 0.443 6.113 1.00 0.33 N ATOM 539 CA ASN A 71 11.286 -0.982 6.171 1.00 0.36 C ATOM 540 C ASN A 71 10.408 -1.396 5.001 1.00 0.32 C ATOM 541 O ASN A 71 10.502 -2.519 4.502 1.00 0.32 O ATOM 542 CB ASN A 71 10.619 -1.330 7.504 1.00 0.46 C ATOM 543 CG ASN A 71 11.570 -1.149 8.671 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.294 -2.072 9.037 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.588 0.041 9.257 1.00 0.61 N ATOM 0 H ASN A 71 11.013 1.028 6.711 1.00 0.33 H new ATOM 0 HA ASN A 71 12.221 -1.538 6.099 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.742 -0.699 7.648 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.268 -2.362 7.477 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.218 0.214 10.040 1.00 0.61 H new ATOM 0 HD22 ASN A 71 10.972 0.783 8.924 1.00 0.61 H new ATOM 552 N ALA A 72 9.566 -0.478 4.553 1.00 0.32 N ATOM 553 CA ALA A 72 8.781 -0.704 3.353 1.00 0.33 C ATOM 554 C ALA A 72 9.714 -0.840 2.157 1.00 0.30 C ATOM 555 O ALA A 72 9.573 -1.748 1.342 1.00 0.32 O ATOM 556 CB ALA A 72 7.800 0.434 3.138 1.00 0.39 C ATOM 0 H ALA A 72 9.410 0.425 5.000 1.00 0.32 H new ATOM 0 HA ALA A 72 8.209 -1.625 3.466 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.220 0.248 2.234 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.128 0.501 3.993 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.347 1.371 3.032 1.00 0.39 H new ATOM 562 N LYS A 73 10.689 0.068 2.090 1.00 0.29 N ATOM 563 CA LYS A 73 11.725 0.041 1.064 1.00 0.30 C ATOM 564 C LYS A 73 12.457 -1.291 1.103 1.00 0.26 C ATOM 565 O LYS A 73 12.815 -1.846 0.066 1.00 0.27 O ATOM 566 CB LYS A 73 12.715 1.179 1.315 1.00 0.36 C ATOM 567 CG LYS A 73 13.758 1.385 0.231 1.00 0.47 C ATOM 568 CD LYS A 73 14.721 2.498 0.620 1.00 0.67 C ATOM 569 CE LYS A 73 15.781 2.740 -0.443 1.00 0.84 C ATOM 570 NZ LYS A 73 15.203 3.272 -1.705 1.00 0.76 N ATOM 0 H LYS A 73 10.780 0.842 2.748 1.00 0.29 H new ATOM 0 HA LYS A 73 11.266 0.165 0.083 1.00 0.30 H new ATOM 0 HB2 LYS A 73 12.154 2.106 1.437 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.228 0.990 2.258 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.310 0.459 0.069 1.00 0.47 H new ATOM 0 HG3 LYS A 73 13.268 1.633 -0.711 1.00 0.47 H new ATOM 0 HD2 LYS A 73 14.161 3.418 0.788 1.00 0.67 H new ATOM 0 HD3 LYS A 73 15.206 2.243 1.562 1.00 0.67 H new ATOM 0 HE2 LYS A 73 16.522 3.442 -0.061 1.00 0.84 H new ATOM 0 HE3 LYS A 73 16.304 1.806 -0.651 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 15.954 3.718 -2.270 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.778 2.493 -2.247 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 14.473 3.978 -1.482 1.00 0.76 H new ATOM 584 N LYS A 74 12.665 -1.793 2.318 1.00 0.26 N ATOM 585 CA LYS A 74 13.311 -3.077 2.531 1.00 0.29 C ATOM 586 C LYS A 74 12.554 -4.183 1.804 1.00 0.29 C ATOM 587 O LYS A 74 13.120 -4.867 0.955 1.00 0.35 O ATOM 588 CB LYS A 74 13.376 -3.388 4.028 1.00 0.34 C ATOM 589 CG LYS A 74 14.658 -4.082 4.450 1.00 1.03 C ATOM 590 CD LYS A 74 15.857 -3.169 4.248 1.00 1.05 C ATOM 591 CE LYS A 74 17.146 -3.813 4.722 1.00 1.63 C ATOM 592 NZ LYS A 74 17.117 -4.124 6.175 1.00 1.95 N ATOM 0 H LYS A 74 12.390 -1.319 3.178 1.00 0.26 H new ATOM 0 HA LYS A 74 14.324 -3.026 2.131 1.00 0.29 H new ATOM 0 HB2 LYS A 74 13.275 -2.459 4.588 1.00 0.34 H new ATOM 0 HB3 LYS A 74 12.527 -4.017 4.297 1.00 0.34 H new ATOM 0 HG2 LYS A 74 14.591 -4.375 5.498 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.790 -4.996 3.871 1.00 1.03 H new ATOM 0 HD2 LYS A 74 15.946 -2.915 3.192 1.00 1.05 H new ATOM 0 HD3 LYS A 74 15.698 -2.236 4.788 1.00 1.05 H new ATOM 0 HE2 LYS A 74 17.320 -4.730 4.159 1.00 1.63 H new ATOM 0 HE3 LYS A 74 17.982 -3.146 4.512 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 18.078 -4.354 6.500 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 16.762 -3.299 6.700 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 16.491 -4.937 6.344 1.00 1.95 H new ATOM 606 N GLU A 75 11.266 -4.328 2.116 1.00 0.31 N ATOM 607 CA GLU A 75 10.448 -5.395 1.530 1.00 0.35 C ATOM 608 C GLU A 75 10.303 -5.206 0.014 1.00 0.32 C ATOM 609 O GLU A 75 10.352 -6.170 -0.760 1.00 0.35 O ATOM 610 CB GLU A 75 9.060 -5.440 2.178 1.00 0.41 C ATOM 611 CG GLU A 75 8.269 -6.690 1.817 1.00 0.59 C ATOM 612 CD GLU A 75 8.846 -7.944 2.452 1.00 0.93 C ATOM 613 OE1 GLU A 75 9.941 -8.379 2.043 1.00 1.60 O ATOM 614 OE2 GLU A 75 8.207 -8.493 3.367 1.00 1.09 O ATOM 0 H GLU A 75 10.766 -3.724 2.768 1.00 0.31 H new ATOM 0 HA GLU A 75 10.957 -6.340 1.720 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.170 -5.388 3.261 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.495 -4.559 1.872 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.234 -6.567 2.137 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.256 -6.808 0.733 1.00 0.59 H new ATOM 621 N MET A 76 10.141 -3.961 -0.412 1.00 0.29 N ATOM 622 CA MET A 76 10.019 -3.657 -1.834 1.00 0.30 C ATOM 623 C MET A 76 11.320 -4.000 -2.551 1.00 0.30 C ATOM 624 O MET A 76 11.323 -4.360 -3.723 1.00 0.38 O ATOM 625 CB MET A 76 9.665 -2.181 -2.040 1.00 0.39 C ATOM 626 CG MET A 76 8.358 -1.770 -1.377 1.00 0.56 C ATOM 627 SD MET A 76 6.916 -2.564 -2.110 1.00 1.04 S ATOM 628 CE MET A 76 6.895 -1.782 -3.718 1.00 1.24 C ATOM 0 H MET A 76 10.091 -3.148 0.202 1.00 0.29 H new ATOM 0 HA MET A 76 9.215 -4.261 -2.255 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.472 -1.564 -1.646 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.600 -1.977 -3.109 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.402 -2.017 -0.316 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.246 -0.688 -1.448 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.969 -1.219 -3.837 1.00 1.24 H new ATOM 0 HE2 MET A 76 7.745 -1.106 -3.805 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.957 -2.545 -4.494 1.00 1.24 H new ATOM 638 N VAL A 77 12.421 -3.904 -1.829 1.00 0.29 N ATOM 639 CA VAL A 77 13.720 -4.288 -2.353 1.00 0.35 C ATOM 640 C VAL A 77 13.839 -5.817 -2.398 1.00 0.33 C ATOM 641 O VAL A 77 14.541 -6.376 -3.245 1.00 0.37 O ATOM 642 CB VAL A 77 14.850 -3.647 -1.501 1.00 0.51 C ATOM 643 CG1 VAL A 77 15.936 -4.645 -1.128 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.452 -2.456 -2.236 1.00 1.14 C ATOM 0 H VAL A 77 12.441 -3.560 -0.869 1.00 0.29 H new ATOM 0 HA VAL A 77 13.824 -3.918 -3.373 1.00 0.35 H new ATOM 0 HB VAL A 77 14.398 -3.307 -0.569 1.00 0.51 H new ATOM 0 HG11 VAL A 77 16.701 -4.145 -0.533 1.00 1.57 H new ATOM 0 HG12 VAL A 77 15.499 -5.458 -0.548 1.00 1.57 H new ATOM 0 HG13 VAL A 77 16.387 -5.048 -2.035 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.243 -2.015 -1.629 1.00 1.14 H new ATOM 0 HG22 VAL A 77 15.867 -2.788 -3.188 1.00 1.14 H new ATOM 0 HG23 VAL A 77 14.677 -1.711 -2.418 1.00 1.14 H new ATOM 654 N LYS A 78 13.123 -6.480 -1.495 1.00 0.36 N ATOM 655 CA LYS A 78 13.075 -7.938 -1.444 1.00 0.45 C ATOM 656 C LYS A 78 12.333 -8.508 -2.648 1.00 0.42 C ATOM 657 O LYS A 78 12.593 -9.636 -3.067 1.00 0.47 O ATOM 658 CB LYS A 78 12.353 -8.386 -0.178 1.00 0.61 C ATOM 659 CG LYS A 78 12.969 -7.871 1.108 1.00 0.71 C ATOM 660 CD LYS A 78 13.851 -8.912 1.752 1.00 1.25 C ATOM 661 CE LYS A 78 13.014 -10.093 2.204 1.00 1.79 C ATOM 662 NZ LYS A 78 11.962 -9.697 3.182 1.00 2.79 N ATOM 0 H LYS A 78 12.560 -6.022 -0.778 1.00 0.36 H new ATOM 0 HA LYS A 78 14.101 -8.305 -1.450 1.00 0.45 H new ATOM 0 HB2 LYS A 78 11.316 -8.054 -0.229 1.00 0.61 H new ATOM 0 HB3 LYS A 78 12.338 -9.476 -0.149 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.554 -6.975 0.900 1.00 0.71 H new ATOM 0 HG3 LYS A 78 12.179 -7.582 1.801 1.00 0.71 H new ATOM 0 HD2 LYS A 78 14.611 -9.244 1.045 1.00 1.25 H new ATOM 0 HD3 LYS A 78 14.375 -8.480 2.604 1.00 1.25 H new ATOM 0 HE2 LYS A 78 12.545 -10.557 1.336 1.00 1.79 H new ATOM 0 HE3 LYS A 78 13.662 -10.844 2.655 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 11.647 -10.535 3.712 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 12.350 -8.995 3.844 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 11.153 -9.285 2.674 1.00 2.79 H new ATOM 676 N SER A 79 11.407 -7.726 -3.194 1.00 0.40 N ATOM 677 CA SER A 79 10.577 -8.187 -4.305 1.00 0.43 C ATOM 678 C SER A 79 11.370 -8.257 -5.610 1.00 0.38 C ATOM 679 O SER A 79 10.932 -8.884 -6.575 1.00 0.44 O ATOM 680 CB SER A 79 9.362 -7.271 -4.473 1.00 0.54 C ATOM 681 OG SER A 79 9.735 -5.994 -4.966 1.00 1.27 O ATOM 0 H SER A 79 11.212 -6.773 -2.888 1.00 0.40 H new ATOM 0 HA SER A 79 10.237 -9.195 -4.069 1.00 0.43 H new ATOM 0 HB2 SER A 79 8.650 -7.732 -5.157 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.856 -7.158 -3.514 1.00 0.54 H new ATOM 0 HG SER A 79 10.325 -5.554 -4.320 1.00 1.27 H new ATOM 687 N LYS A 80 12.536 -7.605 -5.620 1.00 0.39 N ATOM 688 CA LYS A 80 13.428 -7.591 -6.786 1.00 0.42 C ATOM 689 C LYS A 80 12.801 -6.838 -7.958 1.00 0.35 C ATOM 690 O LYS A 80 13.251 -6.963 -9.102 1.00 0.45 O ATOM 691 CB LYS A 80 13.790 -9.019 -7.219 1.00 0.54 C ATOM 692 CG LYS A 80 14.464 -9.844 -6.131 1.00 0.85 C ATOM 693 CD LYS A 80 15.847 -9.310 -5.789 1.00 1.32 C ATOM 694 CE LYS A 80 16.501 -10.114 -4.675 1.00 2.10 C ATOM 695 NZ LYS A 80 17.883 -9.647 -4.400 1.00 2.97 N ATOM 0 H LYS A 80 12.889 -7.073 -4.824 1.00 0.39 H new ATOM 0 HA LYS A 80 14.339 -7.071 -6.489 1.00 0.42 H new ATOM 0 HB2 LYS A 80 12.883 -9.531 -7.540 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.451 -8.969 -8.084 1.00 0.54 H new ATOM 0 HG2 LYS A 80 13.842 -9.841 -5.236 1.00 0.85 H new ATOM 0 HG3 LYS A 80 14.546 -10.880 -6.459 1.00 0.85 H new ATOM 0 HD2 LYS A 80 16.478 -9.339 -6.677 1.00 1.32 H new ATOM 0 HD3 LYS A 80 15.769 -8.266 -5.487 1.00 1.32 H new ATOM 0 HE2 LYS A 80 15.902 -10.033 -3.768 1.00 2.10 H new ATOM 0 HE3 LYS A 80 16.521 -11.168 -4.951 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 18.297 -10.218 -3.635 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 18.461 -9.748 -5.259 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 17.861 -8.648 -4.113 1.00 2.97 H new ATOM 709 N LEU A 81 11.770 -6.052 -7.673 1.00 0.31 N ATOM 710 CA LEU A 81 11.080 -5.287 -8.702 1.00 0.30 C ATOM 711 C LEU A 81 11.802 -3.970 -8.983 1.00 0.30 C ATOM 712 O LEU A 81 12.461 -3.413 -8.103 1.00 0.41 O ATOM 713 CB LEU A 81 9.630 -5.018 -8.286 1.00 0.37 C ATOM 714 CG LEU A 81 8.757 -6.263 -8.106 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.352 -5.871 -7.679 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.716 -7.070 -9.392 1.00 0.47 C ATOM 0 H LEU A 81 11.393 -5.928 -6.733 1.00 0.31 H new ATOM 0 HA LEU A 81 11.080 -5.878 -9.618 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.636 -4.461 -7.349 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.168 -4.376 -9.036 1.00 0.37 H new ATOM 0 HG LEU A 81 9.194 -6.882 -7.322 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.746 -6.768 -7.556 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.397 -5.331 -6.733 1.00 0.52 H new ATOM 0 HD13 LEU A 81 6.905 -5.233 -8.441 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.092 -7.952 -9.248 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.301 -6.458 -10.193 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.726 -7.380 -9.659 1.00 0.47 H new ATOM 728 N PRO A 82 11.700 -3.467 -10.231 1.00 0.28 N ATOM 729 CA PRO A 82 12.331 -2.205 -10.642 1.00 0.34 C ATOM 730 C PRO A 82 11.926 -1.028 -9.757 1.00 0.33 C ATOM 731 O PRO A 82 10.799 -0.970 -9.260 1.00 0.27 O ATOM 732 CB PRO A 82 11.827 -2.002 -12.074 1.00 0.43 C ATOM 733 CG PRO A 82 11.481 -3.370 -12.551 1.00 0.44 C ATOM 734 CD PRO A 82 10.976 -4.108 -11.346 1.00 0.37 C ATOM 0 HA PRO A 82 13.417 -2.252 -10.562 1.00 0.34 H new ATOM 0 HB2 PRO A 82 10.959 -1.343 -12.099 1.00 0.43 H new ATOM 0 HB3 PRO A 82 12.592 -1.545 -12.702 1.00 0.43 H new ATOM 0 HG2 PRO A 82 10.722 -3.331 -13.332 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.352 -3.867 -12.977 1.00 0.44 H new ATOM 0 HD2 PRO A 82 9.896 -4.008 -11.236 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.193 -5.175 -11.407 1.00 0.37 H new ATOM 742 N ASN A 83 12.845 -0.081 -9.592 1.00 0.44 N ATOM 743 CA ASN A 83 12.649 1.040 -8.674 1.00 0.49 C ATOM 744 C ASN A 83 11.446 1.886 -9.076 1.00 0.42 C ATOM 745 O ASN A 83 10.720 2.388 -8.219 1.00 0.41 O ATOM 746 CB ASN A 83 13.902 1.923 -8.615 1.00 0.64 C ATOM 747 CG ASN A 83 15.130 1.191 -8.106 1.00 1.05 C ATOM 748 OD1 ASN A 83 14.925 0.207 -7.241 1.00 1.85 O flip ATOM 749 ND2 ASN A 83 16.255 1.506 -8.488 1.00 1.79 N flip ATOM 0 H ASN A 83 13.738 -0.067 -10.084 1.00 0.44 H new ATOM 0 HA ASN A 83 12.462 0.619 -7.686 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.108 2.315 -9.611 1.00 0.64 H new ATOM 0 HB3 ASN A 83 13.705 2.779 -7.970 1.00 0.64 H new ATOM 0 HD21 ASN A 83 16.372 2.269 -9.155 1.00 1.79 H new ATOM 0 HD22 ASN A 83 17.071 1.004 -8.138 1.00 1.79 H new ATOM 756 N THR A 84 11.229 2.036 -10.377 1.00 0.43 N ATOM 757 CA THR A 84 10.098 2.811 -10.865 1.00 0.45 C ATOM 758 C THR A 84 8.782 2.120 -10.494 1.00 0.35 C ATOM 759 O THR A 84 7.796 2.775 -10.159 1.00 0.34 O ATOM 760 CB THR A 84 10.175 3.044 -12.395 1.00 0.59 C ATOM 761 OG1 THR A 84 9.162 3.969 -12.809 1.00 1.47 O ATOM 762 CG2 THR A 84 10.013 1.743 -13.167 1.00 1.27 C ATOM 0 H THR A 84 11.817 1.634 -11.107 1.00 0.43 H new ATOM 0 HA THR A 84 10.136 3.788 -10.384 1.00 0.45 H new ATOM 0 HB THR A 84 11.161 3.455 -12.613 1.00 0.59 H new ATOM 0 HG1 THR A 84 9.222 4.109 -13.777 1.00 1.47 H new ATOM 0 HG21 THR A 84 10.072 1.945 -14.237 1.00 1.27 H new ATOM 0 HG22 THR A 84 10.806 1.051 -12.884 1.00 1.27 H new ATOM 0 HG23 THR A 84 9.045 1.300 -12.935 1.00 1.27 H new ATOM 770 N VAL A 85 8.792 0.790 -10.509 1.00 0.32 N ATOM 771 CA VAL A 85 7.615 0.016 -10.154 1.00 0.32 C ATOM 772 C VAL A 85 7.380 0.100 -8.653 1.00 0.26 C ATOM 773 O VAL A 85 6.241 0.191 -8.193 1.00 0.31 O ATOM 774 CB VAL A 85 7.756 -1.465 -10.582 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.510 -2.261 -10.214 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.031 -1.558 -12.075 1.00 0.45 C ATOM 0 H VAL A 85 9.605 0.229 -10.764 1.00 0.32 H new ATOM 0 HA VAL A 85 6.762 0.437 -10.686 1.00 0.32 H new ATOM 0 HB VAL A 85 8.600 -1.898 -10.045 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.635 -3.298 -10.526 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.359 -2.222 -9.135 1.00 0.44 H new ATOM 0 HG13 VAL A 85 5.643 -1.833 -10.717 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.128 -2.605 -12.363 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.206 -1.105 -12.626 1.00 0.45 H new ATOM 0 HG23 VAL A 85 8.956 -1.031 -12.308 1.00 0.45 H new ATOM 786 N LEU A 86 8.470 0.103 -7.895 1.00 0.24 N ATOM 787 CA LEU A 86 8.393 0.253 -6.449 1.00 0.28 C ATOM 788 C LEU A 86 7.766 1.601 -6.098 1.00 0.24 C ATOM 789 O LEU A 86 6.955 1.699 -5.173 1.00 0.28 O ATOM 790 CB LEU A 86 9.785 0.142 -5.817 1.00 0.37 C ATOM 791 CG LEU A 86 10.575 -1.123 -6.162 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.915 -1.124 -5.439 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.771 -2.363 -5.808 1.00 0.82 C ATOM 0 H LEU A 86 9.418 0.003 -8.259 1.00 0.24 H new ATOM 0 HA LEU A 86 7.769 -0.548 -6.051 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.372 1.008 -6.122 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.677 0.196 -4.734 1.00 0.37 H new ATOM 0 HG LEU A 86 10.765 -1.134 -7.235 1.00 0.51 H new ATOM 0 HD11 LEU A 86 12.465 -2.030 -5.694 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.493 -0.251 -5.742 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.748 -1.092 -4.362 1.00 0.90 H new ATOM 0 HD21 LEU A 86 10.347 -3.254 -6.059 1.00 0.82 H new ATOM 0 HD22 LEU A 86 9.552 -2.362 -4.740 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.837 -2.364 -6.370 1.00 0.82 H new ATOM 805 N GLY A 87 8.135 2.631 -6.856 1.00 0.23 N ATOM 806 CA GLY A 87 7.565 3.950 -6.659 1.00 0.26 C ATOM 807 C GLY A 87 6.096 3.983 -7.018 1.00 0.27 C ATOM 808 O GLY A 87 5.294 4.610 -6.326 1.00 0.32 O ATOM 0 H GLY A 87 8.823 2.573 -7.607 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.692 4.250 -5.619 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.105 4.675 -7.268 1.00 0.26 H new ATOM 812 N LYS A 88 5.754 3.290 -8.100 1.00 0.27 N ATOM 813 CA LYS A 88 4.368 3.142 -8.531 1.00 0.36 C ATOM 814 C LYS A 88 3.527 2.504 -7.430 1.00 0.33 C ATOM 815 O LYS A 88 2.448 2.992 -7.093 1.00 0.35 O ATOM 816 CB LYS A 88 4.303 2.274 -9.790 1.00 0.50 C ATOM 817 CG LYS A 88 4.784 2.983 -11.043 1.00 0.74 C ATOM 818 CD LYS A 88 3.807 4.064 -11.472 1.00 1.03 C ATOM 819 CE LYS A 88 2.472 3.467 -11.897 1.00 1.50 C ATOM 820 NZ LYS A 88 1.519 4.501 -12.384 1.00 1.89 N ATOM 0 H LYS A 88 6.428 2.816 -8.701 1.00 0.27 H new ATOM 0 HA LYS A 88 3.969 4.133 -8.749 1.00 0.36 H new ATOM 0 HB2 LYS A 88 4.905 1.379 -9.635 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.275 1.944 -9.941 1.00 0.50 H new ATOM 0 HG2 LYS A 88 5.763 3.426 -10.860 1.00 0.74 H new ATOM 0 HG3 LYS A 88 4.907 2.259 -11.849 1.00 0.74 H new ATOM 0 HD2 LYS A 88 3.650 4.762 -10.650 1.00 1.03 H new ATOM 0 HD3 LYS A 88 4.232 4.634 -12.298 1.00 1.03 H new ATOM 0 HE2 LYS A 88 2.640 2.732 -12.684 1.00 1.50 H new ATOM 0 HE3 LYS A 88 2.029 2.937 -11.054 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 0.551 4.122 -12.356 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 1.579 5.343 -11.776 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 1.760 4.762 -13.361 1.00 1.89 H new ATOM 834 N ILE A 89 4.041 1.419 -6.866 1.00 0.34 N ATOM 835 CA ILE A 89 3.325 0.684 -5.838 1.00 0.38 C ATOM 836 C ILE A 89 3.157 1.531 -4.579 1.00 0.30 C ATOM 837 O ILE A 89 2.093 1.518 -3.965 1.00 0.31 O ATOM 838 CB ILE A 89 4.028 -0.650 -5.505 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.049 -1.538 -6.751 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.326 -1.359 -4.352 1.00 0.55 C ATOM 841 CD1 ILE A 89 4.758 -2.863 -6.567 1.00 0.71 C ATOM 0 H ILE A 89 4.953 1.030 -7.105 1.00 0.34 H new ATOM 0 HA ILE A 89 2.335 0.451 -6.231 1.00 0.38 H new ATOM 0 HB ILE A 89 5.052 -0.444 -5.194 1.00 0.49 H new ATOM 0 HG12 ILE A 89 3.022 -1.730 -7.062 1.00 0.59 H new ATOM 0 HG13 ILE A 89 4.531 -0.992 -7.562 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.839 -2.296 -4.135 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.345 -0.722 -3.468 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.292 -1.566 -4.628 1.00 0.55 H new ATOM 0 HD11 ILE A 89 4.724 -3.426 -7.500 1.00 0.71 H new ATOM 0 HD12 ILE A 89 5.797 -2.684 -6.288 1.00 0.71 H new ATOM 0 HD13 ILE A 89 4.264 -3.434 -5.780 1.00 0.71 H new ATOM 853 N TRP A 90 4.195 2.281 -4.205 1.00 0.27 N ATOM 854 CA TRP A 90 4.088 3.195 -3.074 1.00 0.23 C ATOM 855 C TRP A 90 3.022 4.252 -3.354 1.00 0.26 C ATOM 856 O TRP A 90 2.185 4.542 -2.502 1.00 0.29 O ATOM 857 CB TRP A 90 5.429 3.879 -2.787 1.00 0.25 C ATOM 858 CG TRP A 90 5.383 4.783 -1.587 1.00 0.24 C ATOM 859 CD1 TRP A 90 4.956 6.079 -1.549 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.782 4.454 -0.251 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.055 6.571 -0.271 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.564 5.597 0.543 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.300 3.306 0.345 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.848 5.617 1.907 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.583 3.328 1.694 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.359 4.477 2.464 1.00 0.33 C ATOM 0 H TRP A 90 5.106 2.273 -4.663 1.00 0.27 H new ATOM 0 HA TRP A 90 3.803 2.614 -2.197 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.193 3.117 -2.632 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.729 4.458 -3.660 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.593 6.636 -2.400 1.00 0.29 H new ATOM 0 HE1 TRP A 90 4.791 7.511 0.024 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.477 2.415 -0.239 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.671 6.500 2.503 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.985 2.444 2.166 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.594 4.462 3.518 1.00 0.33 H new ATOM 877 N LYS A 91 3.060 4.803 -4.565 1.00 0.30 N ATOM 878 CA LYS A 91 2.122 5.836 -4.997 1.00 0.41 C ATOM 879 C LYS A 91 0.672 5.353 -4.906 1.00 0.41 C ATOM 880 O LYS A 91 -0.244 6.155 -4.724 1.00 0.47 O ATOM 881 CB LYS A 91 2.453 6.259 -6.437 1.00 0.58 C ATOM 882 CG LYS A 91 1.575 7.376 -6.986 1.00 0.90 C ATOM 883 CD LYS A 91 1.769 8.680 -6.222 1.00 1.49 C ATOM 884 CE LYS A 91 3.159 9.274 -6.437 1.00 2.16 C ATOM 885 NZ LYS A 91 3.416 9.601 -7.864 1.00 2.70 N ATOM 0 H LYS A 91 3.744 4.545 -5.276 1.00 0.30 H new ATOM 0 HA LYS A 91 2.225 6.692 -4.330 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.494 6.579 -6.478 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.361 5.389 -7.088 1.00 0.58 H new ATOM 0 HG2 LYS A 91 1.806 7.535 -8.039 1.00 0.90 H new ATOM 0 HG3 LYS A 91 0.529 7.075 -6.931 1.00 0.90 H new ATOM 0 HD2 LYS A 91 1.015 9.400 -6.539 1.00 1.49 H new ATOM 0 HD3 LYS A 91 1.612 8.502 -5.158 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.264 10.177 -5.835 1.00 2.16 H new ATOM 0 HE3 LYS A 91 3.912 8.568 -6.087 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 4.257 10.209 -7.935 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 3.578 8.723 -8.398 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 2.593 10.100 -8.259 1.00 2.70 H new ATOM 899 N LEU A 92 0.465 4.047 -5.038 1.00 0.40 N ATOM 900 CA LEU A 92 -0.876 3.477 -4.955 1.00 0.47 C ATOM 901 C LEU A 92 -1.200 3.041 -3.526 1.00 0.46 C ATOM 902 O LEU A 92 -2.334 3.172 -3.072 1.00 0.61 O ATOM 903 CB LEU A 92 -1.012 2.275 -5.900 1.00 0.54 C ATOM 904 CG LEU A 92 -0.674 2.550 -7.369 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.777 1.268 -8.181 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.593 3.622 -7.938 1.00 1.66 C ATOM 0 H LEU A 92 1.205 3.365 -5.202 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.582 4.251 -5.255 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.364 1.476 -5.539 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -2.036 1.905 -5.844 1.00 0.54 H new ATOM 0 HG LEU A 92 0.351 2.916 -7.428 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -0.535 1.477 -9.223 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -0.078 0.530 -7.787 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.792 0.877 -8.116 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.338 3.804 -8.982 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.628 3.287 -7.871 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.472 4.544 -7.369 1.00 1.66 H new ATOM 918 N ALA A 93 -0.196 2.532 -2.823 1.00 0.37 N ATOM 919 CA ALA A 93 -0.395 1.990 -1.485 1.00 0.42 C ATOM 920 C ALA A 93 -0.573 3.098 -0.458 1.00 0.38 C ATOM 921 O ALA A 93 -1.442 3.014 0.410 1.00 0.43 O ATOM 922 CB ALA A 93 0.772 1.093 -1.102 1.00 0.47 C ATOM 0 H ALA A 93 0.766 2.483 -3.158 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.309 1.397 -1.495 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.611 0.694 -0.100 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.847 0.270 -1.812 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.696 1.671 -1.118 1.00 0.47 H new ATOM 928 N ASP A 94 0.236 4.147 -0.564 1.00 0.33 N ATOM 929 CA ASP A 94 0.134 5.272 0.354 1.00 0.35 C ATOM 930 C ASP A 94 -0.900 6.260 -0.168 1.00 0.32 C ATOM 931 O ASP A 94 -0.567 7.313 -0.716 1.00 0.37 O ATOM 932 CB ASP A 94 1.496 5.952 0.550 1.00 0.37 C ATOM 933 CG ASP A 94 1.490 6.951 1.695 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.593 6.863 2.566 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.388 7.816 1.750 1.00 0.79 O ATOM 0 H ASP A 94 0.964 4.240 -1.272 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.187 4.904 1.329 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.254 5.192 0.740 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.780 6.462 -0.371 1.00 0.37 H new ATOM 940 N VAL A 95 -2.165 5.885 -0.006 1.00 0.35 N ATOM 941 CA VAL A 95 -3.290 6.639 -0.547 1.00 0.42 C ATOM 942 C VAL A 95 -3.378 8.025 0.079 1.00 0.50 C ATOM 943 O VAL A 95 -3.652 9.011 -0.605 1.00 0.61 O ATOM 944 CB VAL A 95 -4.626 5.894 -0.311 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.789 6.627 -0.964 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.545 4.465 -0.824 1.00 0.51 C ATOM 0 H VAL A 95 -2.439 5.047 0.506 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.119 6.741 -1.619 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.804 5.867 0.764 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.713 6.079 -0.781 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.871 7.629 -0.542 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.617 6.699 -2.038 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.495 3.961 -0.648 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.332 4.474 -1.893 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.750 3.935 -0.300 1.00 0.51 H new ATOM 956 N ASP A 96 -3.141 8.099 1.380 1.00 0.49 N ATOM 957 CA ASP A 96 -3.244 9.370 2.092 1.00 0.59 C ATOM 958 C ASP A 96 -1.960 10.185 1.989 1.00 0.53 C ATOM 959 O ASP A 96 -1.932 11.345 2.399 1.00 0.67 O ATOM 960 CB ASP A 96 -3.624 9.160 3.562 1.00 0.66 C ATOM 961 CG ASP A 96 -2.740 8.164 4.292 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.755 7.705 3.690 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.986 7.868 5.485 1.00 0.96 O ATOM 0 H ASP A 96 -2.878 7.304 1.962 1.00 0.49 H new ATOM 0 HA ASP A 96 -4.040 9.936 1.608 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.578 10.118 4.079 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.658 8.819 3.614 1.00 0.66 H new ATOM 968 N LYS A 97 -0.916 9.579 1.424 1.00 0.40 N ATOM 969 CA LYS A 97 0.371 10.250 1.215 1.00 0.43 C ATOM 970 C LYS A 97 0.932 10.808 2.523 1.00 0.37 C ATOM 971 O LYS A 97 0.880 12.014 2.765 1.00 0.54 O ATOM 972 CB LYS A 97 0.250 11.370 0.174 1.00 0.65 C ATOM 973 CG LYS A 97 -0.327 10.916 -1.160 1.00 0.87 C ATOM 974 CD LYS A 97 -0.298 12.034 -2.193 1.00 1.21 C ATOM 975 CE LYS A 97 -1.070 13.256 -1.726 1.00 2.08 C ATOM 976 NZ LYS A 97 -1.074 14.326 -2.757 1.00 2.96 N ATOM 0 H LYS A 97 -0.936 8.613 1.099 1.00 0.40 H new ATOM 0 HA LYS A 97 1.066 9.499 0.839 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.379 12.162 0.579 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.236 11.802 0.004 1.00 0.65 H new ATOM 0 HG2 LYS A 97 0.240 10.062 -1.531 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.354 10.578 -1.017 1.00 0.87 H new ATOM 0 HD2 LYS A 97 0.736 12.313 -2.397 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -0.721 11.673 -3.130 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -2.096 12.972 -1.492 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -0.627 13.638 -0.806 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -1.610 15.145 -2.405 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -0.096 14.614 -2.962 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -1.519 13.969 -3.626 1.00 2.96 H new ATOM 990 N ASP A 98 1.435 9.928 3.378 1.00 0.36 N ATOM 991 CA ASP A 98 1.946 10.353 4.675 1.00 0.37 C ATOM 992 C ASP A 98 3.351 9.811 4.915 1.00 0.36 C ATOM 993 O ASP A 98 3.899 9.937 6.013 1.00 0.41 O ATOM 994 CB ASP A 98 1.000 9.894 5.792 1.00 0.42 C ATOM 995 CG ASP A 98 0.982 8.386 5.987 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.407 7.664 5.138 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.526 7.913 7.001 1.00 0.43 O ATOM 0 H ASP A 98 1.500 8.926 3.200 1.00 0.36 H new ATOM 0 HA ASP A 98 1.999 11.442 4.680 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.296 10.370 6.727 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.010 10.236 5.566 1.00 0.42 H new ATOM 1002 N GLY A 99 3.941 9.231 3.875 1.00 0.35 N ATOM 1003 CA GLY A 99 5.309 8.744 3.964 1.00 0.41 C ATOM 1004 C GLY A 99 5.454 7.524 4.862 1.00 0.41 C ATOM 1005 O GLY A 99 6.555 7.000 5.035 1.00 0.44 O ATOM 0 H GLY A 99 3.496 9.088 2.968 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.665 8.496 2.964 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.948 9.542 4.341 1.00 0.41 H new ATOM 1009 N LEU A 100 4.347 7.086 5.440 1.00 0.46 N ATOM 1010 CA LEU A 100 4.319 5.903 6.283 1.00 0.48 C ATOM 1011 C LEU A 100 3.204 4.986 5.816 1.00 0.38 C ATOM 1012 O LEU A 100 2.106 5.442 5.500 1.00 0.40 O ATOM 1013 CB LEU A 100 4.083 6.285 7.750 1.00 0.61 C ATOM 1014 CG LEU A 100 5.170 7.138 8.403 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.701 7.642 9.756 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.453 6.341 8.555 1.00 0.88 C ATOM 0 H LEU A 100 3.441 7.542 5.337 1.00 0.46 H new ATOM 0 HA LEU A 100 5.281 5.395 6.208 1.00 0.48 H new ATOM 0 HB2 LEU A 100 3.137 6.823 7.817 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.970 5.369 8.330 1.00 0.61 H new ATOM 0 HG LEU A 100 5.370 7.995 7.760 1.00 0.60 H new ATOM 0 HD11 LEU A 100 5.485 8.248 10.210 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.803 8.247 9.628 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.478 6.794 10.403 1.00 1.11 H new ATOM 0 HD21 LEU A 100 7.216 6.965 9.022 1.00 0.88 H new ATOM 0 HD22 LEU A 100 6.267 5.467 9.179 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.799 6.018 7.573 1.00 0.88 H new ATOM 1028 N LEU A 101 3.475 3.703 5.762 1.00 0.35 N ATOM 1029 CA LEU A 101 2.457 2.758 5.354 1.00 0.31 C ATOM 1030 C LEU A 101 1.695 2.267 6.568 1.00 0.34 C ATOM 1031 O LEU A 101 2.293 1.742 7.509 1.00 0.42 O ATOM 1032 CB LEU A 101 3.067 1.575 4.597 1.00 0.33 C ATOM 1033 CG LEU A 101 3.672 1.914 3.232 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.214 0.660 2.565 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.641 2.587 2.336 1.00 0.30 C ATOM 0 H LEU A 101 4.379 3.291 5.992 1.00 0.35 H new ATOM 0 HA LEU A 101 1.770 3.267 4.678 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.843 1.128 5.219 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.295 0.818 4.456 1.00 0.33 H new ATOM 0 HG LEU A 101 4.496 2.610 3.388 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.640 0.919 1.596 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.986 0.218 3.195 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.405 -0.057 2.426 1.00 0.39 H new ATOM 0 HD21 LEU A 101 3.093 2.819 1.372 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.794 1.917 2.188 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.297 3.508 2.806 1.00 0.30 H new ATOM 1047 N ASP A 102 0.382 2.461 6.556 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.468 1.915 7.605 1.00 0.39 C ATOM 1049 C ASP A 102 -0.498 0.404 7.455 1.00 0.24 C ATOM 1050 O ASP A 102 0.026 -0.128 6.476 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.912 2.439 7.503 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.034 3.953 7.485 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -1.845 4.592 8.537 1.00 0.97 O ATOM 1054 OD2 ASP A 102 -2.335 4.506 6.412 1.00 1.72 O ATOM 0 H ASP A 102 -0.114 2.988 5.837 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.061 2.220 8.569 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.366 2.040 6.596 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.486 2.051 8.345 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.124 -0.281 8.397 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.327 -1.717 8.281 1.00 0.29 C ATOM 1061 C ASP A 103 -2.049 -2.043 6.971 1.00 0.25 C ATOM 1062 O ASP A 103 -1.674 -2.973 6.251 1.00 0.28 O ATOM 1063 CB ASP A 103 -2.126 -2.206 9.495 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.065 -3.364 9.185 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -2.589 -4.484 8.934 1.00 1.60 O ATOM 1066 OD2 ASP A 103 -4.300 -3.146 9.203 1.00 1.17 O ATOM 0 H ASP A 103 -1.500 0.133 9.250 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.365 -2.230 8.263 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.431 -2.513 10.276 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -2.708 -1.375 9.894 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.040 -1.228 6.636 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.802 -1.416 5.413 1.00 0.28 C ATOM 1073 C GLU A 104 -2.981 -1.039 4.181 1.00 0.23 C ATOM 1074 O GLU A 104 -3.022 -1.736 3.168 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.092 -0.597 5.458 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.964 -0.928 6.656 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.293 -0.196 6.636 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -7.336 0.970 7.071 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -8.294 -0.782 6.171 1.00 1.66 O ATOM 0 H GLU A 104 -3.334 -0.429 7.197 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.055 -2.474 5.338 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.842 0.464 5.480 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.659 -0.772 4.544 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.146 -2.002 6.681 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.428 -0.674 7.571 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.222 0.048 4.267 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.473 0.528 3.109 1.00 0.24 C ATOM 1088 C GLU A 105 -0.320 -0.418 2.771 1.00 0.18 C ATOM 1089 O GLU A 105 -0.052 -0.689 1.597 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.950 1.953 3.336 1.00 0.33 C ATOM 1091 CG GLU A 105 -2.047 2.947 3.686 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.659 4.400 3.452 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.612 4.826 3.979 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.356 5.118 2.694 1.00 0.44 O ATOM 0 H GLU A 105 -2.109 0.607 5.113 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.158 0.550 2.261 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.213 1.939 4.139 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.436 2.292 2.437 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.934 2.718 3.095 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.320 2.818 4.733 1.00 0.33 H new ATOM 1101 N PHE A 106 0.349 -0.936 3.794 1.00 0.18 N ATOM 1102 CA PHE A 106 1.411 -1.909 3.585 1.00 0.17 C ATOM 1103 C PHE A 106 0.829 -3.203 3.041 1.00 0.18 C ATOM 1104 O PHE A 106 1.435 -3.854 2.193 1.00 0.23 O ATOM 1105 CB PHE A 106 2.177 -2.189 4.878 1.00 0.18 C ATOM 1106 CG PHE A 106 3.227 -3.259 4.732 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.396 -3.019 4.025 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.043 -4.507 5.307 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.360 -4.003 3.900 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.003 -5.494 5.183 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.163 -5.242 4.477 1.00 0.42 C ATOM 0 H PHE A 106 0.175 -0.699 4.771 1.00 0.18 H new ATOM 0 HA PHE A 106 2.111 -1.490 2.862 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.652 -1.268 5.217 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.471 -2.487 5.653 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.555 -2.054 3.567 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.138 -4.711 5.859 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.268 -3.802 3.351 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.846 -6.461 5.638 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.914 -6.012 4.376 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.351 -3.567 3.533 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.049 -4.736 3.028 1.00 0.19 C ATOM 1123 C ALA A 107 -1.303 -4.598 1.530 1.00 0.18 C ATOM 1124 O ALA A 107 -1.102 -5.543 0.767 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.363 -4.935 3.771 1.00 0.21 C ATOM 0 H ALA A 107 -0.839 -3.069 4.278 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.421 -5.611 3.195 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -2.873 -5.815 3.380 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.163 -5.074 4.833 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -2.996 -4.058 3.633 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.738 -3.414 1.117 1.00 0.17 N ATOM 1132 CA LEU A 108 -1.996 -3.135 -0.288 1.00 0.19 C ATOM 1133 C LEU A 108 -0.714 -3.312 -1.103 1.00 0.20 C ATOM 1134 O LEU A 108 -0.711 -3.998 -2.129 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.560 -1.713 -0.439 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.259 -1.408 -1.770 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.158 -0.193 -1.629 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.251 -1.167 -2.881 1.00 1.14 C ATOM 0 H LEU A 108 -1.920 -2.628 1.741 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.736 -3.839 -0.669 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.268 -1.536 0.370 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -1.743 -1.003 -0.309 1.00 0.23 H new ATOM 0 HG LEU A 108 -3.862 -2.278 -2.032 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.647 0.011 -2.582 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -4.914 -0.386 -0.867 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -3.560 0.670 -1.336 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -2.778 -0.954 -3.811 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -1.618 -0.319 -2.620 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -1.633 -2.055 -3.010 1.00 1.14 H new ATOM 1150 N ALA A 109 0.375 -2.720 -0.617 1.00 0.23 N ATOM 1151 CA ALA A 109 1.674 -2.820 -1.278 1.00 0.28 C ATOM 1152 C ALA A 109 2.109 -4.278 -1.409 1.00 0.29 C ATOM 1153 O ALA A 109 2.483 -4.736 -2.490 1.00 0.32 O ATOM 1154 CB ALA A 109 2.719 -2.027 -0.505 1.00 0.32 C ATOM 0 H ALA A 109 0.383 -2.163 0.237 1.00 0.23 H new ATOM 0 HA ALA A 109 1.580 -2.401 -2.280 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.683 -2.109 -1.007 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.421 -0.979 -0.460 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.802 -2.424 0.507 1.00 0.32 H new ATOM 1160 N ASN A 110 2.034 -5.009 -0.300 1.00 0.30 N ATOM 1161 CA ASN A 110 2.412 -6.419 -0.280 1.00 0.33 C ATOM 1162 C ASN A 110 1.507 -7.243 -1.179 1.00 0.33 C ATOM 1163 O ASN A 110 1.940 -8.238 -1.755 1.00 0.39 O ATOM 1164 CB ASN A 110 2.370 -6.984 1.143 1.00 0.36 C ATOM 1165 CG ASN A 110 3.750 -7.121 1.761 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.662 -6.237 1.389 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 3.991 -8.016 2.572 1.00 0.71 N flip ATOM 0 H ASN A 110 1.714 -4.647 0.598 1.00 0.30 H new ATOM 0 HA ASN A 110 3.434 -6.482 -0.654 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.759 -6.334 1.769 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.885 -7.960 1.128 1.00 0.36 H new ATOM 0 HD21 ASN A 110 3.260 -8.678 2.833 1.00 0.71 H new ATOM 0 HD22 ASN A 110 4.921 -8.095 2.983 1.00 0.71 H new ATOM 1174 N HIS A 111 0.250 -6.827 -1.305 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.690 -7.540 -2.153 1.00 0.30 C ATOM 1176 C HIS A 111 -0.275 -7.412 -3.609 1.00 0.33 C ATOM 1177 O HIS A 111 -0.341 -8.379 -4.358 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.123 -7.028 -1.966 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.161 -8.022 -2.397 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.361 -9.226 -1.755 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.049 -7.994 -3.420 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.323 -9.893 -2.363 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.757 -9.170 -3.377 1.00 0.45 N ATOM 0 H HIS A 111 -0.135 -6.008 -0.835 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.673 -8.590 -1.861 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.280 -6.779 -0.917 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.251 -6.107 -2.535 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.176 -7.196 -4.136 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -4.693 -10.867 -2.078 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.498 -9.440 -4.024 1.00 0.45 H new ATOM 1192 N LEU A 112 0.172 -6.221 -4.000 1.00 0.27 N ATOM 1193 CA LEU A 112 0.649 -5.998 -5.365 1.00 0.32 C ATOM 1194 C LEU A 112 1.906 -6.817 -5.630 1.00 0.36 C ATOM 1195 O LEU A 112 2.069 -7.384 -6.712 1.00 0.40 O ATOM 1196 CB LEU A 112 0.918 -4.513 -5.616 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.314 -3.609 -5.519 1.00 0.43 C ATOM 1198 CD1 LEU A 112 0.077 -2.157 -5.717 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.366 -4.016 -6.540 1.00 0.52 C ATOM 0 H LEU A 112 0.214 -5.400 -3.397 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.132 -6.323 -6.053 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.662 -4.167 -4.898 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.356 -4.401 -6.608 1.00 0.36 H new ATOM 0 HG LEU A 112 -0.741 -3.724 -4.523 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -0.810 -1.528 -5.645 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.792 -1.865 -4.948 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.531 -2.033 -6.700 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.232 -3.360 -6.452 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -0.949 -3.934 -7.544 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.672 -5.046 -6.357 1.00 0.52 H new ATOM 1211 N ILE A 113 2.783 -6.889 -4.630 1.00 0.39 N ATOM 1212 CA ILE A 113 3.981 -7.722 -4.719 1.00 0.49 C ATOM 1213 C ILE A 113 3.592 -9.185 -4.920 1.00 0.54 C ATOM 1214 O ILE A 113 4.050 -9.843 -5.857 1.00 0.60 O ATOM 1215 CB ILE A 113 4.855 -7.615 -3.443 1.00 0.55 C ATOM 1216 CG1 ILE A 113 5.314 -6.173 -3.218 1.00 0.57 C ATOM 1217 CG2 ILE A 113 6.055 -8.549 -3.536 1.00 0.73 C ATOM 1218 CD1 ILE A 113 6.182 -5.996 -1.989 1.00 0.84 C ATOM 0 H ILE A 113 2.687 -6.382 -3.750 1.00 0.39 H new ATOM 0 HA ILE A 113 4.558 -7.361 -5.570 1.00 0.49 H new ATOM 0 HB ILE A 113 4.248 -7.917 -2.589 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.867 -5.836 -4.095 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.437 -5.532 -3.128 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.656 -8.460 -2.631 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.709 -9.577 -3.642 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.660 -8.279 -4.402 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.469 -4.949 -1.894 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.625 -6.301 -1.103 1.00 0.84 H new ATOM 0 HD13 ILE A 113 7.077 -6.610 -2.084 1.00 0.84 H new ATOM 1230 N LYS A 114 2.721 -9.671 -4.042 1.00 0.56 N ATOM 1231 CA LYS A 114 2.330 -11.074 -4.024 1.00 0.70 C ATOM 1232 C LYS A 114 1.581 -11.451 -5.298 1.00 0.66 C ATOM 1233 O LYS A 114 1.791 -12.526 -5.844 1.00 0.68 O ATOM 1234 CB LYS A 114 1.469 -11.358 -2.784 1.00 0.86 C ATOM 1235 CG LYS A 114 1.469 -12.818 -2.339 1.00 1.54 C ATOM 1236 CD LYS A 114 0.365 -13.635 -2.999 1.00 2.03 C ATOM 1237 CE LYS A 114 -1.017 -13.198 -2.530 1.00 2.96 C ATOM 1238 NZ LYS A 114 -2.077 -14.155 -2.951 1.00 3.83 N ATOM 0 H LYS A 114 2.268 -9.104 -3.325 1.00 0.56 H new ATOM 0 HA LYS A 114 3.231 -11.685 -3.977 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.825 -10.739 -1.960 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.443 -11.054 -2.991 1.00 0.86 H new ATOM 0 HG2 LYS A 114 2.435 -13.265 -2.573 1.00 1.54 H new ATOM 0 HG3 LYS A 114 1.351 -12.863 -1.256 1.00 1.54 H new ATOM 0 HD2 LYS A 114 0.432 -13.529 -4.082 1.00 2.03 H new ATOM 0 HD3 LYS A 114 0.509 -14.691 -2.772 1.00 2.03 H new ATOM 0 HE2 LYS A 114 -1.020 -13.109 -1.444 1.00 2.96 H new ATOM 0 HE3 LYS A 114 -1.240 -12.210 -2.932 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 -2.988 -13.866 -2.541 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 -2.150 -14.158 -3.988 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 -1.835 -15.110 -2.618 1.00 3.83 H new ATOM 1252 N VAL A 115 0.724 -10.551 -5.775 1.00 0.64 N ATOM 1253 CA VAL A 115 -0.085 -10.811 -6.965 1.00 0.70 C ATOM 1254 C VAL A 115 0.773 -10.846 -8.232 1.00 0.71 C ATOM 1255 O VAL A 115 0.620 -11.744 -9.064 1.00 0.82 O ATOM 1256 CB VAL A 115 -1.224 -9.769 -7.110 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -1.894 -9.864 -8.473 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -2.259 -9.963 -6.010 1.00 1.07 C ATOM 0 H VAL A 115 0.571 -9.634 -5.356 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.536 -11.795 -6.837 1.00 0.70 H new ATOM 0 HB VAL A 115 -0.781 -8.777 -7.018 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -2.688 -9.120 -8.541 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -1.157 -9.681 -9.254 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -2.318 -10.860 -8.601 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -3.053 -9.225 -6.123 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.682 -10.965 -6.081 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.784 -9.838 -5.037 1.00 1.07 H new ATOM 1268 N LYS A 116 1.680 -9.883 -8.375 1.00 0.65 N ATOM 1269 CA LYS A 116 2.594 -9.854 -9.505 1.00 0.73 C ATOM 1270 C LYS A 116 3.464 -11.111 -9.528 1.00 0.76 C ATOM 1271 O LYS A 116 3.627 -11.751 -10.569 1.00 0.90 O ATOM 1272 CB LYS A 116 3.469 -8.606 -9.418 1.00 0.72 C ATOM 1273 CG LYS A 116 4.405 -8.406 -10.596 1.00 0.95 C ATOM 1274 CD LYS A 116 3.648 -8.266 -11.908 1.00 0.93 C ATOM 1275 CE LYS A 116 4.413 -7.384 -12.877 1.00 1.06 C ATOM 1276 NZ LYS A 116 3.792 -7.323 -14.230 1.00 1.32 N ATOM 0 H LYS A 116 1.799 -9.112 -7.718 1.00 0.65 H new ATOM 0 HA LYS A 116 2.015 -9.826 -10.428 1.00 0.73 H new ATOM 0 HB2 LYS A 116 2.824 -7.732 -9.331 1.00 0.72 H new ATOM 0 HB3 LYS A 116 4.062 -8.657 -8.505 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.011 -7.515 -10.430 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.091 -9.251 -10.662 1.00 0.95 H new ATOM 0 HD2 LYS A 116 3.491 -9.250 -12.350 1.00 0.93 H new ATOM 0 HD3 LYS A 116 2.662 -7.840 -11.721 1.00 0.93 H new ATOM 0 HE2 LYS A 116 4.477 -6.376 -12.468 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.433 -7.756 -12.969 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 4.311 -6.641 -14.820 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 3.831 -8.263 -14.673 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 2.800 -7.022 -14.144 1.00 1.32 H new ATOM 1290 N LEU A 117 4.001 -11.475 -8.372 1.00 0.67 N ATOM 1291 CA LEU A 117 4.861 -12.650 -8.269 1.00 0.74 C ATOM 1292 C LEU A 117 4.048 -13.936 -8.342 1.00 0.78 C ATOM 1293 O LEU A 117 4.594 -15.017 -8.567 1.00 0.85 O ATOM 1294 CB LEU A 117 5.666 -12.617 -6.977 1.00 0.74 C ATOM 1295 CG LEU A 117 6.618 -11.429 -6.842 1.00 0.79 C ATOM 1296 CD1 LEU A 117 7.330 -11.489 -5.505 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.626 -11.407 -7.987 1.00 0.96 C ATOM 0 H LEU A 117 3.858 -10.977 -7.494 1.00 0.67 H new ATOM 0 HA LEU A 117 5.549 -12.630 -9.114 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.974 -12.607 -6.135 1.00 0.74 H new ATOM 0 HB3 LEU A 117 6.245 -13.538 -6.903 1.00 0.74 H new ATOM 0 HG LEU A 117 6.036 -10.509 -6.891 1.00 0.79 H new ATOM 0 HD11 LEU A 117 8.007 -10.640 -5.415 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.596 -11.455 -4.700 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.900 -12.416 -5.437 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.292 -10.553 -7.869 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.210 -12.327 -7.975 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.097 -11.326 -8.936 1.00 0.96 H new ATOM 1309 N GLU A 118 2.744 -13.808 -8.150 1.00 0.78 N ATOM 1310 CA GLU A 118 1.826 -14.933 -8.269 1.00 0.90 C ATOM 1311 C GLU A 118 1.519 -15.192 -9.742 1.00 1.00 C ATOM 1312 O GLU A 118 0.735 -16.073 -10.084 1.00 1.17 O ATOM 1313 CB GLU A 118 0.536 -14.631 -7.503 1.00 0.95 C ATOM 1314 CG GLU A 118 -0.292 -15.860 -7.158 1.00 1.31 C ATOM 1315 CD GLU A 118 -1.636 -15.509 -6.547 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -1.662 -15.007 -5.402 1.00 1.90 O ATOM 1317 OE2 GLU A 118 -2.665 -15.733 -7.216 1.00 2.18 O ATOM 0 H GLU A 118 2.293 -12.926 -7.908 1.00 0.78 H new ATOM 0 HA GLU A 118 2.287 -15.824 -7.843 1.00 0.90 H new ATOM 0 HB2 GLU A 118 0.789 -14.108 -6.581 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -0.075 -13.952 -8.098 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.451 -16.451 -8.060 1.00 1.31 H new ATOM 0 HG3 GLU A 118 0.267 -16.485 -6.462 1.00 1.31 H new ATOM 1324 N GLY A 119 2.131 -14.394 -10.610 1.00 0.95 N ATOM 1325 CA GLY A 119 1.999 -14.603 -12.040 1.00 1.06 C ATOM 1326 C GLY A 119 0.856 -13.818 -12.645 1.00 1.06 C ATOM 1327 O GLY A 119 0.430 -14.098 -13.767 1.00 1.16 O ATOM 0 H GLY A 119 2.719 -13.603 -10.347 1.00 0.95 H new ATOM 0 HA2 GLY A 119 2.929 -14.318 -12.531 1.00 1.06 H new ATOM 0 HA3 GLY A 119 1.848 -15.665 -12.235 1.00 1.06 H new ATOM 1331 N HIS A 120 0.357 -12.836 -11.909 1.00 0.96 N ATOM 1332 CA HIS A 120 -0.745 -12.013 -12.394 1.00 0.97 C ATOM 1333 C HIS A 120 -0.234 -10.635 -12.789 1.00 0.94 C ATOM 1334 O HIS A 120 0.831 -10.211 -12.342 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.833 -11.857 -11.330 1.00 0.94 C ATOM 1336 CG HIS A 120 -2.386 -13.145 -10.804 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -3.553 -13.712 -11.257 1.00 1.80 N ATOM 1338 CD2 HIS A 120 -1.944 -13.948 -9.814 1.00 1.83 C ATOM 1339 CE1 HIS A 120 -3.801 -14.812 -10.569 1.00 2.36 C ATOM 1340 NE2 HIS A 120 -2.838 -14.977 -9.686 1.00 2.42 N ATOM 0 H HIS A 120 0.694 -12.589 -10.979 1.00 0.96 H new ATOM 0 HA HIS A 120 -1.174 -12.513 -13.262 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -1.427 -11.285 -10.496 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -2.651 -11.271 -11.750 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -1.048 -13.805 -9.229 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -4.650 -15.465 -10.707 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -2.770 -15.744 -9.017 1.00 2.42 H new ATOM 1349 N GLU A 121 -1.005 -9.933 -13.602 1.00 1.03 N ATOM 1350 CA GLU A 121 -0.630 -8.598 -14.036 1.00 1.05 C ATOM 1351 C GLU A 121 -1.308 -7.546 -13.164 1.00 0.98 C ATOM 1352 O GLU A 121 -2.411 -7.762 -12.646 1.00 1.14 O ATOM 1353 CB GLU A 121 -1.003 -8.392 -15.507 1.00 1.25 C ATOM 1354 CG GLU A 121 -0.602 -7.029 -16.050 1.00 1.61 C ATOM 1355 CD GLU A 121 0.891 -6.784 -15.962 1.00 1.79 C ATOM 1356 OE1 GLU A 121 1.385 -6.511 -14.847 1.00 2.53 O ATOM 1357 OE2 GLU A 121 1.577 -6.861 -17.005 1.00 1.77 O ATOM 0 H GLU A 121 -1.894 -10.265 -13.975 1.00 1.03 H new ATOM 0 HA GLU A 121 0.450 -8.490 -13.933 1.00 1.05 H new ATOM 0 HB2 GLU A 121 -0.526 -9.168 -16.106 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -2.080 -8.517 -15.621 1.00 1.25 H new ATOM 0 HG2 GLU A 121 -0.919 -6.948 -17.090 1.00 1.61 H new ATOM 0 HG3 GLU A 121 -1.128 -6.252 -15.495 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.641 -6.418 -12.996 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.185 -5.309 -12.242 1.00 0.87 C ATOM 1366 C LEU A 122 -1.430 -4.123 -13.172 1.00 0.93 C ATOM 1367 O LEU A 122 -0.674 -3.896 -14.113 1.00 1.02 O ATOM 1368 CB LEU A 122 -0.260 -4.942 -11.066 1.00 0.89 C ATOM 1369 CG LEU A 122 1.244 -4.855 -11.375 1.00 1.05 C ATOM 1370 CD1 LEU A 122 1.600 -3.531 -12.036 1.00 1.33 C ATOM 1371 CD2 LEU A 122 2.051 -5.045 -10.102 1.00 1.16 C ATOM 0 H LEU A 122 0.289 -6.248 -13.378 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.143 -5.601 -11.811 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -0.582 -3.980 -10.666 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -0.404 -5.680 -10.276 1.00 0.89 H new ATOM 0 HG LEU A 122 1.491 -5.653 -12.076 1.00 1.05 H new ATOM 0 HD11 LEU A 122 2.670 -3.503 -12.241 1.00 1.33 H new ATOM 0 HD12 LEU A 122 1.049 -3.431 -12.971 1.00 1.33 H new ATOM 0 HD13 LEU A 122 1.336 -2.709 -11.370 1.00 1.33 H new ATOM 0 HD21 LEU A 122 3.114 -4.982 -10.332 1.00 1.16 H new ATOM 0 HD22 LEU A 122 1.788 -4.267 -9.385 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.830 -6.023 -9.674 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.507 -3.363 -12.938 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.883 -2.248 -13.811 1.00 1.06 C ATOM 1385 C PRO A 123 -1.979 -1.029 -13.646 1.00 1.07 C ATOM 1386 O PRO A 123 -2.027 -0.098 -14.450 1.00 1.18 O ATOM 1387 CB PRO A 123 -4.305 -1.917 -13.355 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.349 -2.337 -11.926 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.458 -3.542 -11.822 1.00 1.02 C ATOM 0 HA PRO A 123 -2.798 -2.515 -14.864 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.518 -0.853 -13.462 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -5.046 -2.452 -13.948 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -4.001 -1.537 -11.273 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -5.368 -2.577 -11.621 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -2.946 -3.581 -10.860 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -4.023 -4.469 -11.920 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.163 -1.049 -12.590 1.00 1.00 N ATOM 1398 CA ALA A 124 -0.307 0.082 -12.222 1.00 1.07 C ATOM 1399 C ALA A 124 -1.161 1.302 -11.866 1.00 1.11 C ATOM 1400 O ALA A 124 -0.676 2.432 -11.819 1.00 1.25 O ATOM 1401 CB ALA A 124 0.681 0.409 -13.340 1.00 1.23 C ATOM 0 H ALA A 124 -1.077 -1.850 -11.965 1.00 1.00 H new ATOM 0 HA ALA A 124 0.273 -0.198 -11.343 1.00 1.07 H new ATOM 0 HB1 ALA A 124 1.304 1.252 -13.040 1.00 1.23 H new ATOM 0 HB2 ALA A 124 1.313 -0.458 -13.533 1.00 1.23 H new ATOM 0 HB3 ALA A 124 0.133 0.667 -14.246 1.00 1.23 H new ATOM 1407 N ASP A 125 -2.429 1.037 -11.587 1.00 1.06 N ATOM 1408 CA ASP A 125 -3.378 2.047 -11.140 1.00 1.15 C ATOM 1409 C ASP A 125 -4.153 1.494 -9.958 1.00 1.07 C ATOM 1410 O ASP A 125 -3.967 0.334 -9.585 1.00 1.04 O ATOM 1411 CB ASP A 125 -4.347 2.450 -12.262 1.00 1.24 C ATOM 1412 CG ASP A 125 -3.731 3.401 -13.271 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -3.807 4.627 -13.064 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -3.178 2.927 -14.286 1.00 2.73 O ATOM 0 H ASP A 125 -2.833 0.104 -11.666 1.00 1.06 H new ATOM 0 HA ASP A 125 -2.827 2.942 -10.849 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -4.687 1.553 -12.779 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -5.228 2.918 -11.822 1.00 1.24 H new ATOM 1419 N LEU A 126 -5.011 2.307 -9.366 1.00 1.07 N ATOM 1420 CA LEU A 126 -5.765 1.873 -8.200 1.00 1.02 C ATOM 1421 C LEU A 126 -7.258 1.772 -8.532 1.00 1.10 C ATOM 1422 O LEU A 126 -7.960 2.784 -8.592 1.00 1.20 O ATOM 1423 CB LEU A 126 -5.522 2.842 -7.038 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.733 2.268 -5.632 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.115 3.187 -4.593 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -7.207 2.073 -5.339 1.00 1.66 C ATOM 0 H LEU A 126 -5.203 3.262 -9.669 1.00 1.07 H new ATOM 0 HA LEU A 126 -5.424 0.881 -7.902 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -4.500 3.214 -7.108 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -6.182 3.700 -7.162 1.00 1.00 H new ATOM 0 HG LEU A 126 -5.244 1.295 -5.587 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -5.271 2.769 -3.599 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -4.046 3.283 -4.782 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -5.584 4.169 -4.651 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -7.328 1.665 -4.336 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -7.721 3.032 -5.405 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -7.634 1.382 -6.066 1.00 1.66 H new ATOM 1438 N PRO A 127 -7.744 0.541 -8.785 1.00 1.08 N ATOM 1439 CA PRO A 127 -9.166 0.269 -9.048 1.00 1.16 C ATOM 1440 C PRO A 127 -10.073 0.699 -7.890 1.00 1.08 C ATOM 1441 O PRO A 127 -9.665 0.682 -6.731 1.00 0.96 O ATOM 1442 CB PRO A 127 -9.219 -1.259 -9.216 1.00 1.17 C ATOM 1443 CG PRO A 127 -7.950 -1.762 -8.614 1.00 1.11 C ATOM 1444 CD PRO A 127 -6.936 -0.687 -8.854 1.00 1.03 C ATOM 0 HA PRO A 127 -9.523 0.824 -9.915 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -10.088 -1.681 -8.712 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -9.294 -1.537 -10.267 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -8.072 -1.955 -7.548 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -7.643 -2.701 -9.075 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -6.149 -0.697 -8.100 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -6.450 -0.798 -9.823 1.00 1.03 H new ATOM 1452 N PRO A 128 -11.333 1.062 -8.196 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.287 1.586 -7.205 1.00 1.21 C ATOM 1454 C PRO A 128 -12.544 0.624 -6.045 1.00 1.10 C ATOM 1455 O PRO A 128 -12.834 1.051 -4.931 1.00 1.18 O ATOM 1456 CB PRO A 128 -13.576 1.806 -8.014 1.00 1.37 C ATOM 1457 CG PRO A 128 -13.402 1.010 -9.263 1.00 1.54 C ATOM 1458 CD PRO A 128 -11.927 0.997 -9.541 1.00 1.37 C ATOM 0 HA PRO A 128 -11.903 2.490 -6.732 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.451 1.474 -7.456 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -13.723 2.862 -8.239 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -13.785 -0.003 -9.137 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -13.952 1.458 -10.091 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -11.625 0.094 -10.072 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -11.625 1.845 -10.156 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.417 -0.675 -6.294 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.676 -1.668 -5.250 1.00 0.97 C ATOM 1468 C HIS A 129 -11.402 -2.009 -4.484 1.00 0.84 C ATOM 1469 O HIS A 129 -11.396 -2.900 -3.639 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.289 -2.950 -5.839 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.394 -3.697 -6.788 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -11.184 -4.285 -6.605 1.00 1.07 N flip ATOM 1473 CD2 HIS A 129 -12.729 -3.926 -8.103 1.00 0.84 C flip ATOM 1474 CE1 HIS A 129 -10.825 -4.850 -7.800 1.00 1.02 C flip ATOM 1475 NE2 HIS A 129 -11.771 -4.620 -8.687 1.00 0.89 N flip ATOM 0 H HIS A 129 -12.140 -1.064 -7.195 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.392 -1.226 -4.557 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.562 -3.615 -5.020 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.211 -2.690 -6.359 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -13.636 -3.590 -8.583 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -9.912 -5.397 -7.985 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -11.764 -4.926 -9.660 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.322 -1.311 -4.794 1.00 0.79 N ATOM 1485 CA LEU A 130 -9.045 -1.587 -4.179 1.00 0.70 C ATOM 1486 C LEU A 130 -8.719 -0.520 -3.136 1.00 0.65 C ATOM 1487 O LEU A 130 -7.707 -0.599 -2.437 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.968 -1.650 -5.259 1.00 0.73 C ATOM 1489 CG LEU A 130 -6.588 -2.066 -4.776 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.602 -3.498 -4.269 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -5.557 -1.906 -5.879 1.00 1.29 C ATOM 0 H LEU A 130 -10.310 -0.548 -5.471 1.00 0.79 H new ATOM 0 HA LEU A 130 -9.084 -2.549 -3.668 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.291 -2.349 -6.031 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -7.890 -0.670 -5.729 1.00 0.73 H new ATOM 0 HG LEU A 130 -6.311 -1.411 -3.950 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -5.604 -3.773 -3.929 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -7.304 -3.584 -3.440 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -6.908 -4.166 -5.074 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -4.578 -2.210 -5.509 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -5.833 -2.530 -6.729 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -5.518 -0.863 -6.192 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.600 0.469 -3.026 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.452 1.533 -2.038 1.00 0.71 C ATOM 1505 C VAL A 131 -9.758 0.995 -0.647 1.00 0.69 C ATOM 1506 O VAL A 131 -10.814 0.394 -0.430 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.401 2.719 -2.337 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -10.130 3.883 -1.392 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -10.271 3.166 -3.787 1.00 1.28 C ATOM 0 H VAL A 131 -10.430 0.556 -3.613 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.423 1.889 -2.087 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.424 2.379 -2.175 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.809 4.704 -1.622 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.286 3.560 -0.363 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.100 4.219 -1.514 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -10.948 4.000 -3.973 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -9.245 3.481 -3.980 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.527 2.338 -4.447 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.824 1.177 0.301 1.00 0.62 N ATOM 1520 CA PRO A 132 -9.013 0.776 1.696 1.00 0.65 C ATOM 1521 C PRO A 132 -10.361 1.239 2.241 1.00 0.77 C ATOM 1522 O PRO A 132 -10.764 2.388 2.027 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.864 1.472 2.444 1.00 0.64 C ATOM 1524 CG PRO A 132 -7.196 2.358 1.440 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.506 1.784 0.090 1.00 0.57 C ATOM 0 HA PRO A 132 -9.006 -0.308 1.811 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -8.241 2.052 3.286 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.163 0.742 2.848 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -7.564 3.381 1.520 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.120 2.392 1.609 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.532 2.553 -0.682 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.764 1.047 -0.218 1.00 0.57 H new ATOM 1533 N PRO A 133 -11.066 0.357 2.969 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.424 0.621 3.457 1.00 1.03 C ATOM 1535 C PRO A 133 -12.489 1.830 4.391 1.00 1.04 C ATOM 1536 O PRO A 133 -13.564 2.368 4.652 1.00 1.13 O ATOM 1537 CB PRO A 133 -12.803 -0.665 4.206 1.00 1.17 C ATOM 1538 CG PRO A 133 -11.509 -1.336 4.509 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.587 -0.974 3.380 1.00 0.93 C ATOM 0 HA PRO A 133 -13.103 0.863 2.640 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -13.354 -0.441 5.120 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.443 -1.302 3.596 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.108 -0.999 5.465 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -11.636 -2.416 4.580 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -9.546 -0.946 3.703 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -10.648 -1.694 2.564 1.00 0.93 H new ATOM 1547 N SER A 134 -11.333 2.258 4.873 1.00 1.02 N ATOM 1548 CA SER A 134 -11.244 3.389 5.781 1.00 1.09 C ATOM 1549 C SER A 134 -11.064 4.704 5.018 1.00 1.09 C ATOM 1550 O SER A 134 -11.376 5.780 5.532 1.00 1.22 O ATOM 1551 CB SER A 134 -10.070 3.164 6.731 1.00 1.14 C ATOM 1552 OG SER A 134 -8.899 2.823 6.004 1.00 1.60 O ATOM 0 H SER A 134 -10.434 1.833 4.647 1.00 1.02 H new ATOM 0 HA SER A 134 -12.173 3.464 6.345 1.00 1.09 H new ATOM 0 HB2 SER A 134 -9.891 4.065 7.317 1.00 1.14 H new ATOM 0 HB3 SER A 134 -10.312 2.368 7.435 1.00 1.14 H new ATOM 0 HG SER A 134 -8.345 2.218 6.541 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.582 4.617 3.785 1.00 0.99 N ATOM 1559 CA LYS A 135 -10.214 5.811 3.032 1.00 1.02 C ATOM 1560 C LYS A 135 -11.030 5.938 1.748 1.00 1.11 C ATOM 1561 O LYS A 135 -10.614 6.606 0.800 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.719 5.778 2.703 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.848 5.455 3.909 1.00 0.90 C ATOM 1564 CD LYS A 135 -6.362 5.557 3.597 1.00 0.67 C ATOM 1565 CE LYS A 135 -5.533 5.000 4.748 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.140 5.512 4.757 1.00 1.15 N ATOM 0 H LYS A 135 -10.437 3.739 3.287 1.00 0.99 H new ATOM 0 HA LYS A 135 -10.432 6.681 3.652 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.541 5.036 1.925 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -8.421 6.744 2.296 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -8.093 6.137 4.723 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -8.075 4.447 4.258 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -6.139 5.008 2.682 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -6.093 6.598 3.418 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -6.014 5.254 5.692 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -5.515 3.912 4.683 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -3.543 4.884 5.333 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -3.774 5.541 3.784 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -4.125 6.470 5.161 1.00 1.15 H new ATOM 1760 N GLY B 149 8.501 10.199 -1.330 1.00 0.48 N ATOM 1761 CA GLY B 149 8.560 8.760 -1.211 1.00 0.35 C ATOM 1762 C GLY B 149 9.983 8.268 -1.074 1.00 0.33 C ATOM 1763 O GLY B 149 10.918 8.955 -1.486 1.00 0.39 O ATOM 0 HA2 GLY B 149 7.980 8.442 -0.344 1.00 0.35 H new ATOM 0 HA3 GLY B 149 8.100 8.303 -2.087 1.00 0.35 H new ATOM 1767 N PRO B 150 10.176 7.068 -0.511 1.00 0.28 N ATOM 1768 CA PRO B 150 11.504 6.489 -0.293 1.00 0.29 C ATOM 1769 C PRO B 150 12.077 5.839 -1.557 1.00 0.30 C ATOM 1770 O PRO B 150 13.191 5.307 -1.551 1.00 0.33 O ATOM 1771 CB PRO B 150 11.234 5.449 0.797 1.00 0.29 C ATOM 1772 CG PRO B 150 9.846 4.984 0.527 1.00 0.26 C ATOM 1773 CD PRO B 150 9.104 6.178 -0.019 1.00 0.26 C ATOM 0 HA PRO B 150 12.250 7.235 -0.018 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.946 4.625 0.746 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.321 5.884 1.792 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.843 4.162 -0.189 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.374 4.615 1.438 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.422 5.893 -0.820 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.505 6.663 0.752 1.00 0.26 H new ATOM 1781 N PHE B 151 11.295 5.865 -2.631 1.00 0.31 N ATOM 1782 CA PHE B 151 11.700 5.253 -3.891 1.00 0.36 C ATOM 1783 C PHE B 151 12.059 6.308 -4.929 1.00 0.51 C ATOM 1784 O PHE B 151 13.177 6.333 -5.441 1.00 0.75 O ATOM 1785 CB PHE B 151 10.587 4.348 -4.430 1.00 0.34 C ATOM 1786 CG PHE B 151 10.181 3.275 -3.466 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.115 2.376 -2.979 1.00 0.32 C ATOM 1788 CD2 PHE B 151 8.870 3.178 -3.027 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.751 1.396 -2.081 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.501 2.204 -2.128 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.441 1.312 -1.653 1.00 0.41 C ATOM 0 H PHE B 151 10.375 6.305 -2.654 1.00 0.31 H new ATOM 0 HA PHE B 151 12.587 4.650 -3.696 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.717 4.958 -4.672 1.00 0.34 H new ATOM 0 HB3 PHE B 151 10.921 3.886 -5.359 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.142 2.444 -3.307 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.130 3.874 -3.394 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.487 0.697 -1.714 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.476 2.137 -1.794 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.152 0.548 -0.946 1.00 0.41 H new