USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 -95:sc= 0.714 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.629 K(o=1.3,f=-3.5!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.0154 USER MOD Set 2.2: A 71 ASN : amide:sc= -3.82! C(o=-3.8!,f=-8!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= -0.0027 (180deg=-0.0908) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.9 (180deg=1.9) USER MOD Single : A 52 THR OG1 : rot 171:sc= 1.01 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -10:sc= 1.12 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00402 K(o=-0.004,f=-0.88) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 2.48 (180deg=1.56) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0378) USER MOD Single : A 76 MET CE :methyl -112:sc= -0.0889 (180deg=-1.63) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -49:sc= -0.362 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.223 F(o=-1.2,f=-0.22) USER MOD Single : A 114 LYS NZ :NH3+ 151:sc= 0.833 (180deg=0.273) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0.136! (180deg=0.136!) USER MOD Single : A 120 HIS :FLIP no HD1:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : B 152 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -11.942 -5.550 -5.658 1.00 0.96 N ATOM 117 CA TRP A 44 -10.649 -5.227 -5.084 1.00 0.76 C ATOM 118 C TRP A 44 -9.650 -6.304 -5.485 1.00 0.61 C ATOM 119 O TRP A 44 -9.567 -7.358 -4.852 1.00 0.62 O ATOM 120 CB TRP A 44 -10.749 -5.106 -3.559 1.00 0.89 C ATOM 121 CG TRP A 44 -9.614 -4.340 -2.941 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.252 -3.057 -3.223 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.711 -4.798 -1.930 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.173 -2.692 -2.459 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.823 -3.738 -1.653 1.00 0.53 C ATOM 126 CE3 TRP A 44 -8.564 -5.998 -1.228 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.807 -3.847 -0.707 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -7.554 -6.105 -0.291 1.00 0.77 C ATOM 129 CH2 TRP A 44 -6.687 -5.033 -0.036 1.00 0.69 C ATOM 0 HA TRP A 44 -10.309 -4.264 -5.464 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.689 -4.617 -3.303 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.781 -6.105 -3.125 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.743 -2.420 -3.944 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.707 -1.785 -2.488 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -9.229 -6.828 -1.415 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -6.137 -3.023 -0.510 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -7.430 -7.029 0.254 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -5.909 -5.146 0.705 1.00 0.69 H new ATOM 140 N VAL A 45 -8.907 -6.033 -6.555 1.00 0.60 N ATOM 141 CA VAL A 45 -8.045 -7.032 -7.191 1.00 0.57 C ATOM 142 C VAL A 45 -6.935 -7.530 -6.263 1.00 0.54 C ATOM 143 O VAL A 45 -6.324 -8.569 -6.511 1.00 0.67 O ATOM 144 CB VAL A 45 -7.404 -6.482 -8.489 1.00 0.67 C ATOM 145 CG1 VAL A 45 -8.473 -5.971 -9.437 1.00 1.01 C ATOM 146 CG2 VAL A 45 -6.394 -5.387 -8.188 1.00 1.33 C ATOM 0 H VAL A 45 -8.884 -5.119 -7.006 1.00 0.60 H new ATOM 0 HA VAL A 45 -8.696 -7.873 -7.430 1.00 0.57 H new ATOM 0 HB VAL A 45 -6.873 -7.303 -8.970 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -8.003 -5.589 -10.343 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -9.150 -6.785 -9.695 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -9.035 -5.171 -8.955 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -5.963 -5.023 -9.121 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -6.891 -4.565 -7.673 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -5.602 -5.786 -7.554 1.00 1.33 H new ATOM 156 N VAL A 46 -6.674 -6.787 -5.203 1.00 0.43 N ATOM 157 CA VAL A 46 -5.638 -7.155 -4.254 1.00 0.40 C ATOM 158 C VAL A 46 -6.085 -8.341 -3.399 1.00 0.46 C ATOM 159 O VAL A 46 -5.265 -9.143 -2.954 1.00 0.53 O ATOM 160 CB VAL A 46 -5.273 -5.961 -3.343 1.00 0.37 C ATOM 161 CG1 VAL A 46 -4.093 -6.302 -2.451 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.976 -4.718 -4.173 1.00 0.41 C ATOM 0 H VAL A 46 -7.166 -5.923 -4.977 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.754 -7.442 -4.823 1.00 0.40 H new ATOM 0 HB VAL A 46 -6.132 -5.749 -2.706 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.855 -5.446 -1.819 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -4.346 -7.157 -1.824 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.229 -6.548 -3.069 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.722 -3.890 -3.511 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.139 -4.918 -4.841 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.855 -4.455 -4.761 1.00 0.41 H new ATOM 172 N GLY A 47 -7.395 -8.479 -3.230 1.00 0.51 N ATOM 173 CA GLY A 47 -7.935 -9.510 -2.365 1.00 0.59 C ATOM 174 C GLY A 47 -7.999 -10.871 -3.036 1.00 0.65 C ATOM 175 O GLY A 47 -8.591 -11.807 -2.500 1.00 0.78 O ATOM 0 H GLY A 47 -8.096 -7.891 -3.680 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.321 -9.582 -1.467 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.936 -9.221 -2.045 1.00 0.59 H new ATOM 179 N LYS A 48 -7.391 -10.985 -4.208 1.00 0.66 N ATOM 180 CA LYS A 48 -7.354 -12.252 -4.926 1.00 0.79 C ATOM 181 C LYS A 48 -6.177 -13.103 -4.473 1.00 0.73 C ATOM 182 O LYS A 48 -6.216 -14.330 -4.563 1.00 0.86 O ATOM 183 CB LYS A 48 -7.269 -12.013 -6.434 1.00 0.94 C ATOM 184 CG LYS A 48 -8.530 -11.415 -7.032 1.00 1.18 C ATOM 185 CD LYS A 48 -9.739 -12.324 -6.825 1.00 1.81 C ATOM 186 CE LYS A 48 -9.546 -13.695 -7.466 1.00 2.64 C ATOM 187 NZ LYS A 48 -9.314 -13.606 -8.934 1.00 3.22 N ATOM 0 H LYS A 48 -6.917 -10.216 -4.682 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.276 -12.788 -4.702 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.430 -11.349 -6.640 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -7.056 -12.959 -6.931 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -8.723 -10.443 -6.577 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -8.382 -11.244 -8.098 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -9.921 -12.446 -5.757 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -10.625 -11.849 -7.247 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -8.700 -14.197 -6.997 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -10.426 -14.309 -7.276 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -9.324 -14.561 -9.346 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -10.065 -13.033 -9.370 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -8.391 -13.161 -9.113 1.00 3.22 H new ATOM 201 N ASP A 49 -5.136 -12.453 -3.972 1.00 0.61 N ATOM 202 CA ASP A 49 -3.934 -13.165 -3.552 1.00 0.65 C ATOM 203 C ASP A 49 -3.343 -12.510 -2.310 1.00 0.53 C ATOM 204 O ASP A 49 -2.127 -12.486 -2.110 1.00 0.60 O ATOM 205 CB ASP A 49 -2.916 -13.166 -4.697 1.00 0.80 C ATOM 206 CG ASP A 49 -1.906 -14.293 -4.590 1.00 1.61 C ATOM 207 OD1 ASP A 49 -2.310 -15.472 -4.681 1.00 2.39 O ATOM 208 OD2 ASP A 49 -0.706 -14.014 -4.406 1.00 1.93 O ATOM 0 H ASP A 49 -5.097 -11.441 -3.846 1.00 0.61 H new ATOM 0 HA ASP A 49 -4.191 -14.195 -3.305 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -3.445 -13.248 -5.646 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.388 -12.212 -4.708 1.00 0.80 H new ATOM 213 N LYS A 50 -4.231 -12.036 -1.448 1.00 0.43 N ATOM 214 CA LYS A 50 -3.842 -11.270 -0.268 1.00 0.39 C ATOM 215 C LYS A 50 -3.032 -12.115 0.730 1.00 0.32 C ATOM 216 O LYS A 50 -2.041 -11.625 1.262 1.00 0.29 O ATOM 217 CB LYS A 50 -5.078 -10.663 0.411 1.00 0.50 C ATOM 218 CG LYS A 50 -4.828 -9.307 1.072 1.00 0.74 C ATOM 219 CD LYS A 50 -4.209 -9.430 2.457 1.00 0.72 C ATOM 220 CE LYS A 50 -5.188 -10.028 3.448 1.00 0.80 C ATOM 221 NZ LYS A 50 -4.683 -9.958 4.845 1.00 1.17 N ATOM 0 H LYS A 50 -5.238 -12.170 -1.544 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.193 -10.462 -0.605 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.869 -10.553 -0.331 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.444 -11.360 1.165 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -4.170 -8.714 0.437 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -5.771 -8.766 1.147 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -3.316 -10.053 2.404 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -3.892 -8.447 2.804 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -6.139 -9.501 3.380 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -5.380 -11.068 3.184 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -5.384 -10.378 5.489 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -3.788 -10.483 4.917 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -4.524 -8.964 5.107 1.00 1.17 H new ATOM 235 N PRO A 51 -3.428 -13.384 1.017 1.00 0.34 N ATOM 236 CA PRO A 51 -2.679 -14.257 1.940 1.00 0.33 C ATOM 237 C PRO A 51 -1.189 -14.392 1.607 1.00 0.29 C ATOM 238 O PRO A 51 -0.386 -14.720 2.480 1.00 0.29 O ATOM 239 CB PRO A 51 -3.377 -15.607 1.803 1.00 0.45 C ATOM 240 CG PRO A 51 -4.764 -15.268 1.406 1.00 0.65 C ATOM 241 CD PRO A 51 -4.649 -14.061 0.523 1.00 0.44 C ATOM 0 HA PRO A 51 -2.686 -13.845 2.949 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.891 -16.231 1.053 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.357 -16.161 2.741 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -5.234 -16.097 0.877 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.381 -15.057 2.279 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.556 -14.339 -0.527 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.525 -13.418 0.606 1.00 0.44 H new ATOM 249 N THR A 52 -0.809 -14.138 0.359 1.00 0.29 N ATOM 250 CA THR A 52 0.599 -14.187 -0.018 1.00 0.28 C ATOM 251 C THR A 52 1.343 -12.980 0.557 1.00 0.25 C ATOM 252 O THR A 52 2.403 -13.118 1.187 1.00 0.25 O ATOM 253 CB THR A 52 0.757 -14.205 -1.546 1.00 0.33 C ATOM 254 OG1 THR A 52 -0.129 -15.178 -2.118 1.00 0.45 O ATOM 255 CG2 THR A 52 2.192 -14.524 -1.942 1.00 0.40 C ATOM 0 H THR A 52 -1.447 -13.899 -0.400 1.00 0.29 H new ATOM 0 HA THR A 52 1.025 -15.104 0.390 1.00 0.28 H new ATOM 0 HB THR A 52 0.506 -13.215 -1.926 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.131 -15.085 -3.094 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.277 -14.531 -3.029 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.860 -13.767 -1.531 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.468 -15.503 -1.551 1.00 0.40 H new ATOM 263 N TYR A 53 0.752 -11.797 0.386 1.00 0.25 N ATOM 264 CA TYR A 53 1.324 -10.582 0.949 1.00 0.25 C ATOM 265 C TYR A 53 1.135 -10.613 2.459 1.00 0.22 C ATOM 266 O TYR A 53 1.866 -9.971 3.208 1.00 0.21 O ATOM 267 CB TYR A 53 0.640 -9.323 0.393 1.00 0.28 C ATOM 268 CG TYR A 53 0.304 -9.358 -1.088 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.280 -9.178 -2.060 1.00 0.44 C ATOM 270 CD2 TYR A 53 -1.008 -9.535 -1.506 1.00 0.49 C ATOM 271 CE1 TYR A 53 0.956 -9.178 -3.406 1.00 0.53 C ATOM 272 CE2 TYR A 53 -1.339 -9.542 -2.847 1.00 0.59 C ATOM 273 CZ TYR A 53 -0.356 -9.360 -3.794 1.00 0.56 C ATOM 274 OH TYR A 53 -0.696 -9.361 -5.134 1.00 0.70 O ATOM 0 H TYR A 53 -0.115 -11.658 -0.134 1.00 0.25 H new ATOM 0 HA TYR A 53 2.380 -10.543 0.682 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.280 -9.154 0.952 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.288 -8.467 0.580 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.308 -9.036 -1.761 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.785 -9.670 -0.768 1.00 0.49 H new ATOM 0 HE1 TYR A 53 1.727 -9.036 -4.149 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -2.365 -9.690 -3.152 1.00 0.59 H new ATOM 0 HH TYR A 53 -0.988 -8.464 -5.398 1.00 0.70 H new ATOM 284 N ASP A 54 0.149 -11.401 2.882 1.00 0.23 N ATOM 285 CA ASP A 54 -0.162 -11.604 4.291 1.00 0.24 C ATOM 286 C ASP A 54 0.951 -12.405 4.955 1.00 0.21 C ATOM 287 O ASP A 54 1.369 -12.102 6.072 1.00 0.22 O ATOM 288 CB ASP A 54 -1.499 -12.340 4.418 1.00 0.29 C ATOM 289 CG ASP A 54 -2.061 -12.348 5.825 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.736 -13.288 6.583 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.789 -11.407 6.192 1.00 0.73 O ATOM 0 H ASP A 54 -0.460 -11.920 2.250 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.241 -10.638 4.790 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.224 -11.875 3.750 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.370 -13.369 4.082 1.00 0.29 H new ATOM 296 N GLU A 55 1.443 -13.422 4.245 1.00 0.23 N ATOM 297 CA GLU A 55 2.579 -14.207 4.716 1.00 0.25 C ATOM 298 C GLU A 55 3.787 -13.302 4.889 1.00 0.24 C ATOM 299 O GLU A 55 4.386 -13.251 5.963 1.00 0.30 O ATOM 300 CB GLU A 55 2.923 -15.340 3.742 1.00 0.32 C ATOM 301 CG GLU A 55 4.131 -16.162 4.181 1.00 0.41 C ATOM 302 CD GLU A 55 4.556 -17.195 3.159 1.00 1.13 C ATOM 303 OE1 GLU A 55 5.358 -16.858 2.265 1.00 1.86 O ATOM 304 OE2 GLU A 55 4.101 -18.354 3.257 1.00 1.66 O ATOM 0 H GLU A 55 1.071 -13.719 3.343 1.00 0.23 H new ATOM 0 HA GLU A 55 2.306 -14.654 5.672 1.00 0.25 H new ATOM 0 HB2 GLU A 55 2.060 -15.999 3.641 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.118 -14.917 2.757 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.967 -15.490 4.378 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.898 -16.664 5.120 1.00 0.41 H new ATOM 311 N ILE A 56 4.125 -12.573 3.824 1.00 0.22 N ATOM 312 CA ILE A 56 5.239 -11.631 3.871 1.00 0.24 C ATOM 313 C ILE A 56 5.049 -10.656 5.030 1.00 0.24 C ATOM 314 O ILE A 56 5.982 -10.382 5.784 1.00 0.27 O ATOM 315 CB ILE A 56 5.367 -10.832 2.553 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.429 -11.779 1.353 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.604 -9.942 2.590 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.433 -11.063 0.019 1.00 0.32 C ATOM 0 H ILE A 56 3.645 -12.618 2.925 1.00 0.22 H new ATOM 0 HA ILE A 56 6.152 -12.209 4.013 1.00 0.24 H new ATOM 0 HB ILE A 56 4.485 -10.200 2.447 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.327 -12.392 1.430 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.576 -12.457 1.390 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.680 -9.386 1.656 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.525 -9.243 3.423 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.493 -10.560 2.718 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.478 -11.795 -0.787 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.523 -10.471 -0.079 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.301 -10.406 -0.039 1.00 0.32 H new ATOM 330 N PHE A 57 3.820 -10.179 5.179 1.00 0.22 N ATOM 331 CA PHE A 57 3.452 -9.241 6.230 1.00 0.23 C ATOM 332 C PHE A 57 3.815 -9.780 7.618 1.00 0.26 C ATOM 333 O PHE A 57 4.535 -9.132 8.381 1.00 0.29 O ATOM 334 CB PHE A 57 1.948 -8.958 6.148 1.00 0.23 C ATOM 335 CG PHE A 57 1.456 -7.916 7.100 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.582 -6.570 6.801 1.00 0.27 C ATOM 337 CD2 PHE A 57 0.875 -8.280 8.298 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.139 -5.610 7.682 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.428 -7.325 9.181 1.00 0.39 C ATOM 340 CZ PHE A 57 0.529 -5.985 8.853 1.00 0.34 C ATOM 0 H PHE A 57 3.044 -10.435 4.568 1.00 0.22 H new ATOM 0 HA PHE A 57 4.012 -8.318 6.082 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.706 -8.646 5.132 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.407 -9.886 6.334 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.033 -6.270 5.866 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.770 -9.326 8.545 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.271 -4.563 7.452 1.00 0.30 H new ATOM 0 HE2 PHE A 57 -0.000 -7.620 10.127 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.128 -5.234 9.518 1.00 0.34 H new ATOM 350 N TYR A 58 3.329 -10.971 7.938 1.00 0.33 N ATOM 351 CA TYR A 58 3.536 -11.547 9.263 1.00 0.40 C ATOM 352 C TYR A 58 4.981 -11.989 9.481 1.00 0.44 C ATOM 353 O TYR A 58 5.428 -12.110 10.622 1.00 0.62 O ATOM 354 CB TYR A 58 2.576 -12.716 9.509 1.00 0.46 C ATOM 355 CG TYR A 58 1.161 -12.282 9.826 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.319 -11.802 8.830 1.00 0.60 C ATOM 357 CD2 TYR A 58 0.665 -12.359 11.119 1.00 0.77 C ATOM 358 CE1 TYR A 58 -0.976 -11.409 9.119 1.00 0.71 C ATOM 359 CE2 TYR A 58 -0.624 -11.970 11.413 1.00 0.87 C ATOM 360 CZ TYR A 58 -1.437 -11.474 10.400 1.00 0.78 C ATOM 361 OH TYR A 58 -2.726 -11.104 10.720 1.00 0.91 O ATOM 0 H TYR A 58 2.790 -11.558 7.301 1.00 0.33 H new ATOM 0 HA TYR A 58 3.323 -10.760 9.986 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.562 -13.355 8.626 1.00 0.46 H new ATOM 0 HB3 TYR A 58 2.955 -13.319 10.334 1.00 0.46 H new ATOM 0 HD1 TYR A 58 0.681 -11.735 7.815 1.00 0.60 H new ATOM 0 HD2 TYR A 58 1.300 -12.730 11.909 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -1.621 -11.051 8.330 1.00 0.71 H new ATOM 0 HE2 TYR A 58 -1.000 -12.050 12.422 1.00 0.87 H new ATOM 0 HH TYR A 58 -2.870 -11.221 11.682 1.00 0.91 H new ATOM 371 N THR A 59 5.720 -12.213 8.397 1.00 0.40 N ATOM 372 CA THR A 59 7.126 -12.583 8.516 1.00 0.45 C ATOM 373 C THR A 59 8.007 -11.344 8.701 1.00 0.48 C ATOM 374 O THR A 59 9.228 -11.449 8.803 1.00 0.56 O ATOM 375 CB THR A 59 7.622 -13.388 7.293 1.00 0.49 C ATOM 376 OG1 THR A 59 7.472 -12.626 6.088 1.00 0.48 O ATOM 377 CG2 THR A 59 6.871 -14.707 7.161 1.00 0.58 C ATOM 0 H THR A 59 5.374 -12.146 7.440 1.00 0.40 H new ATOM 0 HA THR A 59 7.205 -13.219 9.398 1.00 0.45 H new ATOM 0 HB THR A 59 8.679 -13.603 7.450 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.943 -11.822 6.273 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.241 -15.251 6.292 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.027 -15.306 8.058 1.00 0.58 H new ATOM 0 HG23 THR A 59 5.806 -14.509 7.038 1.00 0.58 H new ATOM 385 N LEU A 60 7.376 -10.175 8.741 1.00 0.48 N ATOM 386 CA LEU A 60 8.089 -8.925 8.967 1.00 0.56 C ATOM 387 C LEU A 60 7.857 -8.432 10.389 1.00 0.61 C ATOM 388 O LEU A 60 8.288 -7.340 10.755 1.00 0.71 O ATOM 389 CB LEU A 60 7.647 -7.861 7.960 1.00 0.64 C ATOM 390 CG LEU A 60 8.025 -8.146 6.505 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.530 -7.032 5.604 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.531 -8.313 6.362 1.00 1.17 C ATOM 0 H LEU A 60 6.369 -10.068 8.619 1.00 0.48 H new ATOM 0 HA LEU A 60 9.154 -9.109 8.829 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.564 -7.751 8.023 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.082 -6.905 8.251 1.00 0.64 H new ATOM 0 HG LEU A 60 7.547 -9.078 6.203 1.00 0.42 H new ATOM 0 HD11 LEU A 60 7.806 -7.249 4.572 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.445 -6.957 5.681 1.00 0.86 H new ATOM 0 HD13 LEU A 60 7.982 -6.089 5.910 1.00 0.86 H new ATOM 0 HD21 LEU A 60 9.777 -8.515 5.320 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.031 -7.399 6.682 1.00 1.17 H new ATOM 0 HD23 LEU A 60 9.865 -9.145 6.982 1.00 1.17 H new ATOM 404 N SER A 61 7.184 -9.269 11.180 1.00 0.59 N ATOM 405 CA SER A 61 6.873 -8.966 12.578 1.00 0.66 C ATOM 406 C SER A 61 5.895 -7.791 12.696 1.00 0.70 C ATOM 407 O SER A 61 6.294 -6.634 12.828 1.00 0.78 O ATOM 408 CB SER A 61 8.155 -8.686 13.368 1.00 0.74 C ATOM 409 OG SER A 61 9.080 -9.757 13.226 1.00 1.14 O ATOM 0 H SER A 61 6.839 -10.177 10.869 1.00 0.59 H new ATOM 0 HA SER A 61 6.387 -9.843 13.006 1.00 0.66 H new ATOM 0 HB2 SER A 61 8.608 -7.759 13.017 1.00 0.74 H new ATOM 0 HB3 SER A 61 7.915 -8.544 14.422 1.00 0.74 H new ATOM 0 HG SER A 61 9.892 -9.558 13.737 1.00 1.14 H new ATOM 415 N PRO A 62 4.589 -8.087 12.637 1.00 0.67 N ATOM 416 CA PRO A 62 3.542 -7.084 12.741 1.00 0.71 C ATOM 417 C PRO A 62 3.217 -6.738 14.192 1.00 0.83 C ATOM 418 O PRO A 62 2.775 -7.589 14.967 1.00 1.10 O ATOM 419 CB PRO A 62 2.332 -7.744 12.067 1.00 0.72 C ATOM 420 CG PRO A 62 2.745 -9.147 11.728 1.00 0.68 C ATOM 421 CD PRO A 62 4.025 -9.424 12.465 1.00 0.65 C ATOM 0 HA PRO A 62 3.838 -6.143 12.278 1.00 0.71 H new ATOM 0 HB2 PRO A 62 1.469 -7.744 12.733 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.042 -7.198 11.170 1.00 0.72 H new ATOM 0 HG2 PRO A 62 1.971 -9.857 12.020 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.889 -9.257 10.653 1.00 0.68 H new ATOM 0 HD2 PRO A 62 3.844 -9.914 13.422 1.00 0.65 H new ATOM 0 HD3 PRO A 62 4.689 -10.074 11.895 1.00 0.65 H new ATOM 429 N VAL A 63 3.435 -5.487 14.556 1.00 0.70 N ATOM 430 CA VAL A 63 3.120 -5.020 15.893 1.00 0.79 C ATOM 431 C VAL A 63 1.692 -4.496 15.927 1.00 0.78 C ATOM 432 O VAL A 63 1.344 -3.569 15.190 1.00 0.72 O ATOM 433 CB VAL A 63 4.089 -3.916 16.360 1.00 0.83 C ATOM 434 CG1 VAL A 63 3.770 -3.482 17.783 1.00 1.60 C ATOM 435 CG2 VAL A 63 5.529 -4.394 16.261 1.00 1.66 C ATOM 0 H VAL A 63 3.830 -4.775 13.942 1.00 0.70 H new ATOM 0 HA VAL A 63 3.226 -5.864 16.574 1.00 0.79 H new ATOM 0 HB VAL A 63 3.963 -3.054 15.704 1.00 0.83 H new ATOM 0 HG11 VAL A 63 4.467 -2.702 18.090 1.00 1.60 H new ATOM 0 HG12 VAL A 63 2.752 -3.096 17.826 1.00 1.60 H new ATOM 0 HG13 VAL A 63 3.863 -4.336 18.453 1.00 1.60 H new ATOM 0 HG21 VAL A 63 6.199 -3.602 16.595 1.00 1.66 H new ATOM 0 HG22 VAL A 63 5.665 -5.273 16.891 1.00 1.66 H new ATOM 0 HG23 VAL A 63 5.757 -4.650 15.226 1.00 1.66 H new ATOM 445 N ASN A 64 0.862 -5.128 16.755 1.00 0.92 N ATOM 446 CA ASN A 64 -0.552 -4.767 16.879 1.00 1.00 C ATOM 447 C ASN A 64 -1.287 -4.998 15.558 1.00 0.91 C ATOM 448 O ASN A 64 -2.343 -4.415 15.304 1.00 0.97 O ATOM 449 CB ASN A 64 -0.709 -3.308 17.339 1.00 1.05 C ATOM 450 CG ASN A 64 -0.243 -3.090 18.770 1.00 1.25 C ATOM 451 OD1 ASN A 64 -0.346 -3.979 19.614 1.00 1.98 O ATOM 452 ND2 ASN A 64 0.283 -1.906 19.047 1.00 1.61 N ATOM 0 H ASN A 64 1.147 -5.901 17.356 1.00 0.92 H new ATOM 0 HA ASN A 64 -0.999 -5.410 17.637 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.141 -2.658 16.673 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.755 -3.015 17.253 1.00 1.05 H new ATOM 0 HD21 ASN A 64 0.620 -1.705 19.988 1.00 1.61 H new ATOM 0 HD22 ASN A 64 0.351 -1.195 18.319 1.00 1.61 H new ATOM 459 N GLY A 65 -0.732 -5.879 14.732 1.00 0.83 N ATOM 460 CA GLY A 65 -1.369 -6.226 13.478 1.00 0.78 C ATOM 461 C GLY A 65 -0.978 -5.303 12.337 1.00 0.59 C ATOM 462 O GLY A 65 -1.607 -5.322 11.281 1.00 0.59 O ATOM 0 H GLY A 65 0.150 -6.359 14.911 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.106 -7.251 13.215 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.451 -6.197 13.607 1.00 0.78 H new ATOM 466 N LYS A 66 0.051 -4.495 12.547 1.00 0.51 N ATOM 467 CA LYS A 66 0.516 -3.574 11.517 1.00 0.40 C ATOM 468 C LYS A 66 2.042 -3.563 11.484 1.00 0.36 C ATOM 469 O LYS A 66 2.688 -3.672 12.527 1.00 0.55 O ATOM 470 CB LYS A 66 -0.021 -2.164 11.792 1.00 0.52 C ATOM 471 CG LYS A 66 0.101 -1.230 10.604 1.00 0.70 C ATOM 472 CD LYS A 66 -0.344 0.185 10.929 1.00 0.74 C ATOM 473 CE LYS A 66 -1.827 0.278 11.228 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.457 1.402 10.485 1.00 0.97 N ATOM 0 H LYS A 66 0.580 -4.457 13.419 1.00 0.51 H new ATOM 0 HA LYS A 66 0.145 -3.905 10.547 1.00 0.40 H new ATOM 0 HB2 LYS A 66 -1.069 -2.233 12.084 1.00 0.52 H new ATOM 0 HB3 LYS A 66 0.518 -1.737 12.637 1.00 0.52 H new ATOM 0 HG2 LYS A 66 1.137 -1.213 10.264 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -0.499 -1.616 9.780 1.00 0.70 H new ATOM 0 HD2 LYS A 66 0.219 0.550 11.788 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.105 0.838 10.090 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -2.314 -0.659 10.957 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -1.977 0.417 12.299 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.386 1.616 10.901 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.848 2.243 10.547 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.578 1.134 9.487 1.00 0.97 H new ATOM 488 N ILE A 67 2.621 -3.458 10.296 1.00 0.30 N ATOM 489 CA ILE A 67 4.075 -3.430 10.172 1.00 0.29 C ATOM 490 C ILE A 67 4.581 -2.009 9.988 1.00 0.28 C ATOM 491 O ILE A 67 3.869 -1.138 9.477 1.00 0.37 O ATOM 492 CB ILE A 67 4.594 -4.302 9.009 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.041 -3.812 7.666 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.242 -5.763 9.242 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.651 -4.509 6.470 1.00 0.31 C ATOM 0 H ILE A 67 2.115 -3.391 9.413 1.00 0.30 H new ATOM 0 HA ILE A 67 4.461 -3.844 11.104 1.00 0.29 H new ATOM 0 HB ILE A 67 5.680 -4.213 8.973 1.00 0.30 H new ATOM 0 HG12 ILE A 67 2.961 -3.961 7.651 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.216 -2.740 7.580 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.615 -6.364 8.413 1.00 0.32 H new ATOM 0 HG22 ILE A 67 4.699 -6.104 10.171 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.159 -5.870 9.309 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.212 -4.112 5.555 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.728 -4.339 6.460 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.453 -5.579 6.532 1.00 0.31 H new ATOM 507 N THR A 68 5.814 -1.786 10.407 1.00 0.28 N ATOM 508 CA THR A 68 6.429 -0.476 10.323 1.00 0.26 C ATOM 509 C THR A 68 7.131 -0.289 8.984 1.00 0.25 C ATOM 510 O THR A 68 7.442 -1.261 8.291 1.00 0.31 O ATOM 511 CB THR A 68 7.431 -0.268 11.477 1.00 0.31 C ATOM 512 OG1 THR A 68 8.267 -1.422 11.615 1.00 1.31 O ATOM 513 CG2 THR A 68 6.709 -0.015 12.793 1.00 1.12 C ATOM 0 H THR A 68 6.413 -2.505 10.813 1.00 0.28 H new ATOM 0 HA THR A 68 5.638 0.269 10.407 1.00 0.26 H new ATOM 0 HB THR A 68 8.039 0.604 11.237 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.901 -1.281 12.349 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.441 0.128 13.588 1.00 1.12 H new ATOM 0 HG22 THR A 68 6.092 0.879 12.703 1.00 1.12 H new ATOM 0 HG23 THR A 68 6.077 -0.870 13.031 1.00 1.12 H new ATOM 521 N GLY A 69 7.385 0.964 8.626 1.00 0.24 N ATOM 522 CA GLY A 69 8.054 1.254 7.370 1.00 0.26 C ATOM 523 C GLY A 69 9.475 0.719 7.312 1.00 0.25 C ATOM 524 O GLY A 69 10.101 0.742 6.261 1.00 0.33 O ATOM 0 H GLY A 69 7.140 1.784 9.181 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.477 0.825 6.551 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.072 2.333 7.216 1.00 0.26 H new ATOM 528 N ALA A 70 9.980 0.230 8.438 1.00 0.23 N ATOM 529 CA ALA A 70 11.317 -0.339 8.489 1.00 0.24 C ATOM 530 C ALA A 70 11.394 -1.628 7.676 1.00 0.22 C ATOM 531 O ALA A 70 12.175 -1.733 6.727 1.00 0.25 O ATOM 532 CB ALA A 70 11.728 -0.591 9.932 1.00 0.27 C ATOM 0 H ALA A 70 9.482 0.217 9.328 1.00 0.23 H new ATOM 0 HA ALA A 70 12.010 0.378 8.048 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.731 -1.017 9.956 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.720 0.350 10.482 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.027 -1.287 10.394 1.00 0.27 H new ATOM 538 N ASN A 71 10.561 -2.598 8.029 1.00 0.29 N ATOM 539 CA ASN A 71 10.536 -3.866 7.320 1.00 0.32 C ATOM 540 C ASN A 71 9.851 -3.711 5.971 1.00 0.24 C ATOM 541 O ASN A 71 10.203 -4.386 5.003 1.00 0.20 O ATOM 542 CB ASN A 71 9.841 -4.938 8.162 1.00 0.48 C ATOM 543 CG ASN A 71 8.660 -4.407 8.953 1.00 0.69 C ATOM 544 OD1 ASN A 71 7.557 -4.289 8.432 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.884 -4.101 10.226 1.00 0.71 N ATOM 0 H ASN A 71 9.896 -2.530 8.800 1.00 0.29 H new ATOM 0 HA ASN A 71 11.564 -4.183 7.145 1.00 0.32 H new ATOM 0 HB2 ASN A 71 9.500 -5.740 7.507 1.00 0.48 H new ATOM 0 HB3 ASN A 71 10.564 -5.375 8.851 1.00 0.48 H new ATOM 0 HD21 ASN A 71 8.122 -3.753 10.809 1.00 0.71 H new ATOM 0 HD22 ASN A 71 9.818 -4.214 10.621 1.00 0.71 H new ATOM 552 N ALA A 72 8.890 -2.799 5.903 1.00 0.26 N ATOM 553 CA ALA A 72 8.207 -2.507 4.653 1.00 0.26 C ATOM 554 C ALA A 72 9.203 -1.992 3.619 1.00 0.20 C ATOM 555 O ALA A 72 9.280 -2.509 2.507 1.00 0.21 O ATOM 556 CB ALA A 72 7.096 -1.496 4.878 1.00 0.32 C ATOM 0 H ALA A 72 8.567 -2.250 6.699 1.00 0.26 H new ATOM 0 HA ALA A 72 7.759 -3.426 4.275 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.595 -1.289 3.932 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.375 -1.900 5.589 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.519 -0.573 5.274 1.00 0.32 H new ATOM 562 N LYS A 73 9.991 -0.991 4.009 1.00 0.19 N ATOM 563 CA LYS A 73 10.997 -0.425 3.119 1.00 0.17 C ATOM 564 C LYS A 73 12.052 -1.472 2.787 1.00 0.18 C ATOM 565 O LYS A 73 12.595 -1.484 1.686 1.00 0.20 O ATOM 566 CB LYS A 73 11.660 0.805 3.751 1.00 0.19 C ATOM 567 CG LYS A 73 12.543 1.587 2.795 1.00 0.31 C ATOM 568 CD LYS A 73 13.960 1.735 3.334 1.00 0.58 C ATOM 569 CE LYS A 73 13.972 2.378 4.715 1.00 0.91 C ATOM 570 NZ LYS A 73 15.347 2.480 5.271 1.00 1.36 N ATOM 0 H LYS A 73 9.951 -0.558 4.932 1.00 0.19 H new ATOM 0 HA LYS A 73 10.501 -0.112 2.200 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.884 1.466 4.137 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.259 0.485 4.604 1.00 0.19 H new ATOM 0 HG2 LYS A 73 12.571 1.082 1.829 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.112 2.574 2.626 1.00 0.31 H new ATOM 0 HD2 LYS A 73 14.435 0.755 3.384 1.00 0.58 H new ATOM 0 HD3 LYS A 73 14.550 2.340 2.646 1.00 0.58 H new ATOM 0 HE2 LYS A 73 13.531 3.373 4.655 1.00 0.91 H new ATOM 0 HE3 LYS A 73 13.350 1.793 5.392 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 15.309 2.923 6.211 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 15.760 1.529 5.353 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.935 3.060 4.639 1.00 1.36 H new ATOM 584 N LYS A 74 12.328 -2.353 3.745 1.00 0.20 N ATOM 585 CA LYS A 74 13.279 -3.439 3.532 1.00 0.23 C ATOM 586 C LYS A 74 12.845 -4.293 2.344 1.00 0.20 C ATOM 587 O LYS A 74 13.657 -4.639 1.483 1.00 0.22 O ATOM 588 CB LYS A 74 13.396 -4.298 4.792 1.00 0.31 C ATOM 589 CG LYS A 74 14.513 -5.323 4.721 1.00 1.15 C ATOM 590 CD LYS A 74 14.546 -6.212 5.958 1.00 1.35 C ATOM 591 CE LYS A 74 14.707 -5.402 7.238 1.00 1.67 C ATOM 592 NZ LYS A 74 15.974 -4.619 7.263 1.00 2.48 N ATOM 0 H LYS A 74 11.907 -2.336 4.674 1.00 0.20 H new ATOM 0 HA LYS A 74 14.257 -3.010 3.314 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.563 -3.649 5.651 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.450 -4.813 4.961 1.00 0.31 H new ATOM 0 HG2 LYS A 74 14.383 -5.941 3.833 1.00 1.15 H new ATOM 0 HG3 LYS A 74 15.470 -4.811 4.616 1.00 1.15 H new ATOM 0 HD2 LYS A 74 13.626 -6.794 6.011 1.00 1.35 H new ATOM 0 HD3 LYS A 74 15.368 -6.922 5.872 1.00 1.35 H new ATOM 0 HE2 LYS A 74 13.862 -4.722 7.342 1.00 1.67 H new ATOM 0 HE3 LYS A 74 14.683 -6.075 8.095 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 16.085 -4.167 8.193 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 16.778 -5.255 7.089 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 15.945 -3.888 6.524 1.00 2.48 H new ATOM 606 N GLU A 75 11.560 -4.620 2.297 1.00 0.21 N ATOM 607 CA GLU A 75 11.003 -5.366 1.177 1.00 0.22 C ATOM 608 C GLU A 75 11.174 -4.549 -0.096 1.00 0.20 C ATOM 609 O GLU A 75 11.747 -5.021 -1.074 1.00 0.24 O ATOM 610 CB GLU A 75 9.515 -5.660 1.437 1.00 0.29 C ATOM 611 CG GLU A 75 8.906 -6.760 0.566 1.00 0.33 C ATOM 612 CD GLU A 75 8.808 -6.401 -0.905 1.00 1.30 C ATOM 613 OE1 GLU A 75 8.026 -5.490 -1.241 1.00 2.16 O ATOM 614 OE2 GLU A 75 9.502 -7.040 -1.726 1.00 1.35 O ATOM 0 H GLU A 75 10.884 -4.380 3.022 1.00 0.21 H new ATOM 0 HA GLU A 75 11.526 -6.316 1.064 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.394 -5.939 2.484 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.948 -4.742 1.284 1.00 0.29 H new ATOM 0 HG2 GLU A 75 9.506 -7.664 0.669 1.00 0.33 H new ATOM 0 HG3 GLU A 75 7.909 -6.994 0.939 1.00 0.33 H new ATOM 621 N MET A 76 10.730 -3.299 -0.038 1.00 0.19 N ATOM 622 CA MET A 76 10.713 -2.418 -1.204 1.00 0.20 C ATOM 623 C MET A 76 12.113 -2.188 -1.780 1.00 0.22 C ATOM 624 O MET A 76 12.272 -2.012 -2.990 1.00 0.29 O ATOM 625 CB MET A 76 10.058 -1.081 -0.841 1.00 0.22 C ATOM 626 CG MET A 76 8.673 -1.246 -0.233 1.00 0.24 C ATOM 627 SD MET A 76 7.855 0.320 0.128 1.00 0.39 S ATOM 628 CE MET A 76 7.501 0.911 -1.524 1.00 0.51 C ATOM 0 H MET A 76 10.373 -2.867 0.814 1.00 0.19 H new ATOM 0 HA MET A 76 10.127 -2.912 -1.979 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.697 -0.548 -0.137 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.985 -0.463 -1.736 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.051 -1.823 -0.917 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.755 -1.824 0.687 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.108 1.792 -1.733 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.733 0.130 -2.248 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.445 1.172 -1.599 1.00 0.51 H new ATOM 638 N VAL A 77 13.135 -2.188 -0.929 1.00 0.20 N ATOM 639 CA VAL A 77 14.502 -2.022 -1.410 1.00 0.26 C ATOM 640 C VAL A 77 15.061 -3.348 -1.926 1.00 0.27 C ATOM 641 O VAL A 77 16.021 -3.366 -2.702 1.00 0.32 O ATOM 642 CB VAL A 77 15.457 -1.436 -0.342 1.00 0.37 C ATOM 643 CG1 VAL A 77 14.966 -0.077 0.130 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.634 -2.385 0.834 1.00 0.96 C ATOM 0 H VAL A 77 13.046 -2.299 0.081 1.00 0.20 H new ATOM 0 HA VAL A 77 14.448 -1.301 -2.226 1.00 0.26 H new ATOM 0 HB VAL A 77 16.434 -1.308 -0.809 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.651 0.317 0.880 1.00 1.34 H new ATOM 0 HG12 VAL A 77 14.922 0.608 -0.717 1.00 1.34 H new ATOM 0 HG13 VAL A 77 13.972 -0.180 0.565 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.311 -1.939 1.563 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.667 -2.569 1.302 1.00 0.96 H new ATOM 0 HG23 VAL A 77 16.051 -3.328 0.481 1.00 0.96 H new ATOM 654 N LYS A 78 14.462 -4.456 -1.498 1.00 0.27 N ATOM 655 CA LYS A 78 14.818 -5.764 -2.039 1.00 0.32 C ATOM 656 C LYS A 78 14.161 -5.966 -3.394 1.00 0.32 C ATOM 657 O LYS A 78 14.634 -6.757 -4.211 1.00 0.40 O ATOM 658 CB LYS A 78 14.418 -6.902 -1.093 1.00 0.43 C ATOM 659 CG LYS A 78 15.349 -7.065 0.094 1.00 0.59 C ATOM 660 CD LYS A 78 15.020 -8.321 0.882 1.00 0.83 C ATOM 661 CE LYS A 78 16.033 -8.571 1.984 1.00 1.36 C ATOM 662 NZ LYS A 78 15.770 -9.851 2.683 1.00 2.20 N ATOM 0 H LYS A 78 13.734 -4.475 -0.784 1.00 0.27 H new ATOM 0 HA LYS A 78 15.902 -5.788 -2.150 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.407 -6.721 -0.728 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.392 -7.836 -1.654 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.381 -7.111 -0.254 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.270 -6.194 0.744 1.00 0.59 H new ATOM 0 HD2 LYS A 78 14.025 -8.228 1.316 1.00 0.83 H new ATOM 0 HD3 LYS A 78 14.995 -9.178 0.209 1.00 0.83 H new ATOM 0 HE2 LYS A 78 17.037 -8.586 1.560 1.00 1.36 H new ATOM 0 HE3 LYS A 78 16.002 -7.751 2.701 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 16.480 -9.991 3.430 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 14.821 -9.826 3.108 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 15.824 -10.636 2.003 1.00 2.20 H new ATOM 676 N SER A 79 13.068 -5.244 -3.623 1.00 0.29 N ATOM 677 CA SER A 79 12.400 -5.243 -4.915 1.00 0.33 C ATOM 678 C SER A 79 13.320 -4.644 -5.982 1.00 0.33 C ATOM 679 O SER A 79 13.166 -4.910 -7.174 1.00 0.42 O ATOM 680 CB SER A 79 11.112 -4.428 -4.829 1.00 0.37 C ATOM 681 OG SER A 79 10.462 -4.621 -3.583 1.00 0.91 O ATOM 0 H SER A 79 12.625 -4.649 -2.923 1.00 0.29 H new ATOM 0 HA SER A 79 12.159 -6.270 -5.190 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.339 -3.370 -4.963 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.442 -4.716 -5.639 1.00 0.37 H new ATOM 0 HG SER A 79 10.400 -5.580 -3.391 1.00 0.91 H new ATOM 687 N LYS A 80 14.275 -3.824 -5.524 1.00 0.31 N ATOM 688 CA LYS A 80 15.284 -3.208 -6.386 1.00 0.35 C ATOM 689 C LYS A 80 14.662 -2.182 -7.333 1.00 0.31 C ATOM 690 O LYS A 80 15.130 -1.991 -8.459 1.00 0.38 O ATOM 691 CB LYS A 80 16.049 -4.278 -7.176 1.00 0.47 C ATOM 692 CG LYS A 80 16.874 -5.210 -6.299 1.00 0.63 C ATOM 693 CD LYS A 80 17.589 -6.269 -7.121 1.00 1.03 C ATOM 694 CE LYS A 80 18.533 -5.646 -8.136 1.00 1.56 C ATOM 695 NZ LYS A 80 19.185 -6.670 -8.994 1.00 2.37 N ATOM 0 H LYS A 80 14.367 -3.570 -4.540 1.00 0.31 H new ATOM 0 HA LYS A 80 15.989 -2.681 -5.743 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.338 -4.870 -7.752 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.709 -3.787 -7.891 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.606 -4.629 -5.738 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.224 -5.693 -5.569 1.00 0.63 H new ATOM 0 HD2 LYS A 80 18.150 -6.928 -6.458 1.00 1.03 H new ATOM 0 HD3 LYS A 80 16.854 -6.887 -7.638 1.00 1.03 H new ATOM 0 HE2 LYS A 80 17.980 -4.947 -8.763 1.00 1.56 H new ATOM 0 HE3 LYS A 80 19.298 -5.071 -7.614 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 19.820 -6.202 -9.672 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 19.734 -7.323 -8.399 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 18.458 -7.203 -9.512 1.00 2.37 H new ATOM 709 N LEU A 81 13.625 -1.509 -6.860 1.00 0.30 N ATOM 710 CA LEU A 81 13.000 -0.440 -7.625 1.00 0.32 C ATOM 711 C LEU A 81 13.555 0.908 -7.172 1.00 0.33 C ATOM 712 O LEU A 81 14.089 1.018 -6.066 1.00 0.35 O ATOM 713 CB LEU A 81 11.475 -0.467 -7.453 1.00 0.35 C ATOM 714 CG LEU A 81 10.781 -1.754 -7.903 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.283 -1.660 -7.657 1.00 1.35 C ATOM 716 CD2 LEU A 81 11.064 -2.031 -9.371 1.00 0.87 C ATOM 0 H LEU A 81 13.198 -1.683 -5.950 1.00 0.30 H new ATOM 0 HA LEU A 81 13.227 -0.588 -8.681 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.243 -0.299 -6.401 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.050 0.368 -8.010 1.00 0.35 H new ATOM 0 HG LEU A 81 11.178 -2.583 -7.317 1.00 0.47 H new ATOM 0 HD11 LEU A 81 8.802 -2.583 -7.982 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.098 -1.509 -6.593 1.00 1.35 H new ATOM 0 HD13 LEU A 81 8.874 -0.820 -8.219 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.561 -2.950 -9.671 1.00 0.87 H new ATOM 0 HD22 LEU A 81 10.695 -1.202 -9.975 1.00 0.87 H new ATOM 0 HD23 LEU A 81 12.138 -2.139 -9.520 1.00 0.87 H new ATOM 728 N PRO A 82 13.451 1.949 -8.017 1.00 0.34 N ATOM 729 CA PRO A 82 13.946 3.283 -7.680 1.00 0.38 C ATOM 730 C PRO A 82 13.130 3.938 -6.569 1.00 0.35 C ATOM 731 O PRO A 82 11.919 3.732 -6.471 1.00 0.35 O ATOM 732 CB PRO A 82 13.797 4.065 -8.986 1.00 0.41 C ATOM 733 CG PRO A 82 12.740 3.346 -9.750 1.00 0.44 C ATOM 734 CD PRO A 82 12.860 1.901 -9.366 1.00 0.36 C ATOM 0 HA PRO A 82 14.969 3.253 -7.304 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.511 5.100 -8.796 1.00 0.41 H new ATOM 0 HB3 PRO A 82 14.736 4.090 -9.540 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.751 3.733 -9.506 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.878 3.477 -10.823 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.889 1.406 -9.361 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.494 1.352 -10.062 1.00 0.36 H new ATOM 742 N ASN A 83 13.804 4.738 -5.746 1.00 0.35 N ATOM 743 CA ASN A 83 13.173 5.393 -4.600 1.00 0.37 C ATOM 744 C ASN A 83 12.009 6.282 -5.028 1.00 0.33 C ATOM 745 O ASN A 83 11.062 6.473 -4.266 1.00 0.34 O ATOM 746 CB ASN A 83 14.197 6.218 -3.818 1.00 0.47 C ATOM 747 CG ASN A 83 15.276 5.359 -3.188 1.00 1.11 C ATOM 748 OD1 ASN A 83 16.315 5.111 -3.793 1.00 1.94 O ATOM 749 ND2 ASN A 83 15.036 4.895 -1.970 1.00 1.73 N ATOM 0 H ASN A 83 14.796 4.950 -5.852 1.00 0.35 H new ATOM 0 HA ASN A 83 12.779 4.607 -3.956 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.660 6.945 -4.486 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.685 6.782 -3.038 1.00 0.47 H new ATOM 0 HD21 ASN A 83 15.727 4.309 -1.502 1.00 1.73 H new ATOM 0 HD22 ASN A 83 14.160 5.124 -1.501 1.00 1.73 H new ATOM 756 N THR A 84 12.085 6.823 -6.239 1.00 0.35 N ATOM 757 CA THR A 84 11.012 7.638 -6.789 1.00 0.39 C ATOM 758 C THR A 84 9.715 6.843 -6.839 1.00 0.32 C ATOM 759 O THR A 84 8.687 7.269 -6.314 1.00 0.33 O ATOM 760 CB THR A 84 11.366 8.106 -8.209 1.00 0.48 C ATOM 761 OG1 THR A 84 12.791 8.238 -8.323 1.00 1.02 O ATOM 762 CG2 THR A 84 10.698 9.434 -8.522 1.00 1.04 C ATOM 0 H THR A 84 12.885 6.710 -6.861 1.00 0.35 H new ATOM 0 HA THR A 84 10.883 8.506 -6.143 1.00 0.39 H new ATOM 0 HB THR A 84 11.005 7.366 -8.923 1.00 0.48 H new ATOM 0 HG1 THR A 84 13.021 8.535 -9.228 1.00 1.02 H new ATOM 0 HG21 THR A 84 10.963 9.745 -9.532 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.616 9.323 -8.448 1.00 1.04 H new ATOM 0 HG23 THR A 84 11.035 10.187 -7.810 1.00 1.04 H new ATOM 770 N VAL A 85 9.786 5.672 -7.453 1.00 0.30 N ATOM 771 CA VAL A 85 8.629 4.806 -7.572 1.00 0.28 C ATOM 772 C VAL A 85 8.232 4.268 -6.202 1.00 0.22 C ATOM 773 O VAL A 85 7.055 4.226 -5.869 1.00 0.20 O ATOM 774 CB VAL A 85 8.893 3.628 -8.540 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.677 2.718 -8.641 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.283 4.142 -9.919 1.00 0.41 C ATOM 0 H VAL A 85 10.636 5.301 -7.877 1.00 0.30 H new ATOM 0 HA VAL A 85 7.813 5.402 -7.981 1.00 0.28 H new ATOM 0 HB VAL A 85 9.722 3.046 -8.137 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.891 1.899 -9.328 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.442 2.314 -7.656 1.00 0.34 H new ATOM 0 HG13 VAL A 85 6.825 3.289 -9.011 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.464 3.298 -10.584 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.475 4.754 -10.321 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.189 4.743 -9.840 1.00 0.41 H new ATOM 786 N LEU A 86 9.225 3.880 -5.407 1.00 0.24 N ATOM 787 CA LEU A 86 8.976 3.361 -4.062 1.00 0.25 C ATOM 788 C LEU A 86 8.228 4.380 -3.198 1.00 0.21 C ATOM 789 O LEU A 86 7.252 4.035 -2.532 1.00 0.23 O ATOM 790 CB LEU A 86 10.292 2.965 -3.386 1.00 0.33 C ATOM 791 CG LEU A 86 11.055 1.825 -4.059 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.325 1.509 -3.285 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.178 0.589 -4.177 1.00 0.37 C ATOM 0 H LEU A 86 10.210 3.914 -5.669 1.00 0.24 H new ATOM 0 HA LEU A 86 8.348 2.476 -4.162 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.940 3.841 -3.348 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.081 2.680 -2.355 1.00 0.33 H new ATOM 0 HG LEU A 86 11.333 2.142 -5.064 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.858 0.695 -3.777 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.962 2.393 -3.254 1.00 0.44 H new ATOM 0 HD13 LEU A 86 12.067 1.212 -2.268 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.740 -0.211 -4.659 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.868 0.267 -3.183 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.297 0.824 -4.774 1.00 0.37 H new ATOM 805 N GLY A 87 8.683 5.628 -3.221 1.00 0.21 N ATOM 806 CA GLY A 87 8.016 6.678 -2.469 1.00 0.22 C ATOM 807 C GLY A 87 6.607 6.907 -2.968 1.00 0.21 C ATOM 808 O GLY A 87 5.670 7.076 -2.181 1.00 0.23 O ATOM 0 H GLY A 87 9.502 5.933 -3.747 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.990 6.410 -1.413 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.587 7.603 -2.549 1.00 0.22 H new ATOM 812 N LYS A 88 6.466 6.897 -4.286 1.00 0.22 N ATOM 813 CA LYS A 88 5.169 7.018 -4.932 1.00 0.29 C ATOM 814 C LYS A 88 4.226 5.919 -4.439 1.00 0.22 C ATOM 815 O LYS A 88 3.087 6.191 -4.051 1.00 0.24 O ATOM 816 CB LYS A 88 5.361 6.934 -6.452 1.00 0.48 C ATOM 817 CG LYS A 88 4.079 6.997 -7.264 1.00 0.97 C ATOM 818 CD LYS A 88 4.364 6.898 -8.756 1.00 0.80 C ATOM 819 CE LYS A 88 4.993 8.167 -9.300 1.00 1.23 C ATOM 820 NZ LYS A 88 5.209 8.085 -10.770 1.00 1.71 N ATOM 0 H LYS A 88 7.247 6.805 -4.936 1.00 0.22 H new ATOM 0 HA LYS A 88 4.720 7.979 -4.681 1.00 0.29 H new ATOM 0 HB2 LYS A 88 6.013 7.749 -6.767 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.877 6.003 -6.687 1.00 0.48 H new ATOM 0 HG2 LYS A 88 3.416 6.186 -6.964 1.00 0.97 H new ATOM 0 HG3 LYS A 88 3.557 7.930 -7.052 1.00 0.97 H new ATOM 0 HD2 LYS A 88 5.029 6.055 -8.943 1.00 0.80 H new ATOM 0 HD3 LYS A 88 3.435 6.696 -9.290 1.00 0.80 H new ATOM 0 HE2 LYS A 88 4.351 9.018 -9.073 1.00 1.23 H new ATOM 0 HE3 LYS A 88 5.946 8.344 -8.801 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 5.640 8.969 -11.107 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 5.842 7.288 -10.984 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 4.296 7.941 -11.247 1.00 1.71 H new ATOM 834 N ILE A 89 4.734 4.690 -4.410 1.00 0.20 N ATOM 835 CA ILE A 89 3.949 3.531 -4.001 1.00 0.20 C ATOM 836 C ILE A 89 3.508 3.659 -2.549 1.00 0.19 C ATOM 837 O ILE A 89 2.372 3.336 -2.214 1.00 0.21 O ATOM 838 CB ILE A 89 4.743 2.215 -4.181 1.00 0.23 C ATOM 839 CG1 ILE A 89 5.048 1.977 -5.664 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.976 1.030 -3.603 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.881 0.740 -5.927 1.00 0.40 C ATOM 0 H ILE A 89 5.696 4.471 -4.668 1.00 0.20 H new ATOM 0 HA ILE A 89 3.069 3.498 -4.644 1.00 0.20 H new ATOM 0 HB ILE A 89 5.683 2.309 -3.637 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.108 1.893 -6.209 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.571 2.847 -6.062 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.556 0.118 -3.743 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.805 1.192 -2.539 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.018 0.932 -4.114 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.055 0.639 -6.998 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.837 0.829 -5.411 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.352 -0.140 -5.561 1.00 0.40 H new ATOM 853 N TRP A 90 4.404 4.144 -1.695 1.00 0.19 N ATOM 854 CA TRP A 90 4.091 4.316 -0.281 1.00 0.22 C ATOM 855 C TRP A 90 2.946 5.307 -0.104 1.00 0.24 C ATOM 856 O TRP A 90 1.953 5.005 0.555 1.00 0.28 O ATOM 857 CB TRP A 90 5.319 4.790 0.504 1.00 0.25 C ATOM 858 CG TRP A 90 5.057 4.919 1.974 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.529 5.998 2.619 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.292 3.927 2.976 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.424 5.739 3.962 1.00 0.46 N ATOM 862 CE2 TRP A 90 4.886 4.474 4.207 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.805 2.630 2.954 1.00 0.16 C ATOM 864 CZ2 TRP A 90 4.982 3.769 5.400 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.898 1.930 4.140 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.485 2.502 5.350 1.00 0.19 C ATOM 0 H TRP A 90 5.349 4.424 -1.956 1.00 0.19 H new ATOM 0 HA TRP A 90 3.786 3.346 0.112 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.138 4.088 0.346 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.645 5.754 0.112 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.236 6.922 2.142 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.061 6.384 4.664 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.124 2.181 2.025 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.669 4.209 6.335 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.295 0.926 4.135 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.566 1.929 6.262 1.00 0.19 H new ATOM 877 N LYS A 91 3.078 6.478 -0.716 1.00 0.24 N ATOM 878 CA LYS A 91 2.080 7.536 -0.569 1.00 0.30 C ATOM 879 C LYS A 91 0.727 7.124 -1.147 1.00 0.29 C ATOM 880 O LYS A 91 -0.302 7.701 -0.799 1.00 0.36 O ATOM 881 CB LYS A 91 2.565 8.820 -1.238 1.00 0.40 C ATOM 882 CG LYS A 91 3.823 9.389 -0.607 1.00 0.53 C ATOM 883 CD LYS A 91 4.249 10.686 -1.274 1.00 1.04 C ATOM 884 CE LYS A 91 5.501 11.255 -0.625 1.00 1.51 C ATOM 885 NZ LYS A 91 5.923 12.528 -1.262 1.00 2.40 N ATOM 0 H LYS A 91 3.864 6.721 -1.318 1.00 0.24 H new ATOM 0 HA LYS A 91 1.946 7.713 0.498 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.754 8.622 -2.293 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.773 9.568 -1.190 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.650 9.566 0.455 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.629 8.659 -0.681 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.434 10.509 -2.333 1.00 1.04 H new ATOM 0 HD3 LYS A 91 3.440 11.414 -1.209 1.00 1.04 H new ATOM 0 HE2 LYS A 91 5.316 11.423 0.436 1.00 1.51 H new ATOM 0 HE3 LYS A 91 6.310 10.528 -0.696 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 6.780 12.884 -0.792 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 6.124 12.362 -2.269 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 5.161 13.230 -1.172 1.00 2.40 H new ATOM 899 N LEU A 92 0.732 6.143 -2.039 1.00 0.27 N ATOM 900 CA LEU A 92 -0.508 5.619 -2.604 1.00 0.32 C ATOM 901 C LEU A 92 -1.108 4.541 -1.708 1.00 0.30 C ATOM 902 O LEU A 92 -2.270 4.626 -1.305 1.00 0.43 O ATOM 903 CB LEU A 92 -0.249 5.031 -3.988 1.00 0.40 C ATOM 904 CG LEU A 92 0.317 6.001 -5.017 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.699 5.244 -6.274 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.689 7.099 -5.329 1.00 1.08 C ATOM 0 H LEU A 92 1.578 5.693 -2.388 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.214 6.446 -2.680 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.442 4.194 -3.885 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.185 4.626 -4.373 1.00 0.40 H new ATOM 0 HG LEU A 92 1.209 6.475 -4.607 1.00 0.59 H new ATOM 0 HD11 LEU A 92 1.104 5.940 -7.009 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.451 4.493 -6.032 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.183 4.754 -6.686 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.266 7.782 -6.066 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.601 6.654 -5.728 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -0.922 7.649 -4.417 1.00 1.08 H new ATOM 918 N ALA A 93 -0.292 3.540 -1.400 1.00 0.22 N ATOM 919 CA ALA A 93 -0.741 2.361 -0.669 1.00 0.21 C ATOM 920 C ALA A 93 -1.058 2.686 0.783 1.00 0.19 C ATOM 921 O ALA A 93 -1.968 2.099 1.368 1.00 0.30 O ATOM 922 CB ALA A 93 0.309 1.264 -0.745 1.00 0.23 C ATOM 0 H ALA A 93 0.697 3.522 -1.649 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.661 2.011 -1.138 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -0.038 0.389 -0.195 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.478 0.994 -1.787 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.241 1.621 -0.307 1.00 0.23 H new ATOM 928 N ASP A 94 -0.308 3.618 1.363 1.00 0.18 N ATOM 929 CA ASP A 94 -0.531 3.997 2.759 1.00 0.18 C ATOM 930 C ASP A 94 -1.577 5.094 2.834 1.00 0.33 C ATOM 931 O ASP A 94 -1.269 6.282 2.727 1.00 0.45 O ATOM 932 CB ASP A 94 0.761 4.447 3.456 1.00 0.30 C ATOM 933 CG ASP A 94 0.548 4.784 4.928 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.323 4.149 5.580 1.00 0.30 O ATOM 935 OD2 ASP A 94 1.256 5.672 5.449 1.00 0.31 O ATOM 0 H ASP A 94 0.449 4.120 0.899 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.887 3.112 3.286 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.508 3.658 3.372 1.00 0.30 H new ATOM 0 HB3 ASP A 94 1.161 5.321 2.942 1.00 0.30 H new ATOM 940 N VAL A 95 -2.818 4.676 3.016 1.00 0.51 N ATOM 941 CA VAL A 95 -3.957 5.577 3.002 1.00 0.71 C ATOM 942 C VAL A 95 -4.031 6.410 4.262 1.00 0.72 C ATOM 943 O VAL A 95 -4.527 7.538 4.243 1.00 0.80 O ATOM 944 CB VAL A 95 -5.287 4.819 2.849 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.515 4.428 1.399 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.320 3.589 3.746 1.00 0.95 C ATOM 0 H VAL A 95 -3.064 3.700 3.178 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.807 6.228 2.141 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.093 5.485 3.158 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.460 3.893 1.311 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -5.547 5.325 0.781 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.701 3.785 1.063 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.271 3.071 3.619 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.503 2.920 3.476 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.210 3.894 4.787 1.00 0.95 H new ATOM 956 N ASP A 96 -3.544 5.852 5.355 1.00 0.70 N ATOM 957 CA ASP A 96 -3.598 6.544 6.632 1.00 0.78 C ATOM 958 C ASP A 96 -2.569 7.646 6.665 1.00 0.75 C ATOM 959 O ASP A 96 -2.719 8.628 7.399 1.00 0.88 O ATOM 960 CB ASP A 96 -3.264 5.618 7.786 1.00 0.96 C ATOM 961 CG ASP A 96 -3.704 4.193 7.596 1.00 0.75 C ATOM 962 OD1 ASP A 96 -4.914 3.918 7.677 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.804 3.341 7.380 1.00 1.12 O ATOM 0 H ASP A 96 -3.110 4.930 5.386 1.00 0.70 H new ATOM 0 HA ASP A 96 -4.613 6.928 6.736 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.186 5.633 7.945 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.726 6.009 8.693 1.00 0.96 H new ATOM 968 N LYS A 97 -1.525 7.462 5.860 1.00 0.66 N ATOM 969 CA LYS A 97 -0.350 8.322 5.891 1.00 0.70 C ATOM 970 C LYS A 97 0.269 8.247 7.282 1.00 0.70 C ATOM 971 O LYS A 97 0.878 9.198 7.773 1.00 0.86 O ATOM 972 CB LYS A 97 -0.726 9.758 5.519 1.00 0.86 C ATOM 973 CG LYS A 97 -1.745 9.815 4.394 1.00 0.89 C ATOM 974 CD LYS A 97 -1.713 11.136 3.652 1.00 1.15 C ATOM 975 CE LYS A 97 -2.685 11.130 2.482 1.00 1.38 C ATOM 976 NZ LYS A 97 -2.827 12.471 1.857 1.00 1.68 N ATOM 0 H LYS A 97 -1.472 6.713 5.170 1.00 0.66 H new ATOM 0 HA LYS A 97 0.382 7.984 5.157 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -1.128 10.265 6.396 1.00 0.86 H new ATOM 0 HB3 LYS A 97 0.171 10.300 5.221 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -1.554 9.003 3.693 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -2.743 9.655 4.803 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -1.966 11.947 4.335 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -0.703 11.329 3.289 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -2.342 10.417 1.732 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -3.661 10.787 2.826 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -3.499 12.416 1.065 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -3.179 13.148 2.564 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -1.902 12.789 1.504 1.00 1.68 H new ATOM 990 N ASP A 98 0.129 7.070 7.890 1.00 0.56 N ATOM 991 CA ASP A 98 0.503 6.864 9.278 1.00 0.59 C ATOM 992 C ASP A 98 1.915 6.311 9.385 1.00 0.45 C ATOM 993 O ASP A 98 2.357 5.924 10.466 1.00 0.46 O ATOM 994 CB ASP A 98 -0.504 5.922 9.978 1.00 0.67 C ATOM 995 CG ASP A 98 -0.566 4.494 9.416 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.471 4.302 8.175 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.771 3.553 10.213 1.00 0.71 O ATOM 0 H ASP A 98 -0.246 6.239 7.432 1.00 0.56 H new ATOM 0 HA ASP A 98 0.480 7.831 9.781 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.250 5.868 11.037 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.498 6.365 9.911 1.00 0.67 H new ATOM 1002 N GLY A 99 2.631 6.310 8.259 1.00 0.39 N ATOM 1003 CA GLY A 99 3.988 5.790 8.233 1.00 0.38 C ATOM 1004 C GLY A 99 4.019 4.315 8.562 1.00 0.29 C ATOM 1005 O GLY A 99 5.055 3.761 8.943 1.00 0.39 O ATOM 0 H GLY A 99 2.292 6.661 7.363 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.423 5.954 7.247 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.603 6.337 8.948 1.00 0.38 H new ATOM 1009 N LEU A 100 2.871 3.684 8.391 1.00 0.28 N ATOM 1010 CA LEU A 100 2.667 2.308 8.780 1.00 0.33 C ATOM 1011 C LEU A 100 1.808 1.600 7.752 1.00 0.29 C ATOM 1012 O LEU A 100 0.903 2.206 7.172 1.00 0.39 O ATOM 1013 CB LEU A 100 1.977 2.257 10.141 1.00 0.53 C ATOM 1014 CG LEU A 100 2.868 2.484 11.360 1.00 0.59 C ATOM 1015 CD1 LEU A 100 2.101 2.193 12.641 1.00 1.37 C ATOM 1016 CD2 LEU A 100 4.102 1.618 11.271 1.00 1.11 C ATOM 0 H LEU A 100 2.049 4.120 7.974 1.00 0.28 H new ATOM 0 HA LEU A 100 3.634 1.810 8.842 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.185 3.006 10.152 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.497 1.284 10.245 1.00 0.53 H new ATOM 0 HG LEU A 100 3.178 3.529 11.377 1.00 0.59 H new ATOM 0 HD11 LEU A 100 2.751 2.360 13.500 1.00 1.37 H new ATOM 0 HD12 LEU A 100 1.237 2.854 12.706 1.00 1.37 H new ATOM 0 HD13 LEU A 100 1.765 1.156 12.636 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.730 1.788 12.146 1.00 1.11 H new ATOM 0 HD22 LEU A 100 3.808 0.569 11.234 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.660 1.871 10.369 1.00 1.11 H new ATOM 1028 N LEU A 101 2.079 0.326 7.535 1.00 0.28 N ATOM 1029 CA LEU A 101 1.322 -0.448 6.568 1.00 0.27 C ATOM 1030 C LEU A 101 0.547 -1.564 7.247 1.00 0.27 C ATOM 1031 O LEU A 101 1.133 -2.446 7.885 1.00 0.31 O ATOM 1032 CB LEU A 101 2.244 -1.043 5.498 1.00 0.29 C ATOM 1033 CG LEU A 101 2.947 -0.028 4.595 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.747 -0.746 3.517 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.948 0.936 3.968 1.00 0.34 C ATOM 0 H LEU A 101 2.815 -0.193 8.013 1.00 0.28 H new ATOM 0 HA LEU A 101 0.616 0.231 6.090 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.003 -1.649 5.993 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.658 -1.716 4.872 1.00 0.29 H new ATOM 0 HG LEU A 101 3.632 0.556 5.210 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.242 -0.012 2.882 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.496 -1.385 3.985 1.00 0.34 H new ATOM 0 HD13 LEU A 101 3.076 -1.356 2.912 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.477 1.645 3.332 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.230 0.377 3.369 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.421 1.477 4.754 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.773 -1.508 7.133 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.617 -2.629 7.509 1.00 0.33 C ATOM 1049 C ASP A 102 -1.411 -3.741 6.503 1.00 0.26 C ATOM 1050 O ASP A 102 -0.726 -3.549 5.501 1.00 0.24 O ATOM 1051 CB ASP A 102 -3.098 -2.232 7.512 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.435 -1.208 8.570 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -3.090 -0.021 8.385 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -4.054 -1.583 9.584 1.00 1.39 O ATOM 0 H ASP A 102 -1.281 -0.696 6.782 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.346 -2.952 8.514 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.363 -1.834 6.532 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.706 -3.123 7.670 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.013 -4.889 6.745 1.00 0.32 N ATOM 1060 CA ASP A 103 -1.902 -6.005 5.816 1.00 0.35 C ATOM 1061 C ASP A 103 -2.530 -5.633 4.479 1.00 0.26 C ATOM 1062 O ASP A 103 -2.056 -6.046 3.423 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.538 -7.278 6.397 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.968 -7.092 6.871 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -4.242 -6.075 7.541 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.829 -7.929 6.535 1.00 1.17 O ATOM 0 H ASP A 103 -2.582 -5.077 7.571 1.00 0.32 H new ATOM 0 HA ASP A 103 -0.845 -6.219 5.654 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.516 -8.061 5.639 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -1.931 -7.626 7.233 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.566 -4.810 4.537 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.226 -4.307 3.340 1.00 0.25 C ATOM 1073 C GLU A 104 -3.301 -3.362 2.579 1.00 0.22 C ATOM 1074 O GLU A 104 -3.082 -3.519 1.376 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.506 -3.573 3.732 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.367 -4.363 4.697 1.00 0.32 C ATOM 1077 CD GLU A 104 -6.897 -5.648 4.085 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -6.183 -6.669 4.104 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.041 -5.640 3.587 1.00 1.38 O ATOM 0 H GLU A 104 -3.972 -4.473 5.410 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.473 -5.149 2.693 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.246 -2.616 4.185 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.083 -3.354 2.834 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -5.785 -4.601 5.587 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -7.205 -3.746 5.020 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.744 -2.390 3.298 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.861 -1.398 2.691 1.00 0.18 C ATOM 1088 C GLU A 105 -0.630 -2.067 2.094 1.00 0.17 C ATOM 1089 O GLU A 105 -0.223 -1.759 0.980 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.410 -0.359 3.718 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.548 0.317 4.456 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.091 1.550 5.206 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.373 1.425 6.223 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.434 2.665 4.793 1.00 0.39 O ATOM 0 H GLU A 105 -2.888 -2.269 4.300 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.426 -0.900 1.903 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.756 -0.842 4.444 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.816 0.402 3.212 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.326 0.594 3.745 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -2.994 -0.388 5.157 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.057 -2.996 2.845 1.00 0.17 N ATOM 1102 CA PHE A 106 1.157 -3.683 2.434 1.00 0.18 C ATOM 1103 C PHE A 106 0.886 -4.623 1.259 1.00 0.18 C ATOM 1104 O PHE A 106 1.773 -4.893 0.452 1.00 0.21 O ATOM 1105 CB PHE A 106 1.742 -4.454 3.623 1.00 0.21 C ATOM 1106 CG PHE A 106 3.050 -5.134 3.336 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.129 -4.420 2.831 1.00 0.25 C ATOM 1108 CD2 PHE A 106 3.204 -6.487 3.583 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.332 -5.048 2.575 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.405 -7.119 3.326 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.469 -6.400 2.821 1.00 0.29 C ATOM 0 H PHE A 106 -0.419 -3.293 3.751 1.00 0.17 H new ATOM 0 HA PHE A 106 1.882 -2.941 2.101 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.880 -3.764 4.456 1.00 0.21 H new ATOM 0 HB3 PHE A 106 1.019 -5.204 3.946 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.026 -3.363 2.636 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.376 -7.055 3.981 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.164 -4.483 2.183 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.511 -8.176 3.520 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.408 -6.894 2.618 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.358 -5.072 1.132 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.715 -6.012 0.082 1.00 0.24 C ATOM 1123 C ALA A 107 -0.882 -5.251 -1.208 1.00 0.23 C ATOM 1124 O ALA A 107 -0.469 -5.693 -2.283 1.00 0.25 O ATOM 1125 CB ALA A 107 -1.994 -6.755 0.436 1.00 0.34 C ATOM 0 H ALA A 107 -1.130 -4.801 1.740 1.00 0.19 H new ATOM 0 HA ALA A 107 0.076 -6.754 -0.029 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.242 -7.453 -0.363 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -1.850 -7.305 1.366 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -2.808 -6.040 0.560 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.482 -4.084 -1.077 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.612 -3.160 -2.178 1.00 0.28 C ATOM 1133 C LEU A 108 -0.238 -2.608 -2.565 1.00 0.23 C ATOM 1134 O LEU A 108 0.054 -2.414 -3.746 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.573 -2.035 -1.786 1.00 0.38 C ATOM 1136 CG LEU A 108 -2.607 -0.850 -2.740 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -3.070 -1.275 -4.130 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.498 0.253 -2.191 1.00 1.31 C ATOM 0 H LEU A 108 -1.892 -3.753 -0.203 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.020 -3.676 -3.047 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -3.579 -2.448 -1.709 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.300 -1.675 -0.794 1.00 0.38 H new ATOM 0 HG LEU A 108 -1.592 -0.462 -2.830 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -3.084 -0.407 -4.790 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -2.385 -2.023 -4.529 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.072 -1.699 -4.066 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -3.510 1.092 -2.887 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.512 -0.127 -2.064 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -3.112 0.586 -1.228 1.00 1.31 H new ATOM 1150 N ALA A 109 0.610 -2.389 -1.564 1.00 0.23 N ATOM 1151 CA ALA A 109 1.976 -1.926 -1.789 1.00 0.24 C ATOM 1152 C ALA A 109 2.750 -2.925 -2.634 1.00 0.23 C ATOM 1153 O ALA A 109 3.281 -2.574 -3.686 1.00 0.24 O ATOM 1154 CB ALA A 109 2.686 -1.702 -0.462 1.00 0.27 C ATOM 0 H ALA A 109 0.372 -2.526 -0.582 1.00 0.23 H new ATOM 0 HA ALA A 109 1.930 -0.979 -2.327 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.703 -1.357 -0.647 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.148 -0.951 0.116 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.716 -2.637 0.097 1.00 0.27 H new ATOM 1160 N ASN A 110 2.796 -4.176 -2.177 1.00 0.24 N ATOM 1161 CA ASN A 110 3.475 -5.243 -2.914 1.00 0.26 C ATOM 1162 C ASN A 110 2.858 -5.416 -4.293 1.00 0.25 C ATOM 1163 O ASN A 110 3.538 -5.792 -5.242 1.00 0.26 O ATOM 1164 CB ASN A 110 3.392 -6.578 -2.166 1.00 0.28 C ATOM 1165 CG ASN A 110 4.124 -6.592 -0.834 1.00 0.31 C ATOM 1166 OD1 ASN A 110 5.230 -5.873 -0.742 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 3.706 -7.271 0.102 1.00 0.55 N flip ATOM 0 H ASN A 110 2.371 -4.476 -1.300 1.00 0.24 H new ATOM 0 HA ASN A 110 4.521 -4.953 -3.010 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.343 -6.821 -1.994 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.801 -7.364 -2.801 1.00 0.28 H new ATOM 0 HD21 ASN A 110 2.849 -7.813 -0.004 1.00 0.55 H new ATOM 0 HD22 ASN A 110 4.216 -7.292 0.985 1.00 0.55 H new ATOM 1174 N HIS A 111 1.567 -5.136 -4.397 1.00 0.24 N ATOM 1175 CA HIS A 111 0.859 -5.276 -5.659 1.00 0.26 C ATOM 1176 C HIS A 111 1.330 -4.219 -6.659 1.00 0.24 C ATOM 1177 O HIS A 111 1.475 -4.504 -7.845 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.652 -5.176 -5.438 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.461 -5.704 -6.582 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -1.691 -7.051 -6.775 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.099 -5.066 -7.596 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.430 -7.220 -7.855 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.693 -6.034 -8.369 1.00 0.73 N ATOM 0 H HIS A 111 0.989 -4.811 -3.622 1.00 0.24 H new ATOM 0 HA HIS A 111 1.081 -6.260 -6.073 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -0.916 -5.724 -4.534 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -0.918 -4.133 -5.267 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -2.133 -4.000 -7.763 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -2.763 -8.168 -8.251 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.249 -5.863 -9.207 1.00 0.73 H new ATOM 1192 N LEU A 112 1.567 -3.004 -6.171 1.00 0.24 N ATOM 1193 CA LEU A 112 2.104 -1.929 -7.009 1.00 0.23 C ATOM 1194 C LEU A 112 3.571 -2.197 -7.340 1.00 0.24 C ATOM 1195 O LEU A 112 4.020 -1.992 -8.471 1.00 0.27 O ATOM 1196 CB LEU A 112 1.970 -0.571 -6.306 1.00 0.23 C ATOM 1197 CG LEU A 112 0.536 -0.095 -6.067 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.534 1.210 -5.289 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.203 0.066 -7.388 1.00 0.22 C ATOM 0 H LEU A 112 1.397 -2.737 -5.201 1.00 0.24 H new ATOM 0 HA LEU A 112 1.528 -1.901 -7.934 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.481 -0.626 -5.345 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.490 0.180 -6.901 1.00 0.23 H new ATOM 0 HG LEU A 112 0.016 -0.849 -5.476 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.494 1.535 -5.127 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.023 1.061 -4.327 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.071 1.972 -5.855 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.221 0.405 -7.196 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.314 0.800 -8.007 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.231 -0.892 -7.908 1.00 0.22 H new ATOM 1211 N ILE A 113 4.305 -2.673 -6.346 1.00 0.28 N ATOM 1212 CA ILE A 113 5.704 -3.030 -6.526 1.00 0.32 C ATOM 1213 C ILE A 113 5.855 -4.088 -7.612 1.00 0.35 C ATOM 1214 O ILE A 113 6.631 -3.926 -8.560 1.00 0.38 O ATOM 1215 CB ILE A 113 6.311 -3.556 -5.208 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.347 -2.441 -4.165 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.705 -4.122 -5.439 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.822 -2.894 -2.805 1.00 0.43 C ATOM 0 H ILE A 113 3.952 -2.822 -5.401 1.00 0.28 H new ATOM 0 HA ILE A 113 6.239 -2.130 -6.828 1.00 0.32 H new ATOM 0 HB ILE A 113 5.680 -4.363 -4.835 1.00 0.37 H new ATOM 0 HG12 ILE A 113 7.000 -1.644 -4.521 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.348 -2.015 -4.068 1.00 0.37 H new ATOM 0 HG21 ILE A 113 8.111 -4.486 -4.495 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.650 -4.945 -6.152 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.354 -3.341 -5.836 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.820 -2.047 -2.118 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.156 -3.669 -2.427 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.833 -3.293 -2.887 1.00 0.43 H new ATOM 1230 N LYS A 114 5.088 -5.163 -7.494 1.00 0.38 N ATOM 1231 CA LYS A 114 5.189 -6.245 -8.444 1.00 0.46 C ATOM 1232 C LYS A 114 4.518 -5.882 -9.763 1.00 0.45 C ATOM 1233 O LYS A 114 4.884 -6.419 -10.790 1.00 0.49 O ATOM 1234 CB LYS A 114 4.610 -7.545 -7.882 1.00 0.57 C ATOM 1235 CG LYS A 114 3.093 -7.616 -7.882 1.00 0.71 C ATOM 1236 CD LYS A 114 2.618 -8.974 -7.397 1.00 0.79 C ATOM 1237 CE LYS A 114 3.173 -10.093 -8.266 1.00 1.39 C ATOM 1238 NZ LYS A 114 2.560 -10.110 -9.625 1.00 1.81 N ATOM 0 H LYS A 114 4.398 -5.302 -6.756 1.00 0.38 H new ATOM 0 HA LYS A 114 6.249 -6.410 -8.635 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.999 -8.381 -8.463 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.966 -7.674 -6.860 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.688 -6.833 -7.241 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.716 -7.431 -8.888 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.930 -9.124 -6.363 1.00 0.79 H new ATOM 0 HD3 LYS A 114 1.529 -9.007 -7.409 1.00 0.79 H new ATOM 0 HE2 LYS A 114 4.253 -9.977 -8.358 1.00 1.39 H new ATOM 0 HE3 LYS A 114 2.996 -11.051 -7.778 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 3.241 -10.500 -10.308 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 1.704 -10.701 -9.613 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 2.307 -9.141 -9.904 1.00 1.81 H new ATOM 1252 N VAL A 115 3.558 -4.955 -9.757 1.00 0.43 N ATOM 1253 CA VAL A 115 2.934 -4.541 -11.011 1.00 0.46 C ATOM 1254 C VAL A 115 3.968 -3.820 -11.874 1.00 0.43 C ATOM 1255 O VAL A 115 3.964 -3.943 -13.099 1.00 0.48 O ATOM 1256 CB VAL A 115 1.667 -3.661 -10.813 1.00 0.50 C ATOM 1257 CG1 VAL A 115 2.007 -2.190 -10.636 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.706 -3.854 -11.976 1.00 0.76 C ATOM 0 H VAL A 115 3.204 -4.489 -8.922 1.00 0.43 H new ATOM 0 HA VAL A 115 2.588 -5.444 -11.515 1.00 0.46 H new ATOM 0 HB VAL A 115 1.184 -3.988 -9.892 1.00 0.50 H new ATOM 0 HG11 VAL A 115 1.089 -1.618 -10.501 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.643 -2.067 -9.760 1.00 0.91 H new ATOM 0 HG13 VAL A 115 2.533 -1.829 -11.520 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.177 -3.233 -11.825 1.00 0.76 H new ATOM 0 HG22 VAL A 115 1.198 -3.567 -12.906 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.408 -4.901 -12.032 1.00 0.76 H new ATOM 1268 N LYS A 116 4.874 -3.088 -11.222 1.00 0.40 N ATOM 1269 CA LYS A 116 6.026 -2.520 -11.904 1.00 0.41 C ATOM 1270 C LYS A 116 6.958 -3.634 -12.370 1.00 0.47 C ATOM 1271 O LYS A 116 7.448 -3.618 -13.497 1.00 0.54 O ATOM 1272 CB LYS A 116 6.786 -1.558 -10.984 1.00 0.39 C ATOM 1273 CG LYS A 116 6.034 -0.271 -10.680 1.00 0.88 C ATOM 1274 CD LYS A 116 5.679 0.477 -11.954 1.00 0.77 C ATOM 1275 CE LYS A 116 6.915 0.792 -12.784 1.00 0.85 C ATOM 1276 NZ LYS A 116 6.554 1.318 -14.125 1.00 1.06 N ATOM 0 H LYS A 116 4.828 -2.878 -10.225 1.00 0.40 H new ATOM 0 HA LYS A 116 5.669 -1.961 -12.769 1.00 0.41 H new ATOM 0 HB2 LYS A 116 7.008 -2.067 -10.046 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.741 -1.308 -11.445 1.00 0.39 H new ATOM 0 HG2 LYS A 116 5.124 -0.502 -10.126 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.644 0.366 -10.040 1.00 0.88 H new ATOM 0 HD2 LYS A 116 4.986 -0.121 -12.546 1.00 0.77 H new ATOM 0 HD3 LYS A 116 5.165 1.404 -11.701 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.530 1.523 -12.259 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.518 -0.109 -12.896 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 7.421 1.522 -14.663 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 5.988 0.610 -14.635 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 6.000 2.192 -14.018 1.00 1.06 H new ATOM 1290 N LEU A 117 7.179 -4.606 -11.491 1.00 0.47 N ATOM 1291 CA LEU A 117 8.046 -5.748 -11.785 1.00 0.57 C ATOM 1292 C LEU A 117 7.555 -6.540 -13.002 1.00 0.64 C ATOM 1293 O LEU A 117 8.358 -6.989 -13.819 1.00 0.75 O ATOM 1294 CB LEU A 117 8.129 -6.671 -10.565 1.00 0.59 C ATOM 1295 CG LEU A 117 9.035 -7.895 -10.727 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.486 -7.472 -10.884 1.00 1.48 C ATOM 1297 CD2 LEU A 117 8.883 -8.833 -9.538 1.00 1.59 C ATOM 0 H LEU A 117 6.766 -4.627 -10.559 1.00 0.47 H new ATOM 0 HA LEU A 117 9.036 -5.357 -12.019 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.482 -6.089 -9.714 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.124 -7.014 -10.321 1.00 0.59 H new ATOM 0 HG LEU A 117 8.732 -8.426 -11.629 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.113 -8.357 -10.998 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.587 -6.840 -11.766 1.00 1.48 H new ATOM 0 HD13 LEU A 117 10.800 -6.916 -10.001 1.00 1.48 H new ATOM 0 HD21 LEU A 117 9.534 -9.697 -9.671 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.158 -8.308 -8.623 1.00 1.59 H new ATOM 0 HD23 LEU A 117 7.848 -9.166 -9.468 1.00 1.59 H new ATOM 1309 N GLU A 118 6.240 -6.690 -13.126 1.00 0.61 N ATOM 1310 CA GLU A 118 5.653 -7.455 -14.223 1.00 0.69 C ATOM 1311 C GLU A 118 5.740 -6.676 -15.537 1.00 0.70 C ATOM 1312 O GLU A 118 5.395 -7.197 -16.598 1.00 0.85 O ATOM 1313 CB GLU A 118 4.184 -7.802 -13.938 1.00 0.70 C ATOM 1314 CG GLU A 118 3.922 -8.401 -12.560 1.00 0.80 C ATOM 1315 CD GLU A 118 4.570 -9.755 -12.342 1.00 1.36 C ATOM 1316 OE1 GLU A 118 5.803 -9.851 -12.524 1.00 2.05 O ATOM 1317 OE2 GLU A 118 3.857 -10.729 -12.034 1.00 1.71 O ATOM 0 H GLU A 118 5.559 -6.292 -12.480 1.00 0.61 H new ATOM 0 HA GLU A 118 6.223 -8.380 -14.312 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.585 -6.898 -14.045 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.838 -8.505 -14.696 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.285 -7.709 -11.800 1.00 0.80 H new ATOM 0 HG3 GLU A 118 2.846 -8.497 -12.416 1.00 0.80 H new ATOM 1324 N GLY A 119 6.174 -5.423 -15.462 1.00 0.60 N ATOM 1325 CA GLY A 119 6.351 -4.632 -16.664 1.00 0.62 C ATOM 1326 C GLY A 119 5.202 -3.672 -16.921 1.00 0.65 C ATOM 1327 O GLY A 119 4.976 -3.257 -18.058 1.00 0.68 O ATOM 0 H GLY A 119 6.406 -4.942 -14.593 1.00 0.60 H new ATOM 0 HA2 GLY A 119 7.279 -4.066 -16.586 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.457 -5.300 -17.519 1.00 0.62 H new ATOM 1331 N HIS A 120 4.475 -3.313 -15.868 1.00 0.70 N ATOM 1332 CA HIS A 120 3.363 -2.376 -15.995 1.00 0.78 C ATOM 1333 C HIS A 120 3.748 -1.019 -15.425 1.00 0.75 C ATOM 1334 O HIS A 120 4.821 -0.861 -14.833 1.00 0.92 O ATOM 1335 CB HIS A 120 2.105 -2.885 -15.276 1.00 0.80 C ATOM 1336 CG HIS A 120 1.552 -4.160 -15.831 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.795 -5.448 -15.499 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.619 -4.194 -16.842 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 1.008 -6.228 -16.309 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.311 -5.448 -17.110 1.00 1.10 N flip ATOM 0 H HIS A 120 4.634 -3.655 -14.920 1.00 0.70 H new ATOM 0 HA HIS A 120 3.139 -2.283 -17.058 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.338 -3.032 -14.221 1.00 0.80 H new ATOM 0 HB3 HIS A 120 1.335 -2.116 -15.328 1.00 0.80 H new ATOM 0 HD2 HIS A 120 0.204 -3.329 -17.338 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.967 -7.307 -16.292 1.00 1.16 H new ATOM 0 HE2 HIS A 120 -0.354 -5.761 -17.817 1.00 1.10 H new ATOM 1349 N GLU A 121 2.878 -0.042 -15.610 1.00 0.78 N ATOM 1350 CA GLU A 121 3.073 1.279 -15.035 1.00 0.84 C ATOM 1351 C GLU A 121 1.857 1.651 -14.202 1.00 0.84 C ATOM 1352 O GLU A 121 0.717 1.456 -14.634 1.00 0.98 O ATOM 1353 CB GLU A 121 3.302 2.323 -16.140 1.00 1.05 C ATOM 1354 CG GLU A 121 3.556 3.734 -15.621 1.00 1.71 C ATOM 1355 CD GLU A 121 4.823 3.843 -14.795 1.00 2.10 C ATOM 1356 OE1 GLU A 121 4.834 3.357 -13.644 1.00 2.69 O ATOM 1357 OE2 GLU A 121 5.821 4.395 -15.299 1.00 2.11 O ATOM 0 H GLU A 121 2.023 -0.139 -16.158 1.00 0.78 H new ATOM 0 HA GLU A 121 3.957 1.262 -14.397 1.00 0.84 H new ATOM 0 HB2 GLU A 121 4.152 2.013 -16.748 1.00 1.05 H new ATOM 0 HB3 GLU A 121 2.431 2.340 -16.795 1.00 1.05 H new ATOM 0 HG2 GLU A 121 3.620 4.420 -16.466 1.00 1.71 H new ATOM 0 HG3 GLU A 121 2.706 4.051 -15.016 1.00 1.71 H new ATOM 1364 N LEU A 122 2.093 2.175 -13.012 1.00 0.88 N ATOM 1365 CA LEU A 122 1.005 2.573 -12.137 1.00 0.89 C ATOM 1366 C LEU A 122 0.608 4.024 -12.412 1.00 0.96 C ATOM 1367 O LEU A 122 1.461 4.877 -12.663 1.00 1.08 O ATOM 1368 CB LEU A 122 1.363 2.333 -10.658 1.00 0.90 C ATOM 1369 CG LEU A 122 2.848 2.453 -10.283 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.330 3.890 -10.365 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.079 1.904 -8.887 1.00 0.74 C ATOM 0 H LEU A 122 3.025 2.334 -12.631 1.00 0.88 H new ATOM 0 HA LEU A 122 0.137 1.949 -12.350 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.800 3.042 -10.051 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.021 1.335 -10.382 1.00 0.90 H new ATOM 0 HG LEU A 122 3.422 1.867 -11.001 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.385 3.936 -10.093 1.00 1.21 H new ATOM 0 HD12 LEU A 122 3.201 4.259 -11.382 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.751 4.508 -9.679 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.135 1.994 -8.631 1.00 0.74 H new ATOM 0 HD22 LEU A 122 2.482 2.469 -8.171 1.00 0.74 H new ATOM 0 HD23 LEU A 122 2.786 0.855 -8.856 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.701 4.314 -12.381 1.00 1.00 N ATOM 1384 CA PRO A 123 -1.252 5.618 -12.787 1.00 1.15 C ATOM 1385 C PRO A 123 -1.007 6.728 -11.772 1.00 1.04 C ATOM 1386 O PRO A 123 -1.447 7.862 -11.971 1.00 1.16 O ATOM 1387 CB PRO A 123 -2.747 5.330 -12.899 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.983 4.256 -11.895 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.764 3.383 -11.952 1.00 1.01 C ATOM 0 HA PRO A 123 -0.784 5.982 -13.702 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -3.342 6.217 -12.682 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -3.017 5.004 -13.903 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -3.121 4.674 -10.898 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.884 3.689 -12.130 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.542 2.938 -10.982 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.889 2.562 -12.658 1.00 1.01 H new ATOM 1397 N ALA A 124 -0.318 6.391 -10.682 1.00 0.88 N ATOM 1398 CA ALA A 124 -0.059 7.333 -9.595 1.00 0.86 C ATOM 1399 C ALA A 124 -1.368 7.837 -8.988 1.00 0.82 C ATOM 1400 O ALA A 124 -1.412 8.891 -8.355 1.00 0.88 O ATOM 1401 CB ALA A 124 0.803 8.493 -10.078 1.00 1.06 C ATOM 0 H ALA A 124 0.074 5.462 -10.528 1.00 0.88 H new ATOM 0 HA ALA A 124 0.491 6.808 -8.814 1.00 0.86 H new ATOM 0 HB1 ALA A 124 0.983 9.181 -9.252 1.00 1.06 H new ATOM 0 HB2 ALA A 124 1.755 8.110 -10.445 1.00 1.06 H new ATOM 0 HB3 ALA A 124 0.288 9.018 -10.883 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.426 7.059 -9.166 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.731 7.401 -8.627 1.00 0.84 C ATOM 1409 C ASP A 125 -4.292 6.210 -7.889 1.00 0.83 C ATOM 1410 O ASP A 125 -3.726 5.118 -7.947 1.00 0.85 O ATOM 1411 CB ASP A 125 -4.703 7.801 -9.737 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.672 8.884 -9.299 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -6.572 8.593 -8.484 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -5.533 10.031 -9.774 1.00 1.76 O ATOM 0 H ASP A 125 -2.403 6.181 -9.684 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.610 8.248 -7.952 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -4.138 8.151 -10.601 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -5.265 6.923 -10.057 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.398 6.411 -7.204 1.00 0.84 N ATOM 1420 CA LEU A 126 -6.042 5.337 -6.485 1.00 0.85 C ATOM 1421 C LEU A 126 -7.502 5.210 -6.905 1.00 0.82 C ATOM 1422 O LEU A 126 -8.383 5.842 -6.323 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.918 5.586 -4.983 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.042 4.585 -4.224 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.566 3.172 -4.401 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -3.601 4.670 -4.691 1.00 1.62 C ATOM 0 H LEU A 126 -5.870 7.312 -7.131 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.549 4.395 -6.725 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -5.514 6.587 -4.829 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.916 5.575 -4.546 1.00 0.92 H new ATOM 0 HG LEU A 126 -5.079 4.840 -3.165 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -4.929 2.477 -3.854 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -6.584 3.111 -4.017 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -5.561 2.912 -5.460 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -2.997 3.951 -4.139 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -3.550 4.445 -5.756 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -3.220 5.676 -4.514 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.767 4.410 -7.945 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.126 4.126 -8.404 1.00 0.78 C ATOM 1440 C PRO A 127 -9.922 3.326 -7.369 1.00 0.79 C ATOM 1441 O PRO A 127 -9.338 2.626 -6.537 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.914 3.307 -9.684 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.542 2.743 -9.561 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.749 3.746 -8.774 1.00 0.81 C ATOM 0 HA PRO A 127 -9.704 5.035 -8.568 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.659 2.516 -9.774 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -9.005 3.933 -10.572 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.561 1.778 -9.055 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.098 2.579 -10.543 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -5.985 3.265 -8.164 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.237 4.454 -9.426 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.261 3.422 -7.419 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.162 2.774 -6.449 1.00 0.89 C ATOM 1454 C PRO A 128 -11.882 1.286 -6.226 1.00 0.92 C ATOM 1455 O PRO A 128 -12.043 0.787 -5.117 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.544 2.959 -7.081 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.419 4.197 -7.894 1.00 1.02 C ATOM 1458 CD PRO A 128 -12.014 4.195 -8.427 1.00 0.86 C ATOM 0 HA PRO A 128 -12.046 3.215 -5.459 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -13.815 2.104 -7.700 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.318 3.060 -6.320 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -14.146 4.207 -8.706 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -13.606 5.084 -7.288 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.959 3.730 -9.411 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -11.623 5.207 -8.530 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.453 0.574 -7.265 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.248 -0.874 -7.145 1.00 0.96 C ATOM 1468 C HIS A 129 -9.834 -1.214 -6.656 1.00 0.95 C ATOM 1469 O HIS A 129 -9.394 -2.364 -6.740 1.00 1.02 O ATOM 1470 CB HIS A 129 -11.561 -1.588 -8.473 1.00 1.02 C ATOM 1471 CG HIS A 129 -10.528 -1.435 -9.556 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -10.513 -0.388 -10.446 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -9.504 -2.242 -9.916 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -9.522 -0.552 -11.301 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -8.892 -1.677 -11.010 1.00 1.14 N ATOM 0 H HIS A 129 -11.243 0.963 -8.184 1.00 0.90 H new ATOM 0 HA HIS A 129 -11.946 -1.238 -6.391 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -11.693 -2.651 -8.270 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -12.513 -1.214 -8.849 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -9.218 -3.164 -9.431 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -9.267 0.122 -12.106 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -8.090 -2.060 -11.511 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.131 -0.214 -6.142 1.00 0.89 N ATOM 1485 CA LEU A 130 -7.795 -0.417 -5.588 1.00 0.92 C ATOM 1486 C LEU A 130 -7.676 0.197 -4.197 1.00 0.93 C ATOM 1487 O LEU A 130 -6.945 -0.313 -3.344 1.00 1.06 O ATOM 1488 CB LEU A 130 -6.722 0.181 -6.505 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.455 -0.594 -7.797 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.382 0.097 -8.623 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -6.040 -2.020 -7.481 1.00 1.34 C ATOM 0 H LEU A 130 -9.463 0.749 -6.096 1.00 0.89 H new ATOM 0 HA LEU A 130 -7.637 -1.493 -5.512 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.017 1.198 -6.766 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -5.789 0.253 -5.945 1.00 0.89 H new ATOM 0 HG LEU A 130 -7.376 -0.619 -8.380 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -5.206 -0.469 -9.538 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.711 1.105 -8.877 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -4.458 0.152 -8.047 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -5.853 -2.559 -8.410 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -5.132 -2.010 -6.879 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -6.837 -2.517 -6.927 1.00 1.34 H new ATOM 1760 N ASP B 149 7.279 9.659 4.773 1.00 0.45 N ATOM 1761 CA ASP B 149 7.674 8.357 4.265 1.00 0.42 C ATOM 1762 C ASP B 149 9.193 8.197 4.300 1.00 0.31 C ATOM 1763 O ASP B 149 9.936 9.182 4.301 1.00 0.30 O ATOM 1764 CB ASP B 149 7.163 8.182 2.832 1.00 0.70 C ATOM 1765 CG ASP B 149 7.778 9.183 1.878 1.00 0.53 C ATOM 1766 OD1 ASP B 149 7.227 10.297 1.750 1.00 1.25 O ATOM 1767 OD2 ASP B 149 8.815 8.858 1.264 1.00 0.42 O ATOM 0 HA ASP B 149 7.234 7.590 4.902 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.387 7.172 2.489 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.078 8.290 2.819 1.00 0.70 H new ATOM 1772 N PRO B 150 9.671 6.945 4.335 1.00 0.31 N ATOM 1773 CA PRO B 150 11.102 6.633 4.432 1.00 0.29 C ATOM 1774 C PRO B 150 11.883 6.950 3.155 1.00 0.29 C ATOM 1775 O PRO B 150 13.101 6.769 3.108 1.00 0.34 O ATOM 1776 CB PRO B 150 11.128 5.118 4.692 1.00 0.34 C ATOM 1777 CG PRO B 150 9.724 4.744 5.034 1.00 0.49 C ATOM 1778 CD PRO B 150 8.854 5.727 4.315 1.00 0.43 C ATOM 0 HA PRO B 150 11.577 7.233 5.208 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.475 4.575 3.812 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.809 4.872 5.507 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.504 3.724 4.720 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.558 4.789 6.110 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.631 5.404 3.298 1.00 0.43 H new ATOM 0 HD3 PRO B 150 7.899 5.870 4.821 1.00 0.43 H new ATOM 1786 N PHE B 151 11.197 7.413 2.121 1.00 0.31 N ATOM 1787 CA PHE B 151 11.833 7.613 0.829 1.00 0.39 C ATOM 1788 C PHE B 151 12.137 9.084 0.582 1.00 0.46 C ATOM 1789 O PHE B 151 13.010 9.419 -0.222 1.00 0.56 O ATOM 1790 CB PHE B 151 10.940 7.058 -0.277 1.00 0.44 C ATOM 1791 CG PHE B 151 10.464 5.664 0.012 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.291 4.579 -0.224 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.188 5.435 0.498 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.856 3.294 0.017 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.745 4.149 0.737 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.587 3.096 0.595 1.00 0.32 C ATOM 0 H PHE B 151 10.207 7.656 2.151 1.00 0.31 H new ATOM 0 HA PHE B 151 12.782 7.077 0.827 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.078 7.713 -0.406 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.489 7.063 -1.219 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.290 4.742 -0.602 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.532 6.271 0.692 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.480 2.449 -0.234 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.722 3.981 1.039 1.00 0.27 H new ATOM 0 HZ PHE B 151 9.287 2.112 0.923 1.00 0.32 H new ATOM 1806 N THR B 152 11.407 9.959 1.257 1.00 0.53 N ATOM 1807 CA THR B 152 11.669 11.384 1.177 1.00 0.65 C ATOM 1808 C THR B 152 11.240 12.096 2.458 1.00 1.20 C ATOM 1809 O THR B 152 10.063 12.123 2.814 1.00 1.89 O ATOM 1810 CB THR B 152 10.983 12.025 -0.056 1.00 0.95 C ATOM 1811 OG1 THR B 152 11.150 13.451 -0.039 1.00 1.59 O ATOM 1812 CG2 THR B 152 9.501 11.684 -0.121 1.00 0.98 C ATOM 0 H THR B 152 10.629 9.705 1.866 1.00 0.53 H new ATOM 0 HA THR B 152 12.746 11.506 1.060 1.00 0.65 H new ATOM 0 HB THR B 152 11.464 11.613 -0.943 1.00 0.95 H new ATOM 0 HG1 THR B 152 10.713 13.841 -0.825 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.058 12.153 -1.000 1.00 0.98 H new ATOM 0 HG22 THR B 152 9.379 10.603 -0.186 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.003 12.052 0.776 1.00 0.98 H new