USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -131:sc= 0.127 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.039 K(o=0.088,f=-2.4) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 140 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.89) USER MOD Single : A 144 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.81) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.89 USER MOD Single : A 152 SER OG : rot -96:sc= 1.26 USER MOD Single : A 154 MET CE :methyl -160:sc= -0.952 (180deg=-2.2!) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 LYS NZ :NH3+ -117:sc= -0.252 (180deg=-0.494) USER MOD Single : A 159 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.55) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 39:sc= -2.2 USER MOD Single : A 168 LYS NZ :NH3+ -112:sc= -0.707 (180deg=-1.02) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 180 THR OG1 : rot -52:sc= 1.28 USER MOD Single : A 185 MET CE :methyl -151:sc= -2.77 (180deg=-3.97!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 180:sc= -5.94! (180deg=-5.94!) USER MOD Single : A 190 THR OG1 : rot 41:sc= 0.825 USER MOD Single : A 192 MET CE :methyl -142:sc= -0.311 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.157 -1.147 -4.736 1.00 0.00 N ATOM 92 CA THR A 133 62.178 -0.788 -5.762 1.00 0.00 C ATOM 93 C THR A 133 61.449 -2.011 -6.290 1.00 0.00 C ATOM 94 O THR A 133 60.248 -1.964 -6.503 1.00 0.00 O ATOM 95 CB THR A 133 62.882 -0.062 -6.916 1.00 0.00 C ATOM 96 OG1 THR A 133 63.744 -0.969 -7.597 1.00 0.00 O ATOM 97 CG2 THR A 133 63.694 1.126 -6.370 1.00 0.00 C ATOM 0 HA THR A 133 61.439 -0.129 -5.307 1.00 0.00 H new ATOM 0 HB THR A 133 62.134 0.313 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.626 -0.558 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.191 1.637 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 133 63.025 1.821 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.442 0.762 -5.665 1.00 0.00 H new ATOM 105 N GLN A 134 62.164 -3.124 -6.430 1.00 0.00 N ATOM 106 CA GLN A 134 61.593 -4.323 -7.050 1.00 0.00 C ATOM 107 C GLN A 134 60.286 -4.747 -6.371 1.00 0.00 C ATOM 108 O GLN A 134 59.279 -4.971 -7.046 1.00 0.00 O ATOM 109 CB GLN A 134 62.599 -5.471 -6.990 1.00 0.00 C ATOM 110 CG GLN A 134 63.780 -5.166 -7.915 1.00 0.00 C ATOM 111 CD GLN A 134 64.820 -6.279 -7.823 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.014 -6.864 -6.757 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.505 -6.607 -8.884 1.00 0.00 N ATOM 0 H GLN A 134 63.133 -3.224 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 134 61.369 -4.082 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.951 -5.607 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.121 -6.404 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.431 -5.068 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.231 -4.213 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.343 -6.121 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.203 -7.349 -8.831 1.00 0.00 H new ATOM 122 N LEU A 135 60.281 -4.782 -5.039 1.00 0.00 N ATOM 123 CA LEU A 135 59.120 -5.289 -4.306 1.00 0.00 C ATOM 124 C LEU A 135 57.859 -4.479 -4.601 1.00 0.00 C ATOM 125 O LEU A 135 56.844 -5.039 -5.020 1.00 0.00 O ATOM 126 CB LEU A 135 59.397 -5.237 -2.809 1.00 0.00 C ATOM 127 CG LEU A 135 60.451 -6.278 -2.436 1.00 0.00 C ATOM 128 CD1 LEU A 135 60.904 -6.052 -0.986 1.00 0.00 C ATOM 129 CD2 LEU A 135 59.843 -7.677 -2.579 1.00 0.00 C ATOM 0 H LEU A 135 61.055 -4.471 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 135 58.951 -6.316 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.742 -4.242 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.478 -5.423 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 135 61.313 -6.186 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.656 -6.795 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.330 -5.053 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.048 -6.147 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.589 -8.427 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 135 58.984 -7.770 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.523 -7.831 -3.610 1.00 0.00 H new ATOM 141 N PHE A 136 57.922 -3.164 -4.380 1.00 0.00 N ATOM 142 CA PHE A 136 56.790 -2.296 -4.719 1.00 0.00 C ATOM 143 C PHE A 136 56.678 -1.955 -6.205 1.00 0.00 C ATOM 144 O PHE A 136 55.566 -1.786 -6.707 1.00 0.00 O ATOM 145 CB PHE A 136 56.679 -1.059 -3.810 1.00 0.00 C ATOM 146 CG PHE A 136 57.954 -0.517 -3.211 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.943 0.120 -3.994 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.117 -0.610 -1.810 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.098 0.653 -3.364 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.264 -0.081 -1.188 1.00 0.00 C ATOM 151 CZ PHE A 136 60.255 0.550 -1.963 1.00 0.00 C ATOM 0 H PHE A 136 58.726 -2.684 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 136 55.911 -2.906 -4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.212 -0.260 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.000 -1.302 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.821 0.201 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.356 -1.090 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.859 1.139 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.383 -0.159 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.136 0.956 -1.487 1.00 0.00 H new ATOM 161 N ALA A 137 57.790 -1.952 -6.935 1.00 0.00 N ATOM 162 CA ALA A 137 57.731 -1.688 -8.381 1.00 0.00 C ATOM 163 C ALA A 137 56.825 -2.713 -9.079 1.00 0.00 C ATOM 164 O ALA A 137 56.277 -2.445 -10.148 1.00 0.00 O ATOM 165 CB ALA A 137 59.130 -1.737 -8.998 1.00 0.00 C ATOM 0 H ALA A 137 58.725 -2.124 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 137 57.317 -0.690 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 137 59.063 -1.539 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.761 -0.983 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.564 -2.724 -8.838 1.00 0.00 H new ATOM 171 N ASP A 138 56.677 -3.889 -8.457 1.00 0.00 N ATOM 172 CA ASP A 138 55.656 -4.864 -8.863 1.00 0.00 C ATOM 173 C ASP A 138 54.257 -4.222 -8.819 1.00 0.00 C ATOM 174 O ASP A 138 54.015 -3.324 -8.011 1.00 0.00 O ATOM 175 CB ASP A 138 55.701 -6.057 -7.886 1.00 0.00 C ATOM 176 CG ASP A 138 55.282 -7.368 -8.560 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.150 -7.392 -9.770 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.098 -8.338 -7.843 1.00 0.00 O ATOM 0 H ASP A 138 57.252 -4.189 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 138 55.856 -5.197 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.710 -6.161 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.043 -5.858 -7.040 1.00 0.00 H new ATOM 183 N PRO A 139 53.347 -4.651 -9.666 1.00 0.00 N ATOM 184 CA PRO A 139 51.892 -4.350 -9.471 1.00 0.00 C ATOM 185 C PRO A 139 51.338 -4.995 -8.203 1.00 0.00 C ATOM 186 O PRO A 139 51.951 -5.903 -7.642 1.00 0.00 O ATOM 187 CB PRO A 139 51.202 -4.917 -10.724 1.00 0.00 C ATOM 188 CG PRO A 139 52.227 -5.759 -11.402 1.00 0.00 C ATOM 189 CD PRO A 139 53.576 -5.161 -11.026 1.00 0.00 C ATOM 0 HA PRO A 139 51.720 -3.281 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.326 -5.507 -10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.858 -4.116 -11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.156 -6.797 -11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 139 52.085 -5.753 -12.483 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.369 -5.909 -11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.869 -4.365 -11.711 1.00 0.00 H new ATOM 197 N ASN A 140 50.136 -4.553 -7.811 1.00 0.00 N ATOM 198 CA ASN A 140 49.559 -4.780 -6.464 1.00 0.00 C ATOM 199 C ASN A 140 50.530 -5.378 -5.432 1.00 0.00 C ATOM 200 O ASN A 140 50.519 -6.587 -5.190 1.00 0.00 O ATOM 201 CB ASN A 140 48.340 -5.707 -6.588 1.00 0.00 C ATOM 202 CG ASN A 140 47.358 -5.174 -7.630 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.262 -3.964 -7.836 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.636 -6.015 -8.318 1.00 0.00 N ATOM 0 H ASN A 140 49.521 -4.018 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 140 49.292 -3.792 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.666 -6.709 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.842 -5.792 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.990 -5.671 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.717 -7.017 -8.146 1.00 0.00 H new ATOM 211 N LEU A 141 51.386 -4.541 -4.848 1.00 0.00 N ATOM 212 CA LEU A 141 52.001 -4.889 -3.566 1.00 0.00 C ATOM 213 C LEU A 141 51.432 -4.020 -2.430 1.00 0.00 C ATOM 214 O LEU A 141 51.511 -4.399 -1.260 1.00 0.00 O ATOM 215 CB LEU A 141 53.520 -4.685 -3.655 1.00 0.00 C ATOM 216 CG LEU A 141 54.205 -5.245 -2.400 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.132 -6.781 -2.398 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.671 -4.794 -2.373 1.00 0.00 C ATOM 0 H LEU A 141 51.665 -3.637 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 141 51.778 -5.933 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.910 -5.182 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.746 -3.624 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 141 53.693 -4.868 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.621 -7.167 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.088 -7.096 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.635 -7.170 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.158 -5.191 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.182 -5.165 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.716 -3.705 -2.356 1.00 0.00 H new ATOM 230 N ILE A 142 50.742 -2.927 -2.781 1.00 0.00 N ATOM 231 CA ILE A 142 50.167 -2.049 -1.763 1.00 0.00 C ATOM 232 C ILE A 142 49.057 -2.757 -0.980 1.00 0.00 C ATOM 233 O ILE A 142 48.892 -2.498 0.211 1.00 0.00 O ATOM 234 CB ILE A 142 49.669 -0.725 -2.400 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.884 0.182 -2.690 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.712 0.015 -1.443 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.440 1.445 -3.449 1.00 0.00 C ATOM 0 H ILE A 142 50.572 -2.636 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 142 50.950 -1.798 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 142 49.136 -0.959 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.368 0.463 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.621 -0.364 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.375 0.941 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.851 -0.618 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.233 0.246 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.308 2.075 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 142 49.977 1.158 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.720 1.998 -2.846 1.00 0.00 H new ATOM 249 N GLU A 143 48.330 -3.683 -1.611 1.00 0.00 N ATOM 250 CA GLU A 143 47.162 -4.281 -0.954 1.00 0.00 C ATOM 251 C GLU A 143 47.577 -5.062 0.293 1.00 0.00 C ATOM 252 O GLU A 143 47.073 -4.824 1.393 1.00 0.00 O ATOM 253 CB GLU A 143 46.463 -5.235 -1.924 1.00 0.00 C ATOM 254 CG GLU A 143 45.786 -4.428 -3.031 1.00 0.00 C ATOM 255 CD GLU A 143 45.030 -5.359 -3.975 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.406 -6.288 -3.489 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.088 -5.129 -5.171 1.00 0.00 O ATOM 0 H GLU A 143 48.521 -4.029 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 143 46.487 -3.477 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.186 -5.928 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.724 -5.835 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.098 -3.704 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.533 -3.862 -3.588 1.00 0.00 H new ATOM 264 N ASN A 144 48.590 -5.912 0.139 1.00 0.00 N ATOM 265 CA ASN A 144 49.191 -6.606 1.281 1.00 0.00 C ATOM 266 C ASN A 144 49.636 -5.601 2.347 1.00 0.00 C ATOM 267 O ASN A 144 49.473 -5.831 3.546 1.00 0.00 O ATOM 268 CB ASN A 144 50.404 -7.410 0.800 1.00 0.00 C ATOM 269 CG ASN A 144 49.995 -8.388 -0.300 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.859 -8.866 -0.320 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.843 -8.675 -1.251 1.00 0.00 N ATOM 0 H ASN A 144 49.012 -6.138 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 144 48.450 -7.274 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.172 -6.733 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.841 -7.956 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.566 -9.295 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.783 -8.279 -1.233 1.00 0.00 H new ATOM 278 N LEU A 145 50.197 -4.492 1.882 1.00 0.00 N ATOM 279 CA LEU A 145 50.626 -3.418 2.771 1.00 0.00 C ATOM 280 C LEU A 145 49.453 -2.761 3.500 1.00 0.00 C ATOM 281 O LEU A 145 49.654 -2.105 4.518 1.00 0.00 O ATOM 282 CB LEU A 145 51.440 -2.377 2.000 1.00 0.00 C ATOM 283 CG LEU A 145 52.657 -3.057 1.360 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.440 -2.033 0.541 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.568 -3.646 2.448 1.00 0.00 C ATOM 0 H LEU A 145 50.366 -4.312 0.892 1.00 0.00 H new ATOM 0 HA LEU A 145 51.261 -3.867 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.823 -1.912 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.765 -1.582 2.672 1.00 0.00 H new ATOM 0 HG LEU A 145 52.313 -3.862 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.305 -2.516 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.799 -1.625 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.776 -1.226 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.428 -4.126 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.911 -2.848 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.012 -4.382 3.029 1.00 0.00 H new ATOM 297 N LYS A 146 48.258 -2.817 2.913 1.00 0.00 N ATOM 298 CA LYS A 146 47.075 -2.261 3.572 1.00 0.00 C ATOM 299 C LYS A 146 46.801 -2.960 4.911 1.00 0.00 C ATOM 300 O LYS A 146 46.584 -2.303 5.930 1.00 0.00 O ATOM 301 CB LYS A 146 45.838 -2.407 2.680 1.00 0.00 C ATOM 302 CG LYS A 146 46.000 -1.552 1.422 1.00 0.00 C ATOM 303 CD LYS A 146 44.722 -1.626 0.584 1.00 0.00 C ATOM 304 CE LYS A 146 43.614 -0.827 1.271 1.00 0.00 C ATOM 305 NZ LYS A 146 42.474 -0.643 0.327 1.00 0.00 N ATOM 0 H LYS A 146 48.083 -3.234 1.999 1.00 0.00 H new ATOM 0 HA LYS A 146 47.277 -1.205 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.699 -3.452 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.946 -2.100 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.207 -0.518 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.851 -1.903 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.906 -1.229 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.414 -2.664 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.277 -1.348 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.995 0.143 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.720 -0.100 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.801 -0.128 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.105 -1.573 0.043 1.00 0.00 H new ATOM 319 N LYS A 147 46.774 -4.298 4.893 1.00 0.00 N ATOM 320 CA LYS A 147 46.183 -5.038 6.017 1.00 0.00 C ATOM 321 C LYS A 147 47.128 -5.269 7.216 1.00 0.00 C ATOM 322 O LYS A 147 46.714 -5.050 8.357 1.00 0.00 O ATOM 323 CB LYS A 147 45.680 -6.392 5.517 1.00 0.00 C ATOM 324 CG LYS A 147 44.538 -6.178 4.523 1.00 0.00 C ATOM 325 CD LYS A 147 43.960 -7.533 4.106 1.00 0.00 C ATOM 326 CE LYS A 147 42.901 -7.325 3.023 1.00 0.00 C ATOM 327 NZ LYS A 147 41.991 -8.505 2.986 1.00 0.00 N ATOM 0 H LYS A 147 47.142 -4.877 4.138 1.00 0.00 H new ATOM 0 HA LYS A 147 45.374 -4.410 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.493 -6.940 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.337 -6.997 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.760 -5.563 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.901 -5.641 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.754 -8.180 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.520 -8.033 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 147 42.331 -6.419 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 147 43.379 -7.190 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.270 -8.365 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 42.541 -9.361 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.526 -8.614 3.910 1.00 0.00 H new ATOM 341 N ASN A 148 48.383 -5.695 6.983 1.00 0.00 N ATOM 342 CA ASN A 148 49.204 -6.164 8.124 1.00 0.00 C ATOM 343 C ASN A 148 50.294 -5.178 8.603 1.00 0.00 C ATOM 344 O ASN A 148 50.771 -5.313 9.732 1.00 0.00 O ATOM 345 CB ASN A 148 49.886 -7.479 7.712 1.00 0.00 C ATOM 346 CG ASN A 148 50.617 -8.107 8.898 1.00 0.00 C ATOM 347 OD1 ASN A 148 49.994 -8.735 9.755 1.00 0.00 O ATOM 348 ND2 ASN A 148 51.913 -7.973 8.993 1.00 0.00 N ATOM 0 H ASN A 148 48.836 -5.727 6.069 1.00 0.00 H new ATOM 0 HA ASN A 148 48.518 -6.278 8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.141 -8.176 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.592 -7.290 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.412 -8.389 9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.425 -7.452 8.281 1.00 0.00 H new ATOM 355 N PRO A 149 50.698 -4.213 7.810 1.00 0.00 N ATOM 356 CA PRO A 149 51.747 -3.248 8.244 1.00 0.00 C ATOM 357 C PRO A 149 51.205 -1.858 8.560 1.00 0.00 C ATOM 358 O PRO A 149 50.251 -1.392 7.936 1.00 0.00 O ATOM 359 CB PRO A 149 52.698 -3.200 7.054 1.00 0.00 C ATOM 360 CG PRO A 149 51.861 -3.513 5.859 1.00 0.00 C ATOM 361 CD PRO A 149 50.555 -4.155 6.351 1.00 0.00 C ATOM 0 HA PRO A 149 52.216 -3.566 9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.161 -2.218 6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.505 -3.924 7.168 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.650 -2.606 5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.391 -4.191 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.688 -3.562 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.417 -5.149 5.926 1.00 0.00 H new ATOM 369 N LYS A 150 51.874 -1.175 9.493 1.00 0.00 N ATOM 370 CA LYS A 150 51.551 0.225 9.804 1.00 0.00 C ATOM 371 C LYS A 150 51.673 1.112 8.553 1.00 0.00 C ATOM 372 O LYS A 150 51.093 2.195 8.495 1.00 0.00 O ATOM 373 CB LYS A 150 52.493 0.771 10.889 1.00 0.00 C ATOM 374 CG LYS A 150 52.578 -0.205 12.067 1.00 0.00 C ATOM 375 CD LYS A 150 53.311 0.463 13.233 1.00 0.00 C ATOM 376 CE LYS A 150 54.798 0.598 12.895 1.00 0.00 C ATOM 377 NZ LYS A 150 55.526 1.160 14.068 1.00 0.00 N ATOM 0 H LYS A 150 52.639 -1.564 10.045 1.00 0.00 H new ATOM 0 HA LYS A 150 50.522 0.248 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.486 0.931 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 150 52.134 1.740 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.577 -0.505 12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 150 53.103 -1.111 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.882 1.445 13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 150 53.186 -0.128 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 150 55.211 -0.375 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 150 54.927 1.247 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.536 1.252 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 55.138 2.096 14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 55.413 0.525 14.884 1.00 0.00 H new ATOM 391 N THR A 151 52.395 0.624 7.537 1.00 0.00 N ATOM 392 CA THR A 151 52.607 1.378 6.298 1.00 0.00 C ATOM 393 C THR A 151 51.266 1.740 5.625 1.00 0.00 C ATOM 394 O THR A 151 51.160 2.739 4.898 1.00 0.00 O ATOM 395 CB THR A 151 53.467 0.532 5.344 1.00 0.00 C ATOM 396 OG1 THR A 151 52.776 -0.666 5.026 1.00 0.00 O ATOM 397 CG2 THR A 151 54.801 0.186 6.018 1.00 0.00 C ATOM 0 H THR A 151 52.843 -0.292 7.550 1.00 0.00 H new ATOM 0 HA THR A 151 53.118 2.311 6.535 1.00 0.00 H new ATOM 0 HB THR A 151 53.660 1.099 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.379 -1.275 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.407 -0.413 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.333 1.105 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.612 -0.380 6.930 1.00 0.00 H new ATOM 405 N SER A 152 50.212 0.993 5.961 1.00 0.00 N ATOM 406 CA SER A 152 48.899 1.210 5.353 1.00 0.00 C ATOM 407 C SER A 152 48.338 2.599 5.657 1.00 0.00 C ATOM 408 O SER A 152 47.444 3.075 4.951 1.00 0.00 O ATOM 409 CB SER A 152 47.928 0.160 5.879 1.00 0.00 C ATOM 410 OG SER A 152 48.137 -0.015 7.274 1.00 0.00 O ATOM 0 H SER A 152 50.242 0.238 6.646 1.00 0.00 H new ATOM 0 HA SER A 152 49.019 1.130 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.901 0.471 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.077 -0.785 5.356 1.00 0.00 H new ATOM 0 HG SER A 152 48.733 -0.779 7.422 1.00 0.00 H new ATOM 416 N GLU A 153 48.890 3.276 6.668 1.00 0.00 N ATOM 417 CA GLU A 153 48.440 4.625 6.995 1.00 0.00 C ATOM 418 C GLU A 153 48.573 5.537 5.776 1.00 0.00 C ATOM 419 O GLU A 153 47.580 6.098 5.301 1.00 0.00 O ATOM 420 CB GLU A 153 49.264 5.182 8.157 1.00 0.00 C ATOM 421 CG GLU A 153 48.859 4.477 9.454 1.00 0.00 C ATOM 422 CD GLU A 153 49.449 5.202 10.662 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.581 5.648 10.573 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.757 5.300 11.662 1.00 0.00 O ATOM 0 H GLU A 153 49.636 2.917 7.263 1.00 0.00 H new ATOM 0 HA GLU A 153 47.391 4.584 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.327 5.034 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.103 6.256 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.772 4.447 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.206 3.444 9.437 1.00 0.00 H new ATOM 431 N MET A 154 49.752 5.512 5.149 1.00 0.00 N ATOM 432 CA MET A 154 50.019 6.423 4.041 1.00 0.00 C ATOM 433 C MET A 154 49.122 6.105 2.858 1.00 0.00 C ATOM 434 O MET A 154 48.857 6.979 2.031 1.00 0.00 O ATOM 435 CB MET A 154 51.467 6.332 3.573 1.00 0.00 C ATOM 436 CG MET A 154 52.408 6.754 4.698 1.00 0.00 C ATOM 437 SD MET A 154 54.099 6.889 4.056 1.00 0.00 S ATOM 438 CE MET A 154 54.247 5.206 3.399 1.00 0.00 C ATOM 0 H MET A 154 50.520 4.884 5.385 1.00 0.00 H new ATOM 0 HA MET A 154 49.821 7.430 4.409 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.694 5.312 3.262 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.617 6.971 2.703 1.00 0.00 H new ATOM 0 HG2 MET A 154 52.089 7.709 5.114 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.373 6.026 5.508 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.301 4.954 3.279 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.782 4.503 4.090 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.748 5.148 2.432 1.00 0.00 H new ATOM 448 N MET A 155 48.709 4.839 2.716 1.00 0.00 N ATOM 449 CA MET A 155 47.901 4.450 1.563 1.00 0.00 C ATOM 450 C MET A 155 46.508 5.079 1.620 1.00 0.00 C ATOM 451 O MET A 155 45.991 5.547 0.604 1.00 0.00 O ATOM 452 CB MET A 155 47.759 2.921 1.513 1.00 0.00 C ATOM 453 CG MET A 155 49.146 2.261 1.485 1.00 0.00 C ATOM 454 SD MET A 155 49.992 2.656 -0.069 1.00 0.00 S ATOM 455 CE MET A 155 51.670 2.260 0.480 1.00 0.00 C ATOM 0 H MET A 155 48.917 4.085 3.371 1.00 0.00 H new ATOM 0 HA MET A 155 48.409 4.808 0.667 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.199 2.572 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.191 2.630 0.629 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.740 2.609 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 155 49.046 1.181 1.589 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.371 2.434 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.935 2.893 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.717 1.213 0.781 1.00 0.00 H new ATOM 465 N LYS A 156 45.900 5.083 2.809 1.00 0.00 N ATOM 466 CA LYS A 156 44.478 5.405 2.926 1.00 0.00 C ATOM 467 C LYS A 156 44.227 6.910 3.060 1.00 0.00 C ATOM 468 O LYS A 156 43.104 7.371 2.844 1.00 0.00 O ATOM 469 CB LYS A 156 43.906 4.697 4.153 1.00 0.00 C ATOM 470 CG LYS A 156 43.795 3.196 3.873 1.00 0.00 C ATOM 471 CD LYS A 156 43.098 2.508 5.048 1.00 0.00 C ATOM 472 CE LYS A 156 43.036 1.001 4.795 1.00 0.00 C ATOM 473 NZ LYS A 156 44.412 0.430 4.856 1.00 0.00 N ATOM 0 H LYS A 156 46.363 4.870 3.692 1.00 0.00 H new ATOM 0 HA LYS A 156 43.989 5.068 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.547 4.870 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.925 5.105 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.234 3.027 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.787 2.769 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.638 2.710 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.092 2.908 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.399 0.522 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 156 42.591 0.803 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 44.664 0.032 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 45.088 1.179 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 44.445 -0.320 5.575 1.00 0.00 H new ATOM 487 N ASP A 157 45.266 7.673 3.413 1.00 0.00 N ATOM 488 CA ASP A 157 45.114 9.125 3.547 1.00 0.00 C ATOM 489 C ASP A 157 45.943 9.885 2.498 1.00 0.00 C ATOM 490 O ASP A 157 45.396 10.327 1.487 1.00 0.00 O ATOM 491 CB ASP A 157 45.486 9.562 4.974 1.00 0.00 C ATOM 492 CG ASP A 157 44.230 9.715 5.830 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.650 10.788 5.809 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.870 8.757 6.493 1.00 0.00 O ATOM 0 H ASP A 157 46.203 7.319 3.608 1.00 0.00 H new ATOM 0 HA ASP A 157 44.069 9.376 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 157 46.153 8.826 5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 157 46.029 10.507 4.942 1.00 0.00 H new ATOM 499 N PRO A 158 47.235 10.040 2.698 1.00 0.00 N ATOM 500 CA PRO A 158 48.025 11.089 1.976 1.00 0.00 C ATOM 501 C PRO A 158 48.102 10.880 0.461 1.00 0.00 C ATOM 502 O PRO A 158 48.090 9.752 -0.032 1.00 0.00 O ATOM 503 CB PRO A 158 49.421 11.008 2.606 1.00 0.00 C ATOM 504 CG PRO A 158 49.508 9.640 3.182 1.00 0.00 C ATOM 505 CD PRO A 158 48.094 9.288 3.631 1.00 0.00 C ATOM 0 HA PRO A 158 47.550 12.064 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 158 50.200 11.172 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.551 11.769 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.872 8.927 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 158 50.203 9.612 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.909 8.215 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.917 9.583 4.665 1.00 0.00 H new ATOM 513 N GLN A 159 48.340 11.984 -0.250 1.00 0.00 N ATOM 514 CA GLN A 159 48.567 11.952 -1.699 1.00 0.00 C ATOM 515 C GLN A 159 49.811 11.127 -2.060 1.00 0.00 C ATOM 516 O GLN A 159 49.966 10.689 -3.205 1.00 0.00 O ATOM 517 CB GLN A 159 48.729 13.375 -2.237 1.00 0.00 C ATOM 518 CG GLN A 159 47.354 14.026 -2.398 1.00 0.00 C ATOM 519 CD GLN A 159 46.594 13.374 -3.549 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.147 13.186 -4.632 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.351 13.014 -3.378 1.00 0.00 N ATOM 0 H GLN A 159 48.381 12.919 0.157 1.00 0.00 H new ATOM 0 HA GLN A 159 47.698 11.479 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.343 13.964 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.247 13.355 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.785 13.925 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.469 15.093 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.894 13.170 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.837 12.576 -4.143 1.00 0.00 H new ATOM 530 N LEU A 160 50.671 10.876 -1.068 1.00 0.00 N ATOM 531 CA LEU A 160 51.984 10.290 -1.329 1.00 0.00 C ATOM 532 C LEU A 160 51.850 8.957 -2.074 1.00 0.00 C ATOM 533 O LEU A 160 52.781 8.530 -2.752 1.00 0.00 O ATOM 534 CB LEU A 160 52.724 10.061 -0.009 1.00 0.00 C ATOM 535 CG LEU A 160 54.204 9.791 -0.287 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.879 11.074 -0.777 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.886 9.318 1.000 1.00 0.00 C ATOM 0 H LEU A 160 50.481 11.069 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 160 52.548 10.984 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.618 10.935 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.284 9.218 0.524 1.00 0.00 H new ATOM 0 HG LEU A 160 54.292 9.021 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.933 10.878 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.395 11.413 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.790 11.846 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.941 9.125 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.795 10.089 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.409 8.402 1.349 1.00 0.00 H new ATOM 549 N VAL A 161 50.681 8.307 -1.958 1.00 0.00 N ATOM 550 CA VAL A 161 50.432 7.039 -2.652 1.00 0.00 C ATOM 551 C VAL A 161 50.629 7.200 -4.159 1.00 0.00 C ATOM 552 O VAL A 161 51.468 6.533 -4.759 1.00 0.00 O ATOM 553 CB VAL A 161 48.994 6.560 -2.393 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.844 5.111 -2.865 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.664 6.634 -0.897 1.00 0.00 C ATOM 0 H VAL A 161 49.899 8.638 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 161 51.141 6.306 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 161 48.309 7.206 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.824 4.772 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 161 49.059 5.052 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.541 4.476 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.642 6.291 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.354 6.000 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.761 7.664 -0.554 1.00 0.00 H new ATOM 565 N ALA A 162 49.898 8.150 -4.751 1.00 0.00 N ATOM 566 CA ALA A 162 49.932 8.342 -6.202 1.00 0.00 C ATOM 567 C ALA A 162 51.358 8.645 -6.648 1.00 0.00 C ATOM 568 O ALA A 162 51.928 7.943 -7.489 1.00 0.00 O ATOM 569 CB ALA A 162 49.024 9.513 -6.586 1.00 0.00 C ATOM 0 H ALA A 162 49.282 8.792 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 162 49.584 7.432 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.050 9.655 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.002 9.299 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.372 10.420 -6.092 1.00 0.00 H new ATOM 575 N LYS A 163 51.981 9.578 -5.927 1.00 0.00 N ATOM 576 CA LYS A 163 53.351 9.990 -6.231 1.00 0.00 C ATOM 577 C LYS A 163 54.278 8.772 -6.259 1.00 0.00 C ATOM 578 O LYS A 163 54.881 8.464 -7.290 1.00 0.00 O ATOM 579 CB LYS A 163 53.846 10.984 -5.176 1.00 0.00 C ATOM 580 CG LYS A 163 52.961 12.235 -5.188 1.00 0.00 C ATOM 581 CD LYS A 163 53.209 13.029 -6.472 1.00 0.00 C ATOM 582 CE LYS A 163 52.453 14.357 -6.406 1.00 0.00 C ATOM 583 NZ LYS A 163 53.022 15.305 -7.405 1.00 0.00 N ATOM 0 H LYS A 163 51.561 10.060 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 163 53.360 10.468 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.825 10.522 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.882 11.258 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.911 11.950 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.178 12.855 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.276 13.212 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.880 12.454 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.394 14.195 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.527 14.780 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.507 16.208 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 54.027 15.469 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.929 14.901 -8.359 1.00 0.00 H new ATOM 597 N LEU A 164 54.214 7.972 -5.195 1.00 0.00 N ATOM 598 CA LEU A 164 55.073 6.799 -5.059 1.00 0.00 C ATOM 599 C LEU A 164 54.851 5.809 -6.201 1.00 0.00 C ATOM 600 O LEU A 164 55.803 5.263 -6.740 1.00 0.00 O ATOM 601 CB LEU A 164 54.785 6.104 -3.726 1.00 0.00 C ATOM 602 CG LEU A 164 55.339 6.946 -2.574 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.837 6.382 -1.244 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.870 6.900 -2.596 1.00 0.00 C ATOM 0 H LEU A 164 53.574 8.116 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 164 56.109 7.135 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.711 5.964 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.239 5.113 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 164 55.003 7.977 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.231 6.981 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.748 6.411 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.174 5.351 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.264 7.500 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.205 5.869 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.232 7.299 -3.543 1.00 0.00 H new ATOM 616 N ILE A 165 53.593 5.636 -6.610 1.00 0.00 N ATOM 617 CA ILE A 165 53.243 4.580 -7.564 1.00 0.00 C ATOM 618 C ILE A 165 53.990 4.784 -8.886 1.00 0.00 C ATOM 619 O ILE A 165 54.520 3.826 -9.460 1.00 0.00 O ATOM 620 CB ILE A 165 51.715 4.541 -7.768 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.079 3.967 -6.494 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.348 3.640 -8.960 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.556 4.129 -6.527 1.00 0.00 C ATOM 0 H ILE A 165 52.806 6.206 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 165 53.551 3.615 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 165 51.350 5.548 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.335 2.912 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.485 4.475 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.265 3.627 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.814 4.027 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.704 2.627 -8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.126 3.715 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.304 5.187 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.152 3.600 -7.390 1.00 0.00 H new ATOM 635 N GLY A 166 54.130 6.038 -9.310 1.00 0.00 N ATOM 636 CA GLY A 166 54.925 6.333 -10.497 1.00 0.00 C ATOM 637 C GLY A 166 56.400 6.112 -10.182 1.00 0.00 C ATOM 638 O GLY A 166 57.117 5.408 -10.899 1.00 0.00 O ATOM 0 H GLY A 166 53.712 6.851 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.618 5.692 -11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.759 7.363 -10.813 1.00 0.00 H new ATOM 642 N TYR A 167 56.824 6.714 -9.075 1.00 0.00 N ATOM 643 CA TYR A 167 58.180 6.550 -8.554 1.00 0.00 C ATOM 644 C TYR A 167 58.496 5.088 -8.198 1.00 0.00 C ATOM 645 O TYR A 167 59.653 4.737 -7.979 1.00 0.00 O ATOM 646 CB TYR A 167 58.316 7.466 -7.328 1.00 0.00 C ATOM 647 CG TYR A 167 59.678 7.541 -6.695 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.742 8.182 -7.373 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.871 7.037 -5.386 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.003 8.310 -6.748 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.131 7.158 -4.760 1.00 0.00 C ATOM 652 CZ TYR A 167 62.202 7.797 -5.443 1.00 0.00 C ATOM 653 OH TYR A 167 63.437 7.923 -4.837 1.00 0.00 O ATOM 0 H TYR A 167 56.238 7.330 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 167 58.903 6.827 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.019 8.473 -7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.606 7.131 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.590 8.573 -8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.054 6.560 -4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.815 8.799 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.281 6.766 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 167 63.818 8.800 -5.051 1.00 0.00 H new ATOM 663 N LYS A 168 57.458 4.264 -8.059 1.00 0.00 N ATOM 664 CA LYS A 168 57.644 2.830 -7.820 1.00 0.00 C ATOM 665 C LYS A 168 58.027 2.082 -9.099 1.00 0.00 C ATOM 666 O LYS A 168 58.946 1.259 -9.093 1.00 0.00 O ATOM 667 CB LYS A 168 56.355 2.240 -7.245 1.00 0.00 C ATOM 668 CG LYS A 168 56.299 2.508 -5.730 1.00 0.00 C ATOM 669 CD LYS A 168 54.911 2.165 -5.150 1.00 0.00 C ATOM 670 CE LYS A 168 54.381 0.839 -5.708 1.00 0.00 C ATOM 671 NZ LYS A 168 53.593 0.132 -4.658 1.00 0.00 N ATOM 0 H LYS A 168 56.483 4.561 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 168 58.463 2.712 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.489 2.684 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.316 1.168 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.063 1.916 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.528 3.556 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.974 2.104 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.210 2.966 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.757 1.025 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.211 0.214 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.099 -0.728 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.469 0.758 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.661 -0.127 -5.039 1.00 0.00 H new ATOM 685 N GLN A 169 57.324 2.376 -10.191 1.00 0.00 N ATOM 686 CA GLN A 169 57.416 1.545 -11.393 1.00 0.00 C ATOM 687 C GLN A 169 58.744 1.742 -12.138 1.00 0.00 C ATOM 688 O GLN A 169 59.421 0.769 -12.474 1.00 0.00 O ATOM 689 CB GLN A 169 56.256 1.873 -12.336 1.00 0.00 C ATOM 690 CG GLN A 169 54.940 1.421 -11.701 1.00 0.00 C ATOM 691 CD GLN A 169 53.785 1.675 -12.663 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.564 0.895 -13.590 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.028 2.726 -12.498 1.00 0.00 N ATOM 0 H GLN A 169 56.692 3.172 -10.270 1.00 0.00 H new ATOM 0 HA GLN A 169 57.365 0.504 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.227 2.944 -12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.400 1.374 -13.294 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.991 0.361 -11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.773 1.959 -10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.212 3.371 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.253 2.902 -13.137 1.00 0.00 H new ATOM 702 N ASN A 170 59.110 3.002 -12.388 1.00 0.00 N ATOM 703 CA ASN A 170 60.224 3.295 -13.310 1.00 0.00 C ATOM 704 C ASN A 170 61.567 3.584 -12.606 1.00 0.00 C ATOM 705 O ASN A 170 62.612 3.135 -13.082 1.00 0.00 O ATOM 706 CB ASN A 170 59.854 4.496 -14.180 1.00 0.00 C ATOM 707 CG ASN A 170 60.702 4.504 -15.447 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.262 4.030 -16.493 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.903 5.017 -15.414 1.00 0.00 N ATOM 0 H ASN A 170 58.666 3.824 -11.978 1.00 0.00 H new ATOM 0 HA ASN A 170 60.372 2.394 -13.905 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.796 4.454 -14.441 1.00 0.00 H new ATOM 0 HB3 ASN A 170 60.009 5.420 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 170 62.478 5.025 -16.257 1.00 0.00 H new ATOM 0 HD22 ASN A 170 62.266 5.410 -14.545 1.00 0.00 H new ATOM 716 N PRO A 171 61.576 4.297 -11.499 1.00 0.00 N ATOM 717 CA PRO A 171 62.831 4.895 -10.958 1.00 0.00 C ATOM 718 C PRO A 171 63.447 4.123 -9.791 1.00 0.00 C ATOM 719 O PRO A 171 63.081 4.325 -8.633 1.00 0.00 O ATOM 720 CB PRO A 171 62.419 6.297 -10.538 1.00 0.00 C ATOM 721 CG PRO A 171 60.981 6.195 -10.179 1.00 0.00 C ATOM 722 CD PRO A 171 60.418 4.926 -10.841 1.00 0.00 C ATOM 0 HA PRO A 171 63.619 4.877 -11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.012 6.644 -9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.572 7.011 -11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.860 6.147 -9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.439 7.077 -10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.973 4.259 -10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.638 5.169 -11.562 1.00 0.00 H new ATOM 730 N GLN A 172 64.435 3.275 -10.098 1.00 0.00 N ATOM 731 CA GLN A 172 65.225 2.580 -9.059 1.00 0.00 C ATOM 732 C GLN A 172 65.708 3.526 -7.930 1.00 0.00 C ATOM 733 O GLN A 172 66.093 3.068 -6.850 1.00 0.00 O ATOM 734 CB GLN A 172 66.440 1.901 -9.700 1.00 0.00 C ATOM 735 CG GLN A 172 65.970 0.856 -10.717 1.00 0.00 C ATOM 736 CD GLN A 172 65.330 -0.326 -9.995 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.902 -0.857 -9.044 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.170 -0.772 -10.395 1.00 0.00 N ATOM 0 H GLN A 172 64.711 3.050 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 172 64.564 1.842 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.067 2.645 -10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.051 1.426 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.253 1.304 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.814 0.513 -11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.698 -0.330 -11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.736 -1.563 -9.919 1.00 0.00 H new ATOM 747 N ALA A 173 65.609 4.842 -8.155 1.00 0.00 N ATOM 748 CA ALA A 173 66.109 5.835 -7.207 1.00 0.00 C ATOM 749 C ALA A 173 65.442 5.722 -5.823 1.00 0.00 C ATOM 750 O ALA A 173 65.894 6.362 -4.874 1.00 0.00 O ATOM 751 CB ALA A 173 65.834 7.232 -7.765 1.00 0.00 C ATOM 0 H ALA A 173 65.184 5.242 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 173 67.176 5.656 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.203 7.982 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.342 7.348 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.761 7.363 -7.905 1.00 0.00 H new ATOM 757 N ILE A 174 64.402 4.879 -5.686 1.00 0.00 N ATOM 758 CA ILE A 174 63.618 4.839 -4.444 1.00 0.00 C ATOM 759 C ILE A 174 64.511 4.534 -3.241 1.00 0.00 C ATOM 760 O ILE A 174 64.241 4.995 -2.132 1.00 0.00 O ATOM 761 CB ILE A 174 62.503 3.783 -4.536 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.684 4.027 -5.826 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.597 3.899 -3.294 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.419 3.163 -5.865 1.00 0.00 C ATOM 0 H ILE A 174 64.091 4.228 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 174 63.168 5.822 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 174 62.930 2.781 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.408 5.080 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.302 3.807 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.804 3.154 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.189 3.730 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.157 4.895 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.870 3.362 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.697 2.110 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.789 3.402 -5.008 1.00 0.00 H new ATOM 776 N GLY A 175 65.588 3.778 -3.471 1.00 0.00 N ATOM 777 CA GLY A 175 66.453 3.335 -2.378 1.00 0.00 C ATOM 778 C GLY A 175 66.982 4.514 -1.557 1.00 0.00 C ATOM 779 O GLY A 175 67.282 4.367 -0.370 1.00 0.00 O ATOM 0 H GLY A 175 65.879 3.463 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 175 65.899 2.659 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.292 2.770 -2.785 1.00 0.00 H new ATOM 783 N GLN A 176 67.096 5.681 -2.195 1.00 0.00 N ATOM 784 CA GLN A 176 67.601 6.871 -1.520 1.00 0.00 C ATOM 785 C GLN A 176 66.479 7.628 -0.812 1.00 0.00 C ATOM 786 O GLN A 176 66.717 8.312 0.185 1.00 0.00 O ATOM 787 CB GLN A 176 68.275 7.795 -2.536 1.00 0.00 C ATOM 788 CG GLN A 176 69.478 7.081 -3.156 1.00 0.00 C ATOM 789 CD GLN A 176 70.147 7.981 -4.190 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.470 8.732 -4.894 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.444 7.951 -4.325 1.00 0.00 N ATOM 0 H GLN A 176 66.846 5.824 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 176 68.324 6.551 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.565 8.077 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.596 8.716 -2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.193 6.814 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.156 6.151 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.003 7.329 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 176 71.899 8.550 -5.014 1.00 0.00 H new ATOM 800 N ASP A 177 65.258 7.503 -1.336 1.00 0.00 N ATOM 801 CA ASP A 177 64.129 8.235 -0.783 1.00 0.00 C ATOM 802 C ASP A 177 63.601 7.558 0.481 1.00 0.00 C ATOM 803 O ASP A 177 62.908 8.197 1.274 1.00 0.00 O ATOM 804 CB ASP A 177 63.006 8.392 -1.820 1.00 0.00 C ATOM 805 CG ASP A 177 63.186 9.682 -2.634 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.028 10.492 -2.272 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.457 9.856 -3.595 1.00 0.00 O ATOM 0 H ASP A 177 65.032 6.908 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 177 64.483 9.230 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.002 7.532 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.040 8.408 -1.316 1.00 0.00 H new ATOM 812 N LEU A 178 63.920 6.269 0.680 1.00 0.00 N ATOM 813 CA LEU A 178 63.576 5.598 1.941 1.00 0.00 C ATOM 814 C LEU A 178 64.131 6.412 3.121 1.00 0.00 C ATOM 815 O LEU A 178 63.458 6.624 4.129 1.00 0.00 O ATOM 816 CB LEU A 178 64.193 4.187 2.004 1.00 0.00 C ATOM 817 CG LEU A 178 63.923 3.356 0.738 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.783 2.094 0.797 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.451 2.935 0.678 1.00 0.00 C ATOM 0 H LEU A 178 64.405 5.683 0.000 1.00 0.00 H new ATOM 0 HA LEU A 178 62.490 5.521 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.269 4.273 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.793 3.660 2.870 1.00 0.00 H new ATOM 0 HG LEU A 178 64.161 3.955 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.605 1.491 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.836 2.373 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.522 1.517 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.277 2.348 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.208 2.334 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.819 3.823 0.660 1.00 0.00 H new ATOM 831 N PHE A 179 65.378 6.860 2.956 1.00 0.00 N ATOM 832 CA PHE A 179 66.038 7.727 3.933 1.00 0.00 C ATOM 833 C PHE A 179 65.181 8.957 4.269 1.00 0.00 C ATOM 834 O PHE A 179 65.200 9.444 5.401 1.00 0.00 O ATOM 835 CB PHE A 179 67.387 8.181 3.379 1.00 0.00 C ATOM 836 CG PHE A 179 68.395 7.063 3.259 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.216 6.726 4.363 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.520 6.350 2.042 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.161 5.677 4.251 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.464 5.301 1.929 1.00 0.00 C ATOM 841 CZ PHE A 179 70.284 4.964 3.033 1.00 0.00 C ATOM 0 H PHE A 179 65.955 6.633 2.146 1.00 0.00 H new ATOM 0 HA PHE A 179 66.180 7.156 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.235 8.630 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 179 67.794 8.958 4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.121 7.270 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 179 67.895 6.607 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.787 5.421 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.559 4.758 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.003 4.163 2.947 1.00 0.00 H new ATOM 851 N THR A 180 64.436 9.448 3.278 1.00 0.00 N ATOM 852 CA THR A 180 63.562 10.610 3.486 1.00 0.00 C ATOM 853 C THR A 180 62.162 10.175 3.937 1.00 0.00 C ATOM 854 O THR A 180 61.469 10.920 4.633 1.00 0.00 O ATOM 855 CB THR A 180 63.452 11.447 2.203 1.00 0.00 C ATOM 856 OG1 THR A 180 62.687 10.740 1.236 1.00 0.00 O ATOM 857 CG2 THR A 180 64.850 11.739 1.646 1.00 0.00 C ATOM 0 H THR A 180 64.417 9.066 2.332 1.00 0.00 H new ATOM 0 HA THR A 180 64.010 11.219 4.271 1.00 0.00 H new ATOM 0 HB THR A 180 62.958 12.391 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.055 9.839 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 180 64.762 12.333 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 180 65.428 12.292 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.355 10.800 1.419 1.00 0.00 H new ATOM 865 N ASP A 181 61.754 8.967 3.536 1.00 0.00 N ATOM 866 CA ASP A 181 60.437 8.446 3.906 1.00 0.00 C ATOM 867 C ASP A 181 60.574 7.322 4.941 1.00 0.00 C ATOM 868 O ASP A 181 60.983 6.213 4.594 1.00 0.00 O ATOM 869 CB ASP A 181 59.709 7.914 2.667 1.00 0.00 C ATOM 870 CG ASP A 181 58.191 8.061 2.825 1.00 0.00 C ATOM 871 OD1 ASP A 181 57.745 8.378 3.917 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.494 7.856 1.844 1.00 0.00 O ATOM 0 H ASP A 181 62.312 8.337 2.960 1.00 0.00 H new ATOM 0 HA ASP A 181 59.859 9.261 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.042 8.457 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 181 59.964 6.866 2.512 1.00 0.00 H new ATOM 877 N PRO A 182 60.237 7.575 6.192 1.00 0.00 N ATOM 878 CA PRO A 182 60.397 6.546 7.271 1.00 0.00 C ATOM 879 C PRO A 182 59.592 5.274 6.994 1.00 0.00 C ATOM 880 O PRO A 182 60.130 4.167 7.063 1.00 0.00 O ATOM 881 CB PRO A 182 59.890 7.242 8.542 1.00 0.00 C ATOM 882 CG PRO A 182 59.942 8.702 8.249 1.00 0.00 C ATOM 883 CD PRO A 182 59.724 8.844 6.747 1.00 0.00 C ATOM 0 HA PRO A 182 61.432 6.214 7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.875 6.927 8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.513 6.992 9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 182 59.174 9.238 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 182 60.903 9.124 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.670 8.987 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.262 9.702 6.345 1.00 0.00 H new ATOM 891 N ARG A 183 58.307 5.440 6.680 1.00 0.00 N ATOM 892 CA ARG A 183 57.405 4.290 6.550 1.00 0.00 C ATOM 893 C ARG A 183 57.811 3.380 5.392 1.00 0.00 C ATOM 894 O ARG A 183 57.691 2.162 5.502 1.00 0.00 O ATOM 895 CB ARG A 183 55.957 4.747 6.355 1.00 0.00 C ATOM 896 CG ARG A 183 55.537 5.635 7.530 1.00 0.00 C ATOM 897 CD ARG A 183 54.063 6.017 7.378 1.00 0.00 C ATOM 898 NE ARG A 183 53.455 6.256 8.688 1.00 0.00 N ATOM 899 CZ ARG A 183 53.733 7.342 9.424 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.594 8.243 9.016 1.00 0.00 N ATOM 901 NH2 ARG A 183 53.128 7.505 10.568 1.00 0.00 N ATOM 0 H ARG A 183 57.869 6.346 6.512 1.00 0.00 H new ATOM 0 HA ARG A 183 57.481 3.723 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.861 5.296 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.298 3.882 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.692 5.108 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 183 56.155 6.532 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.975 6.912 6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.527 5.221 6.862 1.00 0.00 H new ATOM 0 HE ARG A 183 52.795 5.570 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 183 55.069 8.126 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.789 9.061 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.454 6.811 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.329 8.326 11.139 1.00 0.00 H new ATOM 915 N LEU A 184 58.348 3.958 4.310 1.00 0.00 N ATOM 916 CA LEU A 184 58.739 3.163 3.130 1.00 0.00 C ATOM 917 C LEU A 184 59.635 1.987 3.542 1.00 0.00 C ATOM 918 O LEU A 184 59.529 0.887 2.998 1.00 0.00 O ATOM 919 CB LEU A 184 59.490 4.039 2.117 1.00 0.00 C ATOM 920 CG LEU A 184 58.503 4.733 1.168 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.246 5.789 0.333 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.877 3.696 0.225 1.00 0.00 C ATOM 0 H LEU A 184 58.522 4.959 4.223 1.00 0.00 H new ATOM 0 HA LEU A 184 57.829 2.777 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 184 60.083 4.786 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.185 3.426 1.543 1.00 0.00 H new ATOM 0 HG LEU A 184 57.720 5.213 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.544 6.281 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.692 6.530 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 184 60.030 5.306 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.177 4.192 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.662 3.214 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.347 2.945 0.811 1.00 0.00 H new ATOM 934 N MET A 185 60.484 2.220 4.539 1.00 0.00 N ATOM 935 CA MET A 185 61.364 1.168 5.035 1.00 0.00 C ATOM 936 C MET A 185 60.559 0.063 5.720 1.00 0.00 C ATOM 937 O MET A 185 60.782 -1.115 5.474 1.00 0.00 O ATOM 938 CB MET A 185 62.385 1.746 6.011 1.00 0.00 C ATOM 939 CG MET A 185 63.366 2.632 5.251 1.00 0.00 C ATOM 940 SD MET A 185 64.581 3.315 6.407 1.00 0.00 S ATOM 941 CE MET A 185 65.528 4.276 5.201 1.00 0.00 C ATOM 0 H MET A 185 60.581 3.117 5.014 1.00 0.00 H new ATOM 0 HA MET A 185 61.890 0.738 4.183 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.879 2.324 6.784 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.920 0.941 6.514 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.870 2.054 4.476 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.831 3.439 4.750 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.563 4.358 5.533 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.496 3.777 4.232 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.096 5.273 5.110 1.00 0.00 H new ATOM 951 N THR A 186 59.551 0.442 6.498 1.00 0.00 N ATOM 952 CA THR A 186 58.749 -0.546 7.227 1.00 0.00 C ATOM 953 C THR A 186 58.017 -1.469 6.245 1.00 0.00 C ATOM 954 O THR A 186 57.825 -2.657 6.515 1.00 0.00 O ATOM 955 CB THR A 186 57.733 0.174 8.130 1.00 0.00 C ATOM 956 OG1 THR A 186 58.419 1.110 8.949 1.00 0.00 O ATOM 957 CG2 THR A 186 56.995 -0.833 9.021 1.00 0.00 C ATOM 0 H THR A 186 59.269 1.412 6.642 1.00 0.00 H new ATOM 0 HA THR A 186 59.412 -1.152 7.845 1.00 0.00 H new ATOM 0 HB THR A 186 57.004 0.686 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.776 1.573 9.526 1.00 0.00 H new ATOM 0 HG21 THR A 186 56.281 -0.305 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.465 -1.552 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.714 -1.359 9.649 1.00 0.00 H new ATOM 965 N ILE A 187 57.629 -0.910 5.096 1.00 0.00 N ATOM 966 CA ILE A 187 57.091 -1.712 3.991 1.00 0.00 C ATOM 967 C ILE A 187 58.096 -2.805 3.612 1.00 0.00 C ATOM 968 O ILE A 187 57.734 -3.968 3.428 1.00 0.00 O ATOM 969 CB ILE A 187 56.831 -0.812 2.767 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.825 0.290 3.129 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.275 -1.652 1.615 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.717 1.296 1.977 1.00 0.00 C ATOM 0 H ILE A 187 57.676 0.091 4.906 1.00 0.00 H new ATOM 0 HA ILE A 187 56.154 -2.170 4.308 1.00 0.00 H new ATOM 0 HB ILE A 187 57.771 -0.353 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.848 -0.149 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.142 0.799 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.093 -1.011 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.996 -2.425 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.340 -2.119 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 187 55.002 2.075 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.693 1.746 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.380 0.783 1.076 1.00 0.00 H new ATOM 984 N MET A 188 59.362 -2.409 3.542 1.00 0.00 N ATOM 985 CA MET A 188 60.435 -3.348 3.240 1.00 0.00 C ATOM 986 C MET A 188 60.504 -4.457 4.290 1.00 0.00 C ATOM 987 O MET A 188 60.740 -5.615 3.962 1.00 0.00 O ATOM 988 CB MET A 188 61.770 -2.615 3.187 1.00 0.00 C ATOM 989 CG MET A 188 61.879 -1.859 1.872 1.00 0.00 C ATOM 990 SD MET A 188 62.237 -3.037 0.555 1.00 0.00 S ATOM 991 CE MET A 188 61.077 -2.358 -0.639 1.00 0.00 C ATOM 0 H MET A 188 59.669 -1.448 3.690 1.00 0.00 H new ATOM 0 HA MET A 188 60.226 -3.799 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.851 -1.923 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.591 -3.325 3.280 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.950 -1.329 1.663 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.667 -1.108 1.932 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.121 -2.939 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.067 -2.401 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.338 -1.321 -0.851 1.00 0.00 H new ATOM 1001 N ALA A 189 60.294 -4.086 5.552 1.00 0.00 N ATOM 1002 CA ALA A 189 60.331 -5.051 6.658 1.00 0.00 C ATOM 1003 C ALA A 189 59.331 -6.199 6.456 1.00 0.00 C ATOM 1004 O ALA A 189 59.721 -7.366 6.434 1.00 0.00 O ATOM 1005 CB ALA A 189 60.023 -4.326 7.970 1.00 0.00 C ATOM 0 H ALA A 189 60.097 -3.127 5.837 1.00 0.00 H new ATOM 0 HA ALA A 189 61.329 -5.487 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.049 -5.039 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.767 -3.548 8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.033 -3.874 7.912 1.00 0.00 H new ATOM 1011 N THR A 190 58.052 -5.866 6.258 1.00 0.00 N ATOM 1012 CA THR A 190 57.019 -6.891 6.007 1.00 0.00 C ATOM 1013 C THR A 190 57.402 -7.789 4.822 1.00 0.00 C ATOM 1014 O THR A 190 57.377 -9.017 4.927 1.00 0.00 O ATOM 1015 CB THR A 190 55.666 -6.221 5.707 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.885 -4.959 5.090 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.863 -6.030 6.997 1.00 0.00 C ATOM 0 H THR A 190 57.704 -4.907 6.265 1.00 0.00 H new ATOM 0 HA THR A 190 56.940 -7.504 6.905 1.00 0.00 H new ATOM 0 HB THR A 190 55.099 -6.864 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.616 -5.034 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 190 53.910 -5.555 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.682 -7.000 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.425 -5.399 7.685 1.00 0.00 H new ATOM 1025 N LEU A 191 57.752 -7.160 3.701 1.00 0.00 N ATOM 1026 CA LEU A 191 58.097 -7.896 2.478 1.00 0.00 C ATOM 1027 C LEU A 191 59.254 -8.873 2.724 1.00 0.00 C ATOM 1028 O LEU A 191 59.139 -10.071 2.461 1.00 0.00 O ATOM 1029 CB LEU A 191 58.511 -6.904 1.389 1.00 0.00 C ATOM 1030 CG LEU A 191 57.299 -6.087 0.922 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.763 -4.697 0.468 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.627 -6.804 -0.253 1.00 0.00 C ATOM 0 H LEU A 191 57.805 -6.145 3.611 1.00 0.00 H new ATOM 0 HA LEU A 191 57.221 -8.465 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.283 -6.236 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 191 58.943 -7.441 0.544 1.00 0.00 H new ATOM 0 HG LEU A 191 56.591 -5.985 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.902 -4.116 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.247 -4.185 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.470 -4.800 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.765 -6.226 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.338 -6.903 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.299 -7.794 0.064 1.00 0.00 H new ATOM 1044 N MET A 192 60.362 -8.340 3.228 1.00 0.00 N ATOM 1045 CA MET A 192 61.573 -9.127 3.460 1.00 0.00 C ATOM 1046 C MET A 192 61.429 -10.078 4.651 1.00 0.00 C ATOM 1047 O MET A 192 62.112 -11.101 4.719 1.00 0.00 O ATOM 1048 CB MET A 192 62.739 -8.185 3.717 1.00 0.00 C ATOM 1049 CG MET A 192 63.191 -7.564 2.391 1.00 0.00 C ATOM 1050 SD MET A 192 64.342 -8.682 1.553 1.00 0.00 S ATOM 1051 CE MET A 192 65.686 -8.568 2.760 1.00 0.00 C ATOM 0 H MET A 192 60.448 -7.357 3.486 1.00 0.00 H new ATOM 0 HA MET A 192 61.748 -9.732 2.570 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.442 -7.403 4.416 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.565 -8.727 4.178 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.327 -7.373 1.755 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.671 -6.603 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.644 -8.566 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.583 -7.647 3.334 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.642 -9.423 3.435 1.00 0.00 H new ATOM 1061 N GLY A 193 60.540 -9.739 5.578 1.00 0.00 N ATOM 1062 CA GLY A 193 60.488 -10.413 6.871 1.00 0.00 C ATOM 1063 C GLY A 193 59.647 -11.689 6.798 1.00 0.00 C ATOM 1064 O GLY A 193 59.557 -12.436 7.773 1.00 0.00 O ATOM 0 H GLY A 193 59.845 -9.002 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.499 -10.659 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.068 -9.740 7.618 1.00 0.00 H new