USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 149 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 152 CYS SG : rot 77:sc= 0.505 USER MOD Single : A 103 MET CE :methyl -154:sc= -0.225 (180deg=-1.36!) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000617 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 112 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 1.29 K(o=1.3,f=-6.1!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0214) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot 90:sc= -1.5 USER MOD Single : A 132 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.72) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc=0.000984 K(o=0.00098,f=-0.9) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 80:sc= 0.209 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -129:sc= -0.571 (180deg=-3.03!) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 139:sc= -0.227 (180deg=-1.35!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.388 10.777 -11.092 1.00 0.00 N ATOM 101 CA MET A 103 60.004 10.420 -9.730 1.00 0.00 C ATOM 102 C MET A 103 61.231 10.067 -8.893 1.00 0.00 C ATOM 103 O MET A 103 61.374 10.521 -7.757 1.00 0.00 O ATOM 104 CB MET A 103 59.044 9.229 -9.755 1.00 0.00 C ATOM 105 CG MET A 103 58.396 9.065 -8.379 1.00 0.00 C ATOM 106 SD MET A 103 57.441 7.528 -8.342 1.00 0.00 S ATOM 107 CE MET A 103 56.256 7.966 -9.638 1.00 0.00 C ATOM 0 HA MET A 103 59.510 11.280 -9.279 1.00 0.00 H new ATOM 0 HB2 MET A 103 58.277 9.383 -10.514 1.00 0.00 H new ATOM 0 HB3 MET A 103 59.582 8.321 -10.026 1.00 0.00 H new ATOM 0 HG2 MET A 103 59.162 9.048 -7.604 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.747 9.914 -8.167 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.329 7.413 -9.486 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.051 9.036 -9.597 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.673 7.713 -10.613 1.00 0.00 H new ATOM 117 N LEU A 104 62.131 9.276 -9.471 1.00 0.00 N ATOM 118 CA LEU A 104 63.341 8.864 -8.764 1.00 0.00 C ATOM 119 C LEU A 104 64.125 10.079 -8.275 1.00 0.00 C ATOM 120 O LEU A 104 64.506 10.156 -7.108 1.00 0.00 O ATOM 121 CB LEU A 104 64.231 8.031 -9.691 1.00 0.00 C ATOM 122 CG LEU A 104 63.483 6.775 -10.144 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.320 6.034 -11.191 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.247 5.859 -8.943 1.00 0.00 C ATOM 0 H LEU A 104 62.047 8.910 -10.419 1.00 0.00 H new ATOM 0 HA LEU A 104 63.043 8.266 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.522 8.624 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.148 7.751 -9.173 1.00 0.00 H new ATOM 0 HG LEU A 104 62.524 7.060 -10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.789 5.139 -11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.490 6.685 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.278 5.750 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.714 4.965 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.205 5.573 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.653 6.385 -8.196 1.00 0.00 H new ATOM 136 N ALA A 105 64.338 11.041 -9.166 1.00 0.00 N ATOM 137 CA ALA A 105 65.140 12.213 -8.829 1.00 0.00 C ATOM 138 C ALA A 105 64.535 12.978 -7.657 1.00 0.00 C ATOM 139 O ALA A 105 65.231 13.302 -6.697 1.00 0.00 O ATOM 140 CB ALA A 105 65.249 13.138 -10.043 1.00 0.00 C ATOM 0 H ALA A 105 63.971 11.034 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 105 66.133 11.869 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.849 14.010 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.723 12.604 -10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.253 13.460 -10.346 1.00 0.00 H new ATOM 146 N THR A 106 63.237 13.256 -7.724 1.00 0.00 N ATOM 147 CA THR A 106 62.569 14.014 -6.666 1.00 0.00 C ATOM 148 C THR A 106 62.816 13.392 -5.292 1.00 0.00 C ATOM 149 O THR A 106 63.280 14.061 -4.366 1.00 0.00 O ATOM 150 CB THR A 106 61.065 14.068 -6.938 1.00 0.00 C ATOM 151 OG1 THR A 106 60.841 14.546 -8.257 1.00 0.00 O ATOM 152 CG2 THR A 106 60.394 15.007 -5.933 1.00 0.00 C ATOM 0 H THR A 106 62.629 12.972 -8.492 1.00 0.00 H new ATOM 0 HA THR A 106 62.983 15.022 -6.664 1.00 0.00 H new ATOM 0 HB THR A 106 60.642 13.069 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.878 14.580 -8.434 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.322 15.044 -6.129 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.566 14.640 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.816 16.007 -6.032 1.00 0.00 H new ATOM 160 N ARG A 107 62.527 12.101 -5.169 1.00 0.00 N ATOM 161 CA ARG A 107 62.701 11.412 -3.896 1.00 0.00 C ATOM 162 C ARG A 107 64.140 11.535 -3.400 1.00 0.00 C ATOM 163 O ARG A 107 64.374 11.824 -2.226 1.00 0.00 O ATOM 164 CB ARG A 107 62.328 9.936 -4.045 1.00 0.00 C ATOM 165 CG ARG A 107 60.875 9.818 -4.514 1.00 0.00 C ATOM 166 CD ARG A 107 59.931 10.225 -3.381 1.00 0.00 C ATOM 167 NE ARG A 107 58.543 9.928 -3.748 1.00 0.00 N ATOM 168 CZ ARG A 107 57.564 9.744 -2.849 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.776 9.816 -1.556 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.358 9.482 -3.274 1.00 0.00 N ATOM 0 H ARG A 107 62.175 11.516 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 107 62.044 11.879 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.992 9.453 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.457 9.420 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.711 10.455 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.665 8.794 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.196 9.692 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.040 11.289 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 107 58.309 9.858 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.711 10.018 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.005 9.670 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.172 9.420 -4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.601 9.339 -2.605 1.00 0.00 H new ATOM 184 N GLU A 108 65.104 11.339 -4.297 1.00 0.00 N ATOM 185 CA GLU A 108 66.509 11.416 -3.913 1.00 0.00 C ATOM 186 C GLU A 108 66.834 12.796 -3.348 1.00 0.00 C ATOM 187 O GLU A 108 67.561 12.913 -2.366 1.00 0.00 O ATOM 188 CB GLU A 108 67.406 11.115 -5.118 1.00 0.00 C ATOM 189 CG GLU A 108 68.874 11.099 -4.682 1.00 0.00 C ATOM 190 CD GLU A 108 69.748 10.544 -5.801 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.410 9.495 -6.326 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.742 11.176 -6.118 1.00 0.00 O ATOM 0 H GLU A 108 64.940 11.129 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 108 66.697 10.671 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.136 10.153 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.255 11.868 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.196 12.108 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.988 10.490 -3.785 1.00 0.00 H new ATOM 199 N GLN A 109 66.283 13.837 -3.963 1.00 0.00 N ATOM 200 CA GLN A 109 66.555 15.200 -3.522 1.00 0.00 C ATOM 201 C GLN A 109 66.151 15.375 -2.063 1.00 0.00 C ATOM 202 O GLN A 109 66.904 15.927 -1.261 1.00 0.00 O ATOM 203 CB GLN A 109 65.784 16.196 -4.392 1.00 0.00 C ATOM 204 CG GLN A 109 66.187 17.625 -4.017 1.00 0.00 C ATOM 205 CD GLN A 109 65.465 18.644 -4.897 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.848 18.288 -5.904 1.00 0.00 O ATOM 207 NE2 GLN A 109 65.503 19.907 -4.573 1.00 0.00 N ATOM 0 H GLN A 109 65.651 13.765 -4.761 1.00 0.00 H new ATOM 0 HA GLN A 109 67.624 15.389 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 109 65.994 16.013 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 109 64.711 16.062 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 109 65.950 17.811 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 109 67.265 17.744 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 109 66.012 20.205 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.023 20.597 -5.152 1.00 0.00 H new ATOM 216 N GLU A 110 64.972 14.872 -1.719 1.00 0.00 N ATOM 217 CA GLU A 110 64.475 14.999 -0.353 1.00 0.00 C ATOM 218 C GLU A 110 65.426 14.319 0.627 1.00 0.00 C ATOM 219 O GLU A 110 65.803 14.895 1.647 1.00 0.00 O ATOM 220 CB GLU A 110 63.084 14.372 -0.239 1.00 0.00 C ATOM 221 CG GLU A 110 62.098 15.150 -1.116 1.00 0.00 C ATOM 222 CD GLU A 110 60.674 14.610 -0.965 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.513 13.477 -0.537 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.754 15.347 -1.283 1.00 0.00 O ATOM 0 H GLU A 110 64.348 14.378 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 110 64.413 16.059 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.118 13.328 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.752 14.385 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.120 16.205 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.406 15.084 -2.160 1.00 0.00 H new ATOM 231 N ALA A 111 65.831 13.099 0.298 1.00 0.00 N ATOM 232 CA ALA A 111 66.725 12.343 1.169 1.00 0.00 C ATOM 233 C ALA A 111 68.034 13.097 1.383 1.00 0.00 C ATOM 234 O ALA A 111 68.530 13.194 2.505 1.00 0.00 O ATOM 235 CB ALA A 111 67.018 10.973 0.552 1.00 0.00 C ATOM 0 H ALA A 111 65.558 12.614 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 111 66.235 12.211 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.686 10.414 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.085 10.422 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.492 11.106 -0.421 1.00 0.00 H new ATOM 241 N ASN A 112 68.585 13.634 0.301 1.00 0.00 N ATOM 242 CA ASN A 112 69.854 14.350 0.372 1.00 0.00 C ATOM 243 C ASN A 112 69.754 15.539 1.320 1.00 0.00 C ATOM 244 O ASN A 112 70.656 15.785 2.121 1.00 0.00 O ATOM 245 CB ASN A 112 70.255 14.838 -1.021 1.00 0.00 C ATOM 246 CG ASN A 112 71.695 15.341 -1.004 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.498 14.899 -0.182 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.071 16.242 -1.869 1.00 0.00 N ATOM 0 H ASN A 112 68.176 13.588 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 112 70.612 13.665 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.153 14.027 -1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.586 15.637 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.033 16.582 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.403 16.606 -2.549 1.00 0.00 H new ATOM 255 N LYS A 113 68.652 16.276 1.227 1.00 0.00 N ATOM 256 CA LYS A 113 68.454 17.443 2.079 1.00 0.00 C ATOM 257 C LYS A 113 68.485 17.030 3.545 1.00 0.00 C ATOM 258 O LYS A 113 69.148 17.661 4.368 1.00 0.00 O ATOM 259 CB LYS A 113 67.112 18.104 1.758 1.00 0.00 C ATOM 260 CG LYS A 113 66.976 19.403 2.556 1.00 0.00 C ATOM 261 CD LYS A 113 65.598 20.018 2.302 1.00 0.00 C ATOM 262 CE LYS A 113 65.513 21.383 2.986 1.00 0.00 C ATOM 263 NZ LYS A 113 64.342 22.135 2.452 1.00 0.00 N ATOM 0 H LYS A 113 67.889 16.089 0.577 1.00 0.00 H new ATOM 0 HA LYS A 113 69.257 18.155 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 113 67.044 18.312 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.294 17.427 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.106 19.204 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.758 20.104 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.428 20.125 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 113 64.818 19.359 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 113 65.416 21.256 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 113 66.430 21.946 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 64.284 23.063 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 64.453 22.268 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 63.471 21.599 2.639 1.00 0.00 H new ATOM 277 N ASP A 114 67.758 15.963 3.858 1.00 0.00 N ATOM 278 CA ASP A 114 67.729 15.426 5.215 1.00 0.00 C ATOM 279 C ASP A 114 68.132 13.955 5.213 1.00 0.00 C ATOM 280 O ASP A 114 67.388 13.095 4.740 1.00 0.00 O ATOM 281 CB ASP A 114 66.323 15.569 5.803 1.00 0.00 C ATOM 282 CG ASP A 114 66.339 15.223 7.287 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.620 16.109 8.078 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.072 14.079 7.612 1.00 0.00 O ATOM 0 H ASP A 114 67.180 15.452 3.190 1.00 0.00 H new ATOM 0 HA ASP A 114 68.437 15.987 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.964 16.589 5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.631 14.912 5.276 1.00 0.00 H new ATOM 289 N LEU A 115 69.321 13.668 5.732 1.00 0.00 N ATOM 290 CA LEU A 115 69.801 12.287 5.799 1.00 0.00 C ATOM 291 C LEU A 115 69.522 11.621 7.153 1.00 0.00 C ATOM 292 O LEU A 115 69.684 10.409 7.280 1.00 0.00 O ATOM 293 CB LEU A 115 71.307 12.240 5.520 1.00 0.00 C ATOM 294 CG LEU A 115 71.585 12.597 4.057 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.091 12.776 3.854 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.087 11.474 3.144 1.00 0.00 C ATOM 0 H LEU A 115 69.966 14.362 6.109 1.00 0.00 H new ATOM 0 HA LEU A 115 69.252 11.731 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.828 12.936 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.694 11.245 5.739 1.00 0.00 H new ATOM 0 HG LEU A 115 71.065 13.523 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.290 13.030 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.452 13.577 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.605 11.848 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.288 11.734 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.604 10.547 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.014 11.340 3.284 1.00 0.00 H new ATOM 308 N THR A 116 69.122 12.395 8.164 1.00 0.00 N ATOM 309 CA THR A 116 68.877 11.837 9.494 1.00 0.00 C ATOM 310 C THR A 116 67.415 11.421 9.707 1.00 0.00 C ATOM 311 O THR A 116 67.000 11.198 10.844 1.00 0.00 O ATOM 312 CB THR A 116 69.264 12.864 10.559 1.00 0.00 C ATOM 313 OG1 THR A 116 68.470 14.031 10.400 1.00 0.00 O ATOM 314 CG2 THR A 116 70.743 13.226 10.410 1.00 0.00 C ATOM 0 H THR A 116 68.962 13.400 8.088 1.00 0.00 H new ATOM 0 HA THR A 116 69.488 10.939 9.579 1.00 0.00 H new ATOM 0 HB THR A 116 69.095 12.441 11.549 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.716 14.689 11.083 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.017 13.958 11.170 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.351 12.330 10.534 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.916 13.648 9.420 1.00 0.00 H new ATOM 322 N SER A 117 66.630 11.313 8.633 1.00 0.00 N ATOM 323 CA SER A 117 65.235 10.898 8.749 1.00 0.00 C ATOM 324 C SER A 117 65.054 9.479 8.198 1.00 0.00 C ATOM 325 O SER A 117 64.845 9.323 6.994 1.00 0.00 O ATOM 326 CB SER A 117 64.352 11.859 7.952 1.00 0.00 C ATOM 327 OG SER A 117 63.032 11.335 7.887 1.00 0.00 O ATOM 0 H SER A 117 66.936 11.506 7.679 1.00 0.00 H new ATOM 0 HA SER A 117 64.950 10.912 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.343 12.841 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.753 11.992 6.947 1.00 0.00 H new ATOM 0 HG SER A 117 62.461 11.948 7.378 1.00 0.00 H new ATOM 333 N PRO A 118 65.097 8.450 9.023 1.00 0.00 N ATOM 334 CA PRO A 118 65.029 7.043 8.517 1.00 0.00 C ATOM 335 C PRO A 118 63.887 6.818 7.531 1.00 0.00 C ATOM 336 O PRO A 118 64.034 6.051 6.581 1.00 0.00 O ATOM 337 CB PRO A 118 64.829 6.198 9.776 1.00 0.00 C ATOM 338 CG PRO A 118 65.420 7.000 10.882 1.00 0.00 C ATOM 339 CD PRO A 118 65.240 8.467 10.494 1.00 0.00 C ATOM 0 HA PRO A 118 65.930 6.784 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.772 6.001 9.954 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.323 5.231 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.922 6.784 11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.475 6.760 11.015 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.361 8.898 10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.097 9.066 10.802 1.00 0.00 H new ATOM 347 N ASP A 119 62.762 7.494 7.741 1.00 0.00 N ATOM 348 CA ASP A 119 61.619 7.337 6.848 1.00 0.00 C ATOM 349 C ASP A 119 62.005 7.686 5.413 1.00 0.00 C ATOM 350 O ASP A 119 61.846 6.873 4.501 1.00 0.00 O ATOM 351 CB ASP A 119 60.466 8.235 7.304 1.00 0.00 C ATOM 352 CG ASP A 119 59.974 7.798 8.680 1.00 0.00 C ATOM 353 OD1 ASP A 119 59.982 6.605 8.941 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.595 8.662 9.453 1.00 0.00 O ATOM 0 H ASP A 119 62.617 8.147 8.511 1.00 0.00 H new ATOM 0 HA ASP A 119 61.299 6.295 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.796 9.273 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.649 8.185 6.584 1.00 0.00 H new ATOM 359 N ALA A 120 62.539 8.888 5.221 1.00 0.00 N ATOM 360 CA ALA A 120 62.925 9.329 3.885 1.00 0.00 C ATOM 361 C ALA A 120 63.939 8.369 3.277 1.00 0.00 C ATOM 362 O ALA A 120 63.834 8.014 2.102 1.00 0.00 O ATOM 363 CB ALA A 120 63.517 10.739 3.940 1.00 0.00 C ATOM 0 H ALA A 120 62.713 9.566 5.963 1.00 0.00 H new ATOM 0 HA ALA A 120 62.033 9.342 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.800 11.054 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.775 11.430 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.398 10.739 4.582 1.00 0.00 H new ATOM 369 N GLN A 121 64.902 7.923 4.082 1.00 0.00 N ATOM 370 CA GLN A 121 65.932 7.018 3.572 1.00 0.00 C ATOM 371 C GLN A 121 65.281 5.745 3.044 1.00 0.00 C ATOM 372 O GLN A 121 65.568 5.310 1.933 1.00 0.00 O ATOM 373 CB GLN A 121 66.973 6.638 4.642 1.00 0.00 C ATOM 374 CG GLN A 121 67.382 7.822 5.537 1.00 0.00 C ATOM 375 CD GLN A 121 67.699 9.083 4.733 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.619 9.090 3.916 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.972 10.151 4.917 1.00 0.00 N ATOM 0 H GLN A 121 64.991 8.166 5.069 1.00 0.00 H new ATOM 0 HA GLN A 121 66.453 7.548 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.569 5.841 5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.860 6.239 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.577 8.036 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.255 7.542 6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.211 10.139 5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.165 10.998 4.382 1.00 0.00 H new ATOM 386 N ALA A 122 64.344 5.192 3.813 1.00 0.00 N ATOM 387 CA ALA A 122 63.708 3.927 3.451 1.00 0.00 C ATOM 388 C ALA A 122 63.106 4.015 2.055 1.00 0.00 C ATOM 389 O ALA A 122 63.324 3.142 1.215 1.00 0.00 O ATOM 390 CB ALA A 122 62.614 3.582 4.462 1.00 0.00 C ATOM 0 H ALA A 122 64.010 5.598 4.687 1.00 0.00 H new ATOM 0 HA ALA A 122 64.466 3.144 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.146 2.638 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.053 3.491 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.862 4.371 4.468 1.00 0.00 H new ATOM 396 N ALA A 123 62.390 5.103 1.801 1.00 0.00 N ATOM 397 CA ALA A 123 61.769 5.295 0.495 1.00 0.00 C ATOM 398 C ALA A 123 62.831 5.307 -0.600 1.00 0.00 C ATOM 399 O ALA A 123 62.676 4.667 -1.638 1.00 0.00 O ATOM 400 CB ALA A 123 60.985 6.609 0.472 1.00 0.00 C ATOM 0 H ALA A 123 62.226 5.856 2.470 1.00 0.00 H new ATOM 0 HA ALA A 123 61.083 4.468 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.526 6.742 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.208 6.583 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.662 7.440 0.671 1.00 0.00 H new ATOM 406 N PHE A 124 63.925 6.020 -0.352 1.00 0.00 N ATOM 407 CA PHE A 124 64.997 6.124 -1.337 1.00 0.00 C ATOM 408 C PHE A 124 65.550 4.745 -1.683 1.00 0.00 C ATOM 409 O PHE A 124 65.743 4.417 -2.853 1.00 0.00 O ATOM 410 CB PHE A 124 66.121 7.005 -0.792 1.00 0.00 C ATOM 411 CG PHE A 124 67.194 7.308 -1.811 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.839 7.699 -3.108 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.544 7.195 -1.459 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.834 7.978 -4.052 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.539 7.474 -2.404 1.00 0.00 C ATOM 416 CZ PHE A 124 69.185 7.865 -3.700 1.00 0.00 C ATOM 0 H PHE A 124 64.093 6.531 0.515 1.00 0.00 H new ATOM 0 HA PHE A 124 64.588 6.573 -2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.696 7.942 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.575 6.511 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.797 7.785 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.818 6.893 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.560 8.280 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.581 7.387 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.953 8.080 -4.428 1.00 0.00 H new ATOM 426 N TYR A 125 65.780 3.929 -0.661 1.00 0.00 N ATOM 427 CA TYR A 125 66.338 2.595 -0.867 1.00 0.00 C ATOM 428 C TYR A 125 65.439 1.791 -1.803 1.00 0.00 C ATOM 429 O TYR A 125 65.902 1.183 -2.768 1.00 0.00 O ATOM 430 CB TYR A 125 66.450 1.856 0.472 1.00 0.00 C ATOM 431 CG TYR A 125 67.556 2.343 1.384 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.890 2.018 1.121 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.238 3.115 2.507 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.904 2.466 1.980 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.248 3.566 3.365 1.00 0.00 C ATOM 436 CZ TYR A 125 69.582 3.242 3.105 1.00 0.00 C ATOM 437 OH TYR A 125 70.578 3.688 3.956 1.00 0.00 O ATOM 0 H TYR A 125 65.591 4.164 0.313 1.00 0.00 H new ATOM 0 HA TYR A 125 67.329 2.700 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.500 1.945 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.605 0.796 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.140 1.422 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.208 3.364 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.934 2.214 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.996 4.164 4.228 1.00 0.00 H new ATOM 0 HH TYR A 125 70.178 4.212 4.681 1.00 0.00 H new ATOM 447 N LYS A 126 64.142 1.819 -1.525 1.00 0.00 N ATOM 448 CA LYS A 126 63.183 1.061 -2.318 1.00 0.00 C ATOM 449 C LYS A 126 63.255 1.472 -3.783 1.00 0.00 C ATOM 450 O LYS A 126 63.302 0.629 -4.678 1.00 0.00 O ATOM 451 CB LYS A 126 61.768 1.312 -1.788 1.00 0.00 C ATOM 452 CG LYS A 126 61.639 0.775 -0.356 1.00 0.00 C ATOM 453 CD LYS A 126 60.199 0.335 -0.086 1.00 0.00 C ATOM 454 CE LYS A 126 60.094 -0.230 1.331 1.00 0.00 C ATOM 455 NZ LYS A 126 60.076 0.890 2.314 1.00 0.00 N ATOM 0 H LYS A 126 63.731 2.355 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 126 63.426 0.001 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.549 2.380 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 126 61.037 0.826 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.317 -0.066 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.932 1.546 0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.521 1.181 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.896 -0.419 -0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.188 -0.828 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.936 -0.892 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 60.716 0.669 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 60.390 1.766 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 59.110 1.018 2.677 1.00 0.00 H new ATOM 469 N LEU A 127 63.281 2.777 -4.019 1.00 0.00 N ATOM 470 CA LEU A 127 63.304 3.293 -5.381 1.00 0.00 C ATOM 471 C LEU A 127 64.520 2.765 -6.133 1.00 0.00 C ATOM 472 O LEU A 127 64.410 2.327 -7.277 1.00 0.00 O ATOM 473 CB LEU A 127 63.337 4.821 -5.360 1.00 0.00 C ATOM 474 CG LEU A 127 62.074 5.345 -4.677 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.285 6.804 -4.273 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.894 5.251 -5.649 1.00 0.00 C ATOM 0 H LEU A 127 63.287 3.492 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 127 62.402 2.957 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.223 5.170 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.402 5.209 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 127 61.863 4.748 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.386 7.180 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.127 6.873 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.493 7.401 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.992 5.624 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.104 5.850 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.745 4.211 -5.941 1.00 0.00 H new ATOM 488 N LEU A 128 65.674 2.784 -5.474 1.00 0.00 N ATOM 489 CA LEU A 128 66.908 2.361 -6.122 1.00 0.00 C ATOM 490 C LEU A 128 66.813 0.909 -6.576 1.00 0.00 C ATOM 491 O LEU A 128 67.280 0.566 -7.661 1.00 0.00 O ATOM 492 CB LEU A 128 68.096 2.528 -5.171 1.00 0.00 C ATOM 493 CG LEU A 128 68.600 3.973 -5.218 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.549 4.221 -4.045 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.345 4.211 -6.534 1.00 0.00 C ATOM 0 H LEU A 128 65.780 3.084 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 128 67.060 2.992 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.799 2.270 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.897 1.845 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 128 67.752 4.655 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.908 5.250 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 128 69.020 4.051 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.396 3.539 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.704 5.240 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.192 3.529 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.670 4.035 -7.371 1.00 0.00 H new ATOM 507 N LEU A 129 66.220 0.058 -5.744 1.00 0.00 N ATOM 508 CA LEU A 129 66.086 -1.352 -6.100 1.00 0.00 C ATOM 509 C LEU A 129 65.179 -1.520 -7.315 1.00 0.00 C ATOM 510 O LEU A 129 65.528 -2.213 -8.269 1.00 0.00 O ATOM 511 CB LEU A 129 65.516 -2.144 -4.922 1.00 0.00 C ATOM 512 CG LEU A 129 66.643 -2.495 -3.949 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.056 -2.793 -2.569 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.395 -3.724 -4.467 1.00 0.00 C ATOM 0 H LEU A 129 65.831 0.312 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 129 67.077 -1.734 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.751 -1.558 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.035 -3.054 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 129 67.332 -1.654 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.861 -3.043 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.523 -1.916 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.366 -3.633 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.199 -3.977 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.706 -4.565 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.816 -3.506 -5.449 1.00 0.00 H new ATOM 526 N GLN A 130 64.043 -0.834 -7.306 1.00 0.00 N ATOM 527 CA GLN A 130 63.081 -0.954 -8.396 1.00 0.00 C ATOM 528 C GLN A 130 63.714 -0.563 -9.729 1.00 0.00 C ATOM 529 O GLN A 130 63.461 -1.196 -10.754 1.00 0.00 O ATOM 530 CB GLN A 130 61.870 -0.061 -8.125 1.00 0.00 C ATOM 531 CG GLN A 130 61.130 -0.566 -6.884 1.00 0.00 C ATOM 532 CD GLN A 130 59.966 0.362 -6.546 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.960 1.529 -6.940 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.971 -0.092 -5.833 1.00 0.00 N ATOM 0 H GLN A 130 63.766 -0.193 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 130 62.763 -1.995 -8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.191 0.970 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.202 -0.065 -8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.759 -1.576 -7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.817 -0.621 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.976 -1.058 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.188 0.520 -5.602 1.00 0.00 H new ATOM 543 N SER A 131 64.537 0.481 -9.710 1.00 0.00 N ATOM 544 CA SER A 131 65.143 0.984 -10.941 1.00 0.00 C ATOM 545 C SER A 131 66.432 0.247 -11.327 1.00 0.00 C ATOM 546 O SER A 131 67.184 0.734 -12.172 1.00 0.00 O ATOM 547 CB SER A 131 65.442 2.476 -10.787 1.00 0.00 C ATOM 548 OG SER A 131 64.216 3.186 -10.663 1.00 0.00 O ATOM 0 H SER A 131 64.798 0.991 -8.866 1.00 0.00 H new ATOM 0 HA SER A 131 64.424 0.809 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.065 2.646 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.001 2.839 -11.650 1.00 0.00 H new ATOM 0 HG SER A 131 63.967 3.246 -9.717 1.00 0.00 H new ATOM 554 N ASN A 132 66.693 -0.917 -10.730 1.00 0.00 N ATOM 555 CA ASN A 132 67.868 -1.705 -11.086 1.00 0.00 C ATOM 556 C ASN A 132 69.153 -0.936 -10.777 1.00 0.00 C ATOM 557 O ASN A 132 70.048 -0.814 -11.617 1.00 0.00 O ATOM 558 CB ASN A 132 67.810 -2.082 -12.571 1.00 0.00 C ATOM 559 CG ASN A 132 68.905 -3.094 -12.894 1.00 0.00 C ATOM 560 OD1 ASN A 132 69.914 -2.743 -13.505 1.00 0.00 O ATOM 561 ND2 ASN A 132 68.764 -4.336 -12.519 1.00 0.00 N ATOM 0 H ASN A 132 66.109 -1.331 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 132 67.871 -2.617 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.833 -2.502 -12.810 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.934 -1.191 -13.186 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.491 -5.019 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.927 -4.624 -12.013 1.00 0.00 H new ATOM 568 N TYR A 133 69.244 -0.419 -9.554 1.00 0.00 N ATOM 569 CA TYR A 133 70.443 0.297 -9.115 1.00 0.00 C ATOM 570 C TYR A 133 71.016 -0.308 -7.820 1.00 0.00 C ATOM 571 O TYR A 133 71.374 0.426 -6.890 1.00 0.00 O ATOM 572 CB TYR A 133 70.086 1.771 -8.886 1.00 0.00 C ATOM 573 CG TYR A 133 69.949 2.584 -10.152 1.00 0.00 C ATOM 574 CD1 TYR A 133 68.710 2.675 -10.795 1.00 0.00 C ATOM 575 CD2 TYR A 133 71.059 3.257 -10.672 1.00 0.00 C ATOM 576 CE1 TYR A 133 68.581 3.438 -11.962 1.00 0.00 C ATOM 577 CE2 TYR A 133 70.932 4.020 -11.839 1.00 0.00 C ATOM 578 CZ TYR A 133 69.693 4.111 -12.484 1.00 0.00 C ATOM 579 OH TYR A 133 69.566 4.864 -13.634 1.00 0.00 O ATOM 0 H TYR A 133 68.507 -0.481 -8.851 1.00 0.00 H new ATOM 0 HA TYR A 133 71.205 0.208 -9.889 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.149 1.823 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.853 2.225 -8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 133 67.853 2.157 -10.391 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.014 3.188 -10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 133 67.625 3.508 -12.459 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.790 4.538 -12.241 1.00 0.00 H new ATOM 0 HH TYR A 133 70.431 5.265 -13.860 1.00 0.00 H new ATOM 589 N PRO A 134 71.209 -1.611 -7.752 1.00 0.00 N ATOM 590 CA PRO A 134 71.687 -2.262 -6.491 1.00 0.00 C ATOM 591 C PRO A 134 73.002 -1.652 -6.009 1.00 0.00 C ATOM 592 O PRO A 134 73.201 -1.445 -4.813 1.00 0.00 O ATOM 593 CB PRO A 134 71.854 -3.742 -6.851 1.00 0.00 C ATOM 594 CG PRO A 134 71.918 -3.786 -8.339 1.00 0.00 C ATOM 595 CD PRO A 134 71.078 -2.609 -8.831 1.00 0.00 C ATOM 0 HA PRO A 134 70.985 -2.120 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.760 -4.154 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 134 71.018 -4.333 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.947 -3.704 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.527 -4.730 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.448 -2.223 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.038 -2.896 -8.987 1.00 0.00 H new ATOM 603 N GLN A 135 73.890 -1.344 -6.948 1.00 0.00 N ATOM 604 CA GLN A 135 75.184 -0.764 -6.601 1.00 0.00 C ATOM 605 C GLN A 135 75.011 0.509 -5.773 1.00 0.00 C ATOM 606 O GLN A 135 75.754 0.748 -4.821 1.00 0.00 O ATOM 607 CB GLN A 135 75.980 -0.462 -7.875 1.00 0.00 C ATOM 608 CG GLN A 135 75.222 0.548 -8.740 1.00 0.00 C ATOM 609 CD GLN A 135 75.845 0.616 -10.130 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.197 -0.415 -10.703 1.00 0.00 O ATOM 611 NE2 GLN A 135 76.003 1.774 -10.709 1.00 0.00 N ATOM 0 H GLN A 135 73.741 -1.484 -7.947 1.00 0.00 H new ATOM 0 HA GLN A 135 75.733 -1.487 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 135 76.962 -0.066 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.146 -1.381 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 135 74.174 0.259 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.249 1.532 -8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 135 75.710 2.627 -10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 135 76.419 1.827 -11.639 1.00 0.00 H new ATOM 620 N TYR A 136 74.002 1.308 -6.111 1.00 0.00 N ATOM 621 CA TYR A 136 73.753 2.553 -5.395 1.00 0.00 C ATOM 622 C TYR A 136 73.290 2.254 -3.973 1.00 0.00 C ATOM 623 O TYR A 136 73.748 2.873 -3.014 1.00 0.00 O ATOM 624 CB TYR A 136 72.685 3.372 -6.125 1.00 0.00 C ATOM 625 CG TYR A 136 73.241 4.231 -7.237 1.00 0.00 C ATOM 626 CD1 TYR A 136 73.696 3.639 -8.420 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.299 5.621 -7.081 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.211 4.438 -9.449 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.813 6.420 -8.109 1.00 0.00 C ATOM 630 CZ TYR A 136 74.269 5.828 -9.293 1.00 0.00 C ATOM 631 OH TYR A 136 74.777 6.615 -10.307 1.00 0.00 O ATOM 0 H TYR A 136 73.349 1.116 -6.871 1.00 0.00 H new ATOM 0 HA TYR A 136 74.679 3.127 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.938 2.694 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.172 4.010 -5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 136 73.650 2.567 -8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.947 6.077 -6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 136 74.563 3.982 -10.362 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.858 7.492 -7.989 1.00 0.00 H new ATOM 0 HH TYR A 136 74.745 7.557 -10.038 1.00 0.00 H new ATOM 641 N VAL A 137 72.403 1.271 -3.843 1.00 0.00 N ATOM 642 CA VAL A 137 71.879 0.882 -2.535 1.00 0.00 C ATOM 643 C VAL A 137 73.026 0.537 -1.586 1.00 0.00 C ATOM 644 O VAL A 137 73.021 0.929 -0.423 1.00 0.00 O ATOM 645 CB VAL A 137 70.941 -0.324 -2.689 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.348 -0.723 -1.332 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.794 0.036 -3.637 1.00 0.00 C ATOM 0 H VAL A 137 72.032 0.730 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 137 71.320 1.718 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 137 71.517 -1.158 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.686 -1.579 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.153 -0.987 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.783 0.114 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.129 -0.821 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.236 0.879 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.199 0.306 -4.612 1.00 0.00 H new ATOM 657 N VAL A 138 74.016 -0.179 -2.103 1.00 0.00 N ATOM 658 CA VAL A 138 75.144 -0.605 -1.282 1.00 0.00 C ATOM 659 C VAL A 138 75.956 0.602 -0.820 1.00 0.00 C ATOM 660 O VAL A 138 76.178 0.790 0.375 1.00 0.00 O ATOM 661 CB VAL A 138 76.035 -1.571 -2.078 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.200 -2.069 -1.215 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.205 -2.775 -2.529 1.00 0.00 C ATOM 0 H VAL A 138 74.062 -0.475 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 138 74.761 -1.119 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 138 76.433 -1.040 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.819 -2.752 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.802 -1.220 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.809 -2.590 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.836 -3.461 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.803 -3.288 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.384 -2.435 -3.160 1.00 0.00 H new ATOM 673 N SER A 139 76.367 1.440 -1.765 1.00 0.00 N ATOM 674 CA SER A 139 77.219 2.583 -1.440 1.00 0.00 C ATOM 675 C SER A 139 76.591 3.449 -0.349 1.00 0.00 C ATOM 676 O SER A 139 77.288 3.968 0.524 1.00 0.00 O ATOM 677 CB SER A 139 77.452 3.430 -2.691 1.00 0.00 C ATOM 678 OG SER A 139 77.991 2.609 -3.719 1.00 0.00 O ATOM 0 H SER A 139 76.128 1.353 -2.753 1.00 0.00 H new ATOM 0 HA SER A 139 78.170 2.200 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.515 3.878 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.135 4.249 -2.468 1.00 0.00 H new ATOM 0 HG SER A 139 77.269 2.101 -4.144 1.00 0.00 H new ATOM 684 N ARG A 140 75.274 3.599 -0.409 1.00 0.00 N ATOM 685 CA ARG A 140 74.555 4.416 0.561 1.00 0.00 C ATOM 686 C ARG A 140 74.476 3.733 1.921 1.00 0.00 C ATOM 687 O ARG A 140 74.897 4.303 2.926 1.00 0.00 O ATOM 688 CB ARG A 140 73.144 4.701 0.044 1.00 0.00 C ATOM 689 CG ARG A 140 72.475 5.762 0.918 1.00 0.00 C ATOM 690 CD ARG A 140 71.054 6.008 0.412 1.00 0.00 C ATOM 691 NE ARG A 140 70.435 7.117 1.144 1.00 0.00 N ATOM 692 CZ ARG A 140 70.538 8.401 0.769 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.228 8.771 -0.283 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.933 9.313 1.479 1.00 0.00 N ATOM 0 H ARG A 140 74.682 3.166 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 140 75.102 5.350 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.188 5.044 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.553 3.785 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.452 5.433 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.049 6.688 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.075 6.234 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.456 5.105 0.534 1.00 0.00 H new ATOM 0 HE ARG A 140 69.897 6.901 1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.710 8.072 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.283 9.758 -0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.394 9.044 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 140 69.999 10.295 1.211 1.00 0.00 H new ATOM 708 N PHE A 141 73.977 2.502 1.952 1.00 0.00 N ATOM 709 CA PHE A 141 73.779 1.803 3.219 1.00 0.00 C ATOM 710 C PHE A 141 75.083 1.690 4.016 1.00 0.00 C ATOM 711 O PHE A 141 75.062 1.665 5.246 1.00 0.00 O ATOM 712 CB PHE A 141 73.210 0.408 2.961 1.00 0.00 C ATOM 713 CG PHE A 141 72.785 -0.307 4.222 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.505 -0.093 4.749 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.669 -1.181 4.866 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.109 -0.753 5.919 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.273 -1.842 6.035 1.00 0.00 C ATOM 718 CZ PHE A 141 71.993 -1.628 6.561 1.00 0.00 C ATOM 0 H PHE A 141 73.704 1.971 1.125 1.00 0.00 H new ATOM 0 HA PHE A 141 73.074 2.386 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.353 0.491 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.960 -0.193 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.823 0.581 4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.657 -1.345 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.122 -0.587 6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 141 73.955 -2.517 6.531 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.688 -2.138 7.463 1.00 0.00 H new ATOM 728 N GLU A 142 76.213 1.622 3.316 1.00 0.00 N ATOM 729 CA GLU A 142 77.507 1.456 3.975 1.00 0.00 C ATOM 730 C GLU A 142 78.031 2.748 4.613 1.00 0.00 C ATOM 731 O GLU A 142 78.971 2.691 5.403 1.00 0.00 O ATOM 732 CB GLU A 142 78.533 0.946 2.962 1.00 0.00 C ATOM 733 CG GLU A 142 78.158 -0.474 2.523 1.00 0.00 C ATOM 734 CD GLU A 142 79.198 -1.053 1.561 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.937 -0.286 0.958 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.241 -2.265 1.438 1.00 0.00 O ATOM 0 H GLU A 142 76.260 1.679 2.299 1.00 0.00 H new ATOM 0 HA GLU A 142 77.360 0.736 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.566 1.608 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.529 0.950 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 142 78.073 -1.117 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.181 -0.461 2.040 1.00 0.00 H new ATOM 743 N THR A 143 77.449 3.903 4.279 1.00 0.00 N ATOM 744 CA THR A 143 77.900 5.167 4.855 1.00 0.00 C ATOM 745 C THR A 143 77.222 5.407 6.211 1.00 0.00 C ATOM 746 O THR A 143 76.041 5.754 6.230 1.00 0.00 O ATOM 747 CB THR A 143 77.533 6.313 3.910 1.00 0.00 C ATOM 748 OG1 THR A 143 77.915 5.972 2.586 1.00 0.00 O ATOM 749 CG2 THR A 143 78.260 7.587 4.342 1.00 0.00 C ATOM 0 H THR A 143 76.674 3.987 3.621 1.00 0.00 H new ATOM 0 HA THR A 143 78.980 5.124 4.995 1.00 0.00 H new ATOM 0 HB THR A 143 76.457 6.484 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.679 6.704 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.997 8.402 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.965 7.847 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.337 7.421 4.308 1.00 0.00 H new ATOM 757 N PRO A 144 77.907 5.283 7.334 1.00 0.00 N ATOM 758 CA PRO A 144 77.234 5.390 8.672 1.00 0.00 C ATOM 759 C PRO A 144 76.515 6.724 8.892 1.00 0.00 C ATOM 760 O PRO A 144 75.699 6.846 9.806 1.00 0.00 O ATOM 761 CB PRO A 144 78.365 5.211 9.694 1.00 0.00 C ATOM 762 CG PRO A 144 79.491 4.590 8.942 1.00 0.00 C ATOM 763 CD PRO A 144 79.359 5.087 7.506 1.00 0.00 C ATOM 0 HA PRO A 144 76.448 4.640 8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.661 6.169 10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.049 4.576 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.452 4.879 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.437 3.502 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.909 6.015 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.752 4.361 6.794 1.00 0.00 H new ATOM 771 N GLY A 145 76.813 7.719 8.061 1.00 0.00 N ATOM 772 CA GLY A 145 76.221 9.045 8.223 1.00 0.00 C ATOM 773 C GLY A 145 74.726 9.075 7.890 1.00 0.00 C ATOM 774 O GLY A 145 74.005 9.954 8.361 1.00 0.00 O ATOM 0 H GLY A 145 77.456 7.634 7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.366 9.379 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.745 9.752 7.581 1.00 0.00 H new ATOM 778 N ILE A 146 74.256 8.123 7.085 1.00 0.00 N ATOM 779 CA ILE A 146 72.862 8.119 6.653 1.00 0.00 C ATOM 780 C ILE A 146 72.043 7.156 7.510 1.00 0.00 C ATOM 781 O ILE A 146 72.503 6.068 7.859 1.00 0.00 O ATOM 782 CB ILE A 146 72.772 7.727 5.171 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.612 8.697 4.333 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.316 7.795 4.700 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.734 8.176 2.900 1.00 0.00 C ATOM 0 H ILE A 146 74.816 7.351 6.722 1.00 0.00 H new ATOM 0 HA ILE A 146 72.453 9.122 6.776 1.00 0.00 H new ATOM 0 HB ILE A 146 73.147 6.711 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.150 9.684 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.602 8.809 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.261 7.516 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.710 7.108 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.940 8.810 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.332 8.870 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.216 7.198 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.741 8.088 2.459 1.00 0.00 H new ATOM 797 N ALA A 147 70.826 7.573 7.843 1.00 0.00 N ATOM 798 CA ALA A 147 69.957 6.788 8.711 1.00 0.00 C ATOM 799 C ALA A 147 69.625 5.429 8.098 1.00 0.00 C ATOM 800 O ALA A 147 69.705 5.232 6.881 1.00 0.00 O ATOM 801 CB ALA A 147 68.663 7.558 8.984 1.00 0.00 C ATOM 0 H ALA A 147 70.419 8.452 7.524 1.00 0.00 H new ATOM 0 HA ALA A 147 70.490 6.614 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.018 6.966 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.899 8.504 9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.150 7.753 8.042 1.00 0.00 H new ATOM 807 N SER A 148 69.282 4.484 8.967 1.00 0.00 N ATOM 808 CA SER A 148 68.868 3.160 8.522 1.00 0.00 C ATOM 809 C SER A 148 67.825 2.583 9.474 1.00 0.00 C ATOM 810 O SER A 148 67.943 2.700 10.693 1.00 0.00 O ATOM 811 CB SER A 148 70.077 2.227 8.459 1.00 0.00 C ATOM 812 OG SER A 148 70.471 1.882 9.781 1.00 0.00 O ATOM 0 H SER A 148 69.283 4.610 9.979 1.00 0.00 H new ATOM 0 HA SER A 148 68.430 3.249 7.528 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.829 1.328 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.900 2.714 7.937 1.00 0.00 H new ATOM 0 HG SER A 148 71.245 1.282 9.746 1.00 0.00 H new ATOM 818 N SER A 149 66.802 1.958 8.898 1.00 0.00 N ATOM 819 CA SER A 149 65.746 1.318 9.679 1.00 0.00 C ATOM 820 C SER A 149 65.637 -0.154 9.277 1.00 0.00 C ATOM 821 O SER A 149 66.189 -0.540 8.246 1.00 0.00 O ATOM 822 CB SER A 149 64.409 2.023 9.433 1.00 0.00 C ATOM 823 OG SER A 149 64.343 2.470 8.084 1.00 0.00 O ATOM 0 H SER A 149 66.681 1.881 7.888 1.00 0.00 H new ATOM 0 HA SER A 149 65.991 1.389 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.584 1.342 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.303 2.869 10.112 1.00 0.00 H new ATOM 0 HG SER A 149 63.486 2.919 7.930 1.00 0.00 H new ATOM 829 N PRO A 150 64.966 -0.987 10.047 1.00 0.00 N ATOM 830 CA PRO A 150 64.817 -2.434 9.689 1.00 0.00 C ATOM 831 C PRO A 150 64.436 -2.638 8.223 1.00 0.00 C ATOM 832 O PRO A 150 65.008 -3.482 7.531 1.00 0.00 O ATOM 833 CB PRO A 150 63.706 -2.927 10.617 1.00 0.00 C ATOM 834 CG PRO A 150 63.794 -2.053 11.820 1.00 0.00 C ATOM 835 CD PRO A 150 64.304 -0.695 11.337 1.00 0.00 C ATOM 0 HA PRO A 150 65.753 -2.979 9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.729 -2.846 10.141 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.847 -3.975 10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.820 -1.953 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.470 -2.480 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.486 0.015 11.212 1.00 0.00 H new ATOM 0 HD3 PRO A 150 65.001 -0.256 12.051 1.00 0.00 H new ATOM 843 N GLU A 151 63.492 -1.835 7.743 1.00 0.00 N ATOM 844 CA GLU A 151 63.087 -1.909 6.344 1.00 0.00 C ATOM 845 C GLU A 151 64.284 -1.651 5.433 1.00 0.00 C ATOM 846 O GLU A 151 64.524 -2.391 4.480 1.00 0.00 O ATOM 847 CB GLU A 151 61.994 -0.875 6.059 1.00 0.00 C ATOM 848 CG GLU A 151 60.761 -1.187 6.909 1.00 0.00 C ATOM 849 CD GLU A 151 59.625 -0.237 6.548 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.682 0.909 6.964 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.714 -0.667 5.861 1.00 0.00 O ATOM 0 H GLU A 151 62.998 -1.133 8.295 1.00 0.00 H new ATOM 0 HA GLU A 151 62.698 -2.908 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.359 0.127 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.732 -0.889 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.449 -2.219 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 151 61.005 -1.090 7.967 1.00 0.00 H new ATOM 858 N CYS A 152 65.056 -0.617 5.752 1.00 0.00 N ATOM 859 CA CYS A 152 66.223 -0.274 4.946 1.00 0.00 C ATOM 860 C CYS A 152 67.189 -1.454 4.874 1.00 0.00 C ATOM 861 O CYS A 152 67.749 -1.749 3.821 1.00 0.00 O ATOM 862 CB CYS A 152 66.944 0.933 5.547 1.00 0.00 C ATOM 863 SG CYS A 152 65.803 2.336 5.627 1.00 0.00 S ATOM 0 H CYS A 152 64.897 -0.007 6.554 1.00 0.00 H new ATOM 0 HA CYS A 152 65.882 -0.029 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.311 0.692 6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.813 1.191 4.941 1.00 0.00 H new ATOM 0 HG CYS A 152 64.990 2.178 6.629 1.00 0.00 H new ATOM 869 N MET A 153 67.371 -2.136 6.000 1.00 0.00 N ATOM 870 CA MET A 153 68.306 -3.253 6.064 1.00 0.00 C ATOM 871 C MET A 153 67.926 -4.324 5.050 1.00 0.00 C ATOM 872 O MET A 153 68.772 -4.825 4.311 1.00 0.00 O ATOM 873 CB MET A 153 68.305 -3.855 7.473 1.00 0.00 C ATOM 874 CG MET A 153 68.801 -2.821 8.487 1.00 0.00 C ATOM 875 SD MET A 153 69.618 -3.672 9.861 1.00 0.00 S ATOM 876 CE MET A 153 71.093 -4.207 8.959 1.00 0.00 C ATOM 0 H MET A 153 66.887 -1.937 6.875 1.00 0.00 H new ATOM 0 HA MET A 153 69.304 -2.883 5.829 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.299 -4.181 7.737 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.944 -4.738 7.500 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.495 -2.130 8.009 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.965 -2.228 8.857 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.246 -5.275 9.113 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.961 -4.009 7.895 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.962 -3.659 9.325 1.00 0.00 H new ATOM 886 N GLU A 154 66.640 -4.657 5.002 1.00 0.00 N ATOM 887 CA GLU A 154 66.161 -5.661 4.057 1.00 0.00 C ATOM 888 C GLU A 154 66.488 -5.237 2.628 1.00 0.00 C ATOM 889 O GLU A 154 66.973 -6.030 1.822 1.00 0.00 O ATOM 890 CB GLU A 154 64.649 -5.844 4.206 1.00 0.00 C ATOM 891 CG GLU A 154 64.342 -6.441 5.580 1.00 0.00 C ATOM 892 CD GLU A 154 62.851 -6.742 5.697 1.00 0.00 C ATOM 893 OE1 GLU A 154 62.089 -5.803 5.867 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.493 -7.905 5.613 1.00 0.00 O ATOM 0 H GLU A 154 65.918 -4.252 5.598 1.00 0.00 H new ATOM 0 HA GLU A 154 66.659 -6.607 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.143 -4.885 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.272 -6.499 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.918 -7.355 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.644 -5.746 6.363 1.00 0.00 H new ATOM 901 N LEU A 155 66.245 -3.968 2.331 1.00 0.00 N ATOM 902 CA LEU A 155 66.519 -3.435 1.001 1.00 0.00 C ATOM 903 C LEU A 155 67.990 -3.626 0.640 1.00 0.00 C ATOM 904 O LEU A 155 68.327 -4.022 -0.476 1.00 0.00 O ATOM 905 CB LEU A 155 66.153 -1.948 0.969 1.00 0.00 C ATOM 906 CG LEU A 155 64.657 -1.793 1.265 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.312 -0.313 1.430 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.833 -2.374 0.114 1.00 0.00 C ATOM 0 H LEU A 155 65.860 -3.290 2.989 1.00 0.00 H new ATOM 0 HA LEU A 155 65.918 -3.973 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.741 -1.400 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.389 -1.524 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 155 64.424 -2.329 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.248 -0.209 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.888 0.105 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.555 0.222 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.771 -2.260 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.073 -1.845 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.067 -3.432 -0.003 1.00 0.00 H new ATOM 920 N TYR A 156 68.864 -3.373 1.604 1.00 0.00 N ATOM 921 CA TYR A 156 70.298 -3.520 1.389 1.00 0.00 C ATOM 922 C TYR A 156 70.629 -4.952 0.981 1.00 0.00 C ATOM 923 O TYR A 156 71.352 -5.187 0.014 1.00 0.00 O ATOM 924 CB TYR A 156 71.040 -3.152 2.677 1.00 0.00 C ATOM 925 CG TYR A 156 72.536 -3.357 2.618 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.271 -2.864 1.535 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.186 -4.040 3.652 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.657 -3.053 1.487 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.572 -4.230 3.605 1.00 0.00 C ATOM 930 CZ TYR A 156 75.308 -3.735 2.522 1.00 0.00 C ATOM 931 OH TYR A 156 76.674 -3.921 2.475 1.00 0.00 O ATOM 0 H TYR A 156 68.606 -3.065 2.542 1.00 0.00 H new ATOM 0 HA TYR A 156 70.613 -2.854 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.838 -2.107 2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.636 -3.747 3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.769 -2.338 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.617 -4.421 4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.225 -2.672 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 156 75.073 -4.758 4.403 1.00 0.00 H new ATOM 0 HH TYR A 156 76.965 -4.412 3.272 1.00 0.00 H new ATOM 941 N MET A 157 70.070 -5.907 1.711 1.00 0.00 N ATOM 942 CA MET A 157 70.324 -7.318 1.435 1.00 0.00 C ATOM 943 C MET A 157 69.939 -7.658 -0.003 1.00 0.00 C ATOM 944 O MET A 157 70.678 -8.341 -0.713 1.00 0.00 O ATOM 945 CB MET A 157 69.521 -8.180 2.411 1.00 0.00 C ATOM 946 CG MET A 157 69.852 -9.660 2.201 1.00 0.00 C ATOM 947 SD MET A 157 68.914 -10.658 3.384 1.00 0.00 S ATOM 948 CE MET A 157 67.264 -10.300 2.733 1.00 0.00 C ATOM 0 H MET A 157 69.441 -5.734 2.495 1.00 0.00 H new ATOM 0 HA MET A 157 71.387 -7.520 1.563 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.749 -7.890 3.437 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.454 -8.013 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.607 -9.958 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.921 -9.828 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.665 -11.211 2.738 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.783 -9.546 3.356 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.349 -9.927 1.712 1.00 0.00 H new ATOM 958 N GLU A 158 68.793 -7.148 -0.436 1.00 0.00 N ATOM 959 CA GLU A 158 68.303 -7.438 -1.778 1.00 0.00 C ATOM 960 C GLU A 158 69.312 -6.975 -2.821 1.00 0.00 C ATOM 961 O GLU A 158 69.701 -7.737 -3.706 1.00 0.00 O ATOM 962 CB GLU A 158 66.964 -6.735 -2.012 1.00 0.00 C ATOM 963 CG GLU A 158 65.907 -7.325 -1.076 1.00 0.00 C ATOM 964 CD GLU A 158 64.544 -6.713 -1.376 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.329 -5.575 -0.991 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.733 -7.389 -1.987 1.00 0.00 O ATOM 0 H GLU A 158 68.190 -6.537 0.116 1.00 0.00 H new ATOM 0 HA GLU A 158 68.165 -8.515 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.067 -5.665 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.654 -6.856 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.864 -8.407 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.180 -7.133 -0.038 1.00 0.00 H new ATOM 973 N ALA A 159 69.764 -5.733 -2.690 1.00 0.00 N ATOM 974 CA ALA A 159 70.698 -5.170 -3.661 1.00 0.00 C ATOM 975 C ALA A 159 71.962 -6.021 -3.740 1.00 0.00 C ATOM 976 O ALA A 159 72.482 -6.285 -4.825 1.00 0.00 O ATOM 977 CB ALA A 159 71.069 -3.738 -3.273 1.00 0.00 C ATOM 0 H ALA A 159 69.504 -5.103 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 159 70.212 -5.162 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.766 -3.331 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.169 -3.123 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.537 -3.737 -2.288 1.00 0.00 H new ATOM 983 N LEU A 160 72.441 -6.477 -2.586 1.00 0.00 N ATOM 984 CA LEU A 160 73.651 -7.291 -2.541 1.00 0.00 C ATOM 985 C LEU A 160 73.493 -8.528 -3.416 1.00 0.00 C ATOM 986 O LEU A 160 74.400 -8.895 -4.161 1.00 0.00 O ATOM 987 CB LEU A 160 73.941 -7.725 -1.103 1.00 0.00 C ATOM 988 CG LEU A 160 74.311 -6.504 -0.258 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.363 -6.902 1.219 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.682 -5.981 -0.694 1.00 0.00 C ATOM 0 H LEU A 160 72.014 -6.299 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 160 74.481 -6.691 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.067 -8.220 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.756 -8.449 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 160 73.562 -5.724 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.627 -6.032 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.387 -7.276 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.112 -7.681 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.947 -5.111 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.430 -6.761 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.646 -5.698 -1.746 1.00 0.00 H new ATOM 1002 N GLN A 161 72.332 -9.164 -3.317 1.00 0.00 N ATOM 1003 CA GLN A 161 72.051 -10.337 -4.135 1.00 0.00 C ATOM 1004 C GLN A 161 72.130 -9.978 -5.615 1.00 0.00 C ATOM 1005 O GLN A 161 72.766 -10.677 -6.403 1.00 0.00 O ATOM 1006 CB GLN A 161 70.657 -10.879 -3.811 1.00 0.00 C ATOM 1007 CG GLN A 161 70.627 -11.386 -2.368 1.00 0.00 C ATOM 1008 CD GLN A 161 69.222 -11.855 -2.001 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.241 -11.433 -2.613 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.066 -12.709 -1.026 1.00 0.00 N ATOM 0 H GLN A 161 71.578 -8.892 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 161 72.795 -11.103 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.911 -10.097 -3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.401 -11.687 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.334 -12.207 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.942 -10.593 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.879 -13.058 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.131 -13.027 -0.771 1.00 0.00 H new ATOM 1019 N ARG A 162 71.536 -8.846 -5.973 1.00 0.00 N ATOM 1020 CA ARG A 162 71.475 -8.426 -7.369 1.00 0.00 C ATOM 1021 C ARG A 162 72.868 -8.356 -7.985 1.00 0.00 C ATOM 1022 O ARG A 162 73.079 -8.787 -9.118 1.00 0.00 O ATOM 1023 CB ARG A 162 70.818 -7.046 -7.463 1.00 0.00 C ATOM 1024 CG ARG A 162 69.401 -7.093 -6.874 1.00 0.00 C ATOM 1025 CD ARG A 162 68.507 -6.066 -7.572 1.00 0.00 C ATOM 1026 NE ARG A 162 67.178 -6.046 -6.953 1.00 0.00 N ATOM 1027 CZ ARG A 162 66.186 -6.880 -7.300 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.331 -7.788 -8.235 1.00 0.00 N ATOM 1029 NH2 ARG A 162 65.037 -6.784 -6.688 1.00 0.00 N ATOM 0 H ARG A 162 71.090 -8.203 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 162 70.887 -9.162 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.419 -6.312 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.777 -6.725 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 162 68.982 -8.092 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.437 -6.888 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 162 68.960 -5.077 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.419 -6.310 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 162 66.998 -5.361 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 162 67.221 -7.877 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.554 -8.405 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 162 64.905 -6.083 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 162 64.272 -7.410 -6.939 1.00 0.00 H new ATOM 1043 N ILE A 163 73.815 -7.808 -7.231 1.00 0.00 N ATOM 1044 CA ILE A 163 75.162 -7.579 -7.761 1.00 0.00 C ATOM 1045 C ILE A 163 76.116 -8.759 -7.542 1.00 0.00 C ATOM 1046 O ILE A 163 77.328 -8.607 -7.699 1.00 0.00 O ATOM 1047 CB ILE A 163 75.764 -6.310 -7.152 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.751 -6.398 -5.623 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.951 -5.094 -7.602 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.689 -5.335 -5.048 1.00 0.00 C ATOM 0 H ILE A 163 73.682 -7.516 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 163 75.047 -7.463 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 163 76.795 -6.209 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.739 -6.248 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.067 -7.391 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.379 -4.190 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.975 -5.022 -8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.919 -5.203 -7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.683 -5.394 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.701 -5.506 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.353 -4.346 -5.359 1.00 0.00 H new ATOM 1062 N GLY A 164 75.588 -9.927 -7.183 1.00 0.00 N ATOM 1063 CA GLY A 164 76.409 -11.130 -7.079 1.00 0.00 C ATOM 1064 C GLY A 164 77.314 -11.131 -5.845 1.00 0.00 C ATOM 1065 O GLY A 164 78.363 -11.775 -5.848 1.00 0.00 O ATOM 0 H GLY A 164 74.602 -10.065 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.760 -12.005 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.024 -11.222 -7.974 1.00 0.00 H new ATOM 1069 N ARG A 165 76.916 -10.416 -4.795 1.00 0.00 N ATOM 1070 CA ARG A 165 77.664 -10.441 -3.542 1.00 0.00 C ATOM 1071 C ARG A 165 77.027 -11.435 -2.575 1.00 0.00 C ATOM 1072 O ARG A 165 76.200 -11.064 -1.743 1.00 0.00 O ATOM 1073 CB ARG A 165 77.693 -9.050 -2.904 1.00 0.00 C ATOM 1074 CG ARG A 165 78.549 -8.109 -3.755 1.00 0.00 C ATOM 1075 CD ARG A 165 78.831 -6.829 -2.966 1.00 0.00 C ATOM 1076 NE ARG A 165 79.444 -5.816 -3.830 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.683 -5.926 -4.336 1.00 0.00 C ATOM 1078 NH1 ARG A 165 81.455 -6.955 -4.080 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.137 -4.973 -5.102 1.00 0.00 N ATOM 0 H ARG A 165 76.089 -9.819 -4.786 1.00 0.00 H new ATOM 0 HA ARG A 165 78.687 -10.749 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.680 -8.658 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.098 -9.111 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.485 -8.596 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.033 -7.870 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 165 77.903 -6.443 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.493 -7.050 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 165 78.901 -4.984 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 165 81.120 -7.707 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 165 82.391 -7.003 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 165 80.553 -4.162 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 165 82.076 -5.039 -5.496 1.00 0.00 H new