USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 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 -148:sc= 0.461 USER MOD Set 1.2: A 172 GLN : amide:sc= 0.413 K(o=0.87,f=-1.1) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.89) USER MOD Single : A 144 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.82) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00633) USER MOD Single : A 148 ASN : amide:sc= -0.14 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 -140:sc= -0.928 USER MOD Single : A 152 SER OG : rot -94:sc= 1.32 USER MOD Single : A 154 MET CE :methyl -161:sc= -1.12 (180deg=-2.37!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0115 (180deg=-0.0115) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.52) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 58:sc= -2.09 USER MOD Single : A 168 LYS NZ :NH3+ 177:sc= -1.35! (180deg=-1.39!) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 170 ASN : amide:sc= -0.0556 K(o=-0.056,f=-0.92) USER MOD Single : A 176 GLN : amide:sc= -0.609 K(o=-0.61,f=-2.6!) USER MOD Single : A 180 THR OG1 : rot -28:sc= 1.19 USER MOD Single : A 185 MET CE :methyl -154:sc= -2.78! (180deg=-3.7!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 139:sc= -5.75! (180deg=-9.65!) USER MOD Single : A 190 THR OG1 : rot 41:sc= 0.873 USER MOD Single : A 192 MET CE :methyl -146:sc= -0.269 (180deg=-1.42!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.116 -1.261 -4.885 1.00 0.00 N ATOM 92 CA THR A 133 62.099 -0.932 -5.884 1.00 0.00 C ATOM 93 C THR A 133 61.410 -2.175 -6.420 1.00 0.00 C ATOM 94 O THR A 133 60.203 -2.172 -6.602 1.00 0.00 O ATOM 95 CB THR A 133 62.747 -0.168 -7.043 1.00 0.00 C ATOM 96 OG1 THR A 133 63.663 -1.022 -7.715 1.00 0.00 O ATOM 97 CG2 THR A 133 63.492 1.063 -6.511 1.00 0.00 C ATOM 0 HA THR A 133 61.344 -0.313 -5.399 1.00 0.00 H new ATOM 0 HB THR A 133 61.971 0.158 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.404 -0.490 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.949 1.599 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.790 1.720 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.267 0.746 -5.814 1.00 0.00 H new ATOM 105 N GLN A 134 62.164 -3.255 -6.602 1.00 0.00 N ATOM 106 CA GLN A 134 61.612 -4.472 -7.204 1.00 0.00 C ATOM 107 C GLN A 134 60.356 -4.948 -6.466 1.00 0.00 C ATOM 108 O GLN A 134 59.336 -5.239 -7.097 1.00 0.00 O ATOM 109 CB GLN A 134 62.663 -5.581 -7.204 1.00 0.00 C ATOM 110 CG GLN A 134 63.795 -5.212 -8.163 1.00 0.00 C ATOM 111 CD GLN A 134 64.799 -6.357 -8.251 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.579 -7.322 -8.983 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.894 -6.307 -7.542 1.00 0.00 N ATOM 0 H GLN A 134 63.149 -3.316 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 134 61.330 -4.235 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 134 63.057 -5.723 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.210 -6.526 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.389 -4.996 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.294 -4.306 -7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 134 66.073 -5.506 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.570 -7.069 -7.594 1.00 0.00 H new ATOM 122 N LEU A 135 60.400 -4.945 -5.133 1.00 0.00 N ATOM 123 CA LEU A 135 59.275 -5.449 -4.345 1.00 0.00 C ATOM 124 C LEU A 135 57.998 -4.652 -4.603 1.00 0.00 C ATOM 125 O LEU A 135 56.973 -5.222 -4.981 1.00 0.00 O ATOM 126 CB LEU A 135 59.604 -5.357 -2.862 1.00 0.00 C ATOM 127 CG LEU A 135 60.682 -6.371 -2.497 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.162 -6.083 -1.077 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.093 -7.781 -2.562 1.00 0.00 C ATOM 0 H LEU A 135 61.189 -4.605 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 135 59.109 -6.484 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.945 -4.350 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.707 -5.541 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 135 61.517 -6.298 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.934 -6.801 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.571 -5.074 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.324 -6.168 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.862 -8.509 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.264 -7.862 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.733 -7.979 -3.572 1.00 0.00 H new ATOM 141 N PHE A 136 58.064 -3.333 -4.403 1.00 0.00 N ATOM 142 CA PHE A 136 56.924 -2.471 -4.715 1.00 0.00 C ATOM 143 C PHE A 136 56.753 -2.144 -6.200 1.00 0.00 C ATOM 144 O PHE A 136 55.628 -1.914 -6.646 1.00 0.00 O ATOM 145 CB PHE A 136 56.820 -1.236 -3.808 1.00 0.00 C ATOM 146 CG PHE A 136 58.094 -0.681 -3.231 1.00 0.00 C ATOM 147 CD1 PHE A 136 59.065 -0.036 -4.027 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.267 -0.767 -1.835 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.219 0.515 -3.408 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.413 -0.222 -1.223 1.00 0.00 C ATOM 151 CZ PHE A 136 60.391 0.420 -2.009 1.00 0.00 C ATOM 0 H PHE A 136 58.880 -2.846 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 136 56.059 -3.089 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.336 -0.442 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.157 -1.484 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.932 0.038 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.516 -1.254 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.968 1.009 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.542 -0.296 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.271 0.839 -1.543 1.00 0.00 H new ATOM 161 N ALA A 137 57.836 -2.153 -6.973 1.00 0.00 N ATOM 162 CA ALA A 137 57.719 -1.939 -8.426 1.00 0.00 C ATOM 163 C ALA A 137 56.785 -2.985 -9.051 1.00 0.00 C ATOM 164 O ALA A 137 56.196 -2.754 -10.107 1.00 0.00 O ATOM 165 CB ALA A 137 59.092 -2.014 -9.097 1.00 0.00 C ATOM 0 H ALA A 137 58.787 -2.302 -6.635 1.00 0.00 H new ATOM 0 HA ALA A 137 57.301 -0.945 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.982 -1.853 -10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.743 -1.246 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.530 -2.996 -8.920 1.00 0.00 H new ATOM 171 N ASP A 138 56.661 -4.136 -8.384 1.00 0.00 N ATOM 172 CA ASP A 138 55.607 -5.111 -8.694 1.00 0.00 C ATOM 173 C ASP A 138 54.224 -4.440 -8.677 1.00 0.00 C ATOM 174 O ASP A 138 53.985 -3.538 -7.873 1.00 0.00 O ATOM 175 CB ASP A 138 55.650 -6.230 -7.636 1.00 0.00 C ATOM 176 CG ASP A 138 54.790 -7.435 -8.032 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.042 -7.334 -8.987 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.897 -8.449 -7.364 1.00 0.00 O ATOM 0 H ASP A 138 57.279 -4.418 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 138 55.776 -5.521 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.681 -6.553 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.304 -5.837 -6.680 1.00 0.00 H new ATOM 183 N PRO A 139 53.322 -4.846 -9.546 1.00 0.00 N ATOM 184 CA PRO A 139 51.872 -4.518 -9.379 1.00 0.00 C ATOM 185 C PRO A 139 51.291 -5.164 -8.127 1.00 0.00 C ATOM 186 O PRO A 139 51.882 -6.090 -7.569 1.00 0.00 O ATOM 187 CB PRO A 139 51.196 -5.064 -10.648 1.00 0.00 C ATOM 188 CG PRO A 139 52.205 -5.949 -11.293 1.00 0.00 C ATOM 189 CD PRO A 139 53.567 -5.397 -10.892 1.00 0.00 C ATOM 0 HA PRO A 139 51.713 -3.447 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.290 -5.618 -10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.903 -4.253 -11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.089 -6.980 -10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 139 52.088 -5.949 -12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.329 -6.176 -10.876 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.911 -4.629 -11.585 1.00 0.00 H new ATOM 197 N ASN A 140 50.092 -4.711 -7.743 1.00 0.00 N ATOM 198 CA ASN A 140 49.527 -4.905 -6.387 1.00 0.00 C ATOM 199 C ASN A 140 50.507 -5.477 -5.350 1.00 0.00 C ATOM 200 O ASN A 140 50.485 -6.678 -5.063 1.00 0.00 O ATOM 201 CB ASN A 140 48.309 -5.839 -6.479 1.00 0.00 C ATOM 202 CG ASN A 140 47.321 -5.337 -7.531 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.220 -4.133 -7.770 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.597 -6.198 -8.192 1.00 0.00 N ATOM 0 H ASN A 140 49.473 -4.192 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 140 49.261 -3.909 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.636 -6.847 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.816 -5.898 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.946 -5.874 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.682 -7.195 -7.993 1.00 0.00 H new ATOM 211 N LEU A 141 51.386 -4.632 -4.810 1.00 0.00 N ATOM 212 CA LEU A 141 52.005 -4.944 -3.521 1.00 0.00 C ATOM 213 C LEU A 141 51.468 -4.018 -2.414 1.00 0.00 C ATOM 214 O LEU A 141 51.539 -4.360 -1.233 1.00 0.00 O ATOM 215 CB LEU A 141 53.529 -4.787 -3.623 1.00 0.00 C ATOM 216 CG LEU A 141 54.201 -5.316 -2.347 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.083 -6.847 -2.281 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.677 -4.909 -2.337 1.00 0.00 C ATOM 0 H LEU A 141 51.680 -3.750 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 141 51.757 -5.974 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.901 -5.331 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.785 -3.738 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 141 53.701 -4.887 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.563 -7.210 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.031 -7.131 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.572 -7.287 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.152 -5.285 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.176 -5.329 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.755 -3.822 -2.363 1.00 0.00 H new ATOM 230 N ILE A 142 50.801 -2.922 -2.801 1.00 0.00 N ATOM 231 CA ILE A 142 50.252 -1.995 -1.813 1.00 0.00 C ATOM 232 C ILE A 142 49.127 -2.658 -1.007 1.00 0.00 C ATOM 233 O ILE A 142 48.955 -2.353 0.172 1.00 0.00 O ATOM 234 CB ILE A 142 49.784 -0.681 -2.497 1.00 0.00 C ATOM 235 CG1 ILE A 142 51.009 0.237 -2.720 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.759 0.061 -1.613 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.595 1.503 -3.492 1.00 0.00 C ATOM 0 H ILE A 142 50.633 -2.662 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 142 51.039 -1.732 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 142 49.314 -0.931 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.444 0.514 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.778 -0.300 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.445 0.978 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.891 -0.578 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.216 0.307 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.467 2.139 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.182 1.220 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.842 2.047 -2.922 1.00 0.00 H new ATOM 249 N GLU A 143 48.391 -3.592 -1.614 1.00 0.00 N ATOM 250 CA GLU A 143 47.221 -4.169 -0.941 1.00 0.00 C ATOM 251 C GLU A 143 47.633 -4.944 0.311 1.00 0.00 C ATOM 252 O GLU A 143 47.130 -4.694 1.409 1.00 0.00 O ATOM 253 CB GLU A 143 46.500 -5.121 -1.896 1.00 0.00 C ATOM 254 CG GLU A 143 45.818 -4.314 -3.001 1.00 0.00 C ATOM 255 CD GLU A 143 45.014 -5.238 -3.914 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.465 -6.347 -4.156 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.956 -4.821 -4.359 1.00 0.00 O ATOM 0 H GLU A 143 48.576 -3.959 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 143 46.561 -3.352 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.210 -5.825 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.761 -5.709 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.160 -3.565 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.567 -3.777 -3.584 1.00 0.00 H new ATOM 264 N ASN A 144 48.633 -5.811 0.165 1.00 0.00 N ATOM 265 CA ASN A 144 49.214 -6.511 1.314 1.00 0.00 C ATOM 266 C ASN A 144 49.678 -5.512 2.376 1.00 0.00 C ATOM 267 O ASN A 144 49.540 -5.751 3.576 1.00 0.00 O ATOM 268 CB ASN A 144 50.405 -7.352 0.846 1.00 0.00 C ATOM 269 CG ASN A 144 49.967 -8.338 -0.237 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.819 -8.786 -0.247 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.808 -8.672 -1.179 1.00 0.00 N ATOM 0 H ASN A 144 49.058 -6.046 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 144 48.454 -7.157 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.189 -6.701 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.830 -7.894 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.515 -9.304 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.758 -8.301 -1.170 1.00 0.00 H new ATOM 278 N LEU A 145 50.227 -4.397 1.909 1.00 0.00 N ATOM 279 CA LEU A 145 50.653 -3.321 2.799 1.00 0.00 C ATOM 280 C LEU A 145 49.476 -2.676 3.529 1.00 0.00 C ATOM 281 O LEU A 145 49.672 -2.024 4.552 1.00 0.00 O ATOM 282 CB LEU A 145 51.461 -2.274 2.034 1.00 0.00 C ATOM 283 CG LEU A 145 52.671 -2.947 1.371 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.458 -1.906 0.577 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.581 -3.574 2.438 1.00 0.00 C ATOM 0 H LEU A 145 50.388 -4.213 0.919 1.00 0.00 H new ATOM 0 HA LEU A 145 51.294 -3.766 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.836 -1.798 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.794 -1.489 2.713 1.00 0.00 H new ATOM 0 HG LEU A 145 52.319 -3.732 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.318 -2.382 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.817 -1.473 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.802 -1.120 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.435 -4.048 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.933 -2.798 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.021 -4.322 3.000 1.00 0.00 H new ATOM 297 N LYS A 146 48.282 -2.739 2.940 1.00 0.00 N ATOM 298 CA LYS A 146 47.088 -2.221 3.610 1.00 0.00 C ATOM 299 C LYS A 146 46.831 -2.951 4.938 1.00 0.00 C ATOM 300 O LYS A 146 46.601 -2.314 5.968 1.00 0.00 O ATOM 301 CB LYS A 146 45.853 -2.382 2.717 1.00 0.00 C ATOM 302 CG LYS A 146 46.049 -1.602 1.417 1.00 0.00 C ATOM 303 CD LYS A 146 44.757 -1.642 0.597 1.00 0.00 C ATOM 304 CE LYS A 146 43.711 -0.738 1.251 1.00 0.00 C ATOM 305 NZ LYS A 146 42.540 -0.593 0.338 1.00 0.00 N ATOM 0 H LYS A 146 48.116 -3.137 2.015 1.00 0.00 H new ATOM 0 HA LYS A 146 47.266 -1.164 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.687 -3.437 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.966 -2.021 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.320 -0.570 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.870 -2.032 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.951 -1.313 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.383 -2.664 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.393 -1.162 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.142 0.240 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.828 0.022 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.850 -0.171 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.124 -1.529 0.155 1.00 0.00 H new ATOM 319 N LYS A 147 46.836 -4.288 4.899 1.00 0.00 N ATOM 320 CA LYS A 147 46.264 -5.058 6.014 1.00 0.00 C ATOM 321 C LYS A 147 47.218 -5.288 7.207 1.00 0.00 C ATOM 322 O LYS A 147 46.803 -5.095 8.351 1.00 0.00 O ATOM 323 CB LYS A 147 45.790 -6.416 5.493 1.00 0.00 C ATOM 324 CG LYS A 147 44.642 -6.212 4.503 1.00 0.00 C ATOM 325 CD LYS A 147 44.094 -7.572 4.068 1.00 0.00 C ATOM 326 CE LYS A 147 43.031 -7.373 2.987 1.00 0.00 C ATOM 327 NZ LYS A 147 43.695 -7.165 1.670 1.00 0.00 N ATOM 0 H LYS A 147 47.216 -4.847 4.135 1.00 0.00 H new ATOM 0 HA LYS A 147 45.443 -4.453 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.614 -6.939 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.461 -7.041 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.851 -5.620 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.992 -5.655 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.902 -8.196 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.664 -8.093 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 147 42.375 -8.243 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.406 -6.514 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 42.972 -7.063 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 44.277 -6.304 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 44.300 -7.983 1.453 1.00 0.00 H new ATOM 341 N ASN A 148 48.482 -5.684 6.966 1.00 0.00 N ATOM 342 CA ASN A 148 49.313 -6.150 8.100 1.00 0.00 C ATOM 343 C ASN A 148 50.381 -5.147 8.586 1.00 0.00 C ATOM 344 O ASN A 148 50.867 -5.284 9.711 1.00 0.00 O ATOM 345 CB ASN A 148 50.021 -7.446 7.672 1.00 0.00 C ATOM 346 CG ASN A 148 50.762 -8.077 8.851 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.154 -8.753 9.681 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.049 -7.890 8.969 1.00 0.00 N ATOM 0 H ASN A 148 48.934 -5.694 6.052 1.00 0.00 H new ATOM 0 HA ASN A 148 48.632 -6.290 8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.290 -8.151 7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.725 -7.232 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.555 -8.305 9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.548 -7.329 8.279 1.00 0.00 H new ATOM 355 N PRO A 149 50.761 -4.167 7.800 1.00 0.00 N ATOM 356 CA PRO A 149 51.782 -3.176 8.242 1.00 0.00 C ATOM 357 C PRO A 149 51.204 -1.793 8.527 1.00 0.00 C ATOM 358 O PRO A 149 50.254 -1.357 7.878 1.00 0.00 O ATOM 359 CB PRO A 149 52.750 -3.129 7.070 1.00 0.00 C ATOM 360 CG PRO A 149 51.929 -3.441 5.863 1.00 0.00 C ATOM 361 CD PRO A 149 50.633 -4.116 6.340 1.00 0.00 C ATOM 0 HA PRO A 149 52.241 -3.468 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.216 -2.147 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.554 -3.854 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.704 -2.530 5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.476 -4.099 5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.754 -3.546 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.526 -5.114 5.916 1.00 0.00 H new ATOM 369 N LYS A 150 51.838 -1.083 9.466 1.00 0.00 N ATOM 370 CA LYS A 150 51.468 0.308 9.762 1.00 0.00 C ATOM 371 C LYS A 150 51.585 1.194 8.511 1.00 0.00 C ATOM 372 O LYS A 150 50.979 2.263 8.444 1.00 0.00 O ATOM 373 CB LYS A 150 52.369 0.883 10.865 1.00 0.00 C ATOM 374 CG LYS A 150 52.410 -0.067 12.066 1.00 0.00 C ATOM 375 CD LYS A 150 53.101 0.628 13.242 1.00 0.00 C ATOM 376 CE LYS A 150 53.263 -0.361 14.397 1.00 0.00 C ATOM 377 NZ LYS A 150 54.320 0.130 15.327 1.00 0.00 N ATOM 0 H LYS A 150 52.606 -1.445 10.032 1.00 0.00 H new ATOM 0 HA LYS A 150 50.431 0.303 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.377 1.035 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.996 1.859 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.398 -0.360 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.945 -0.980 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.076 1.005 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.514 1.488 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 150 52.318 -0.473 14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 150 53.531 -1.345 14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 54.431 -0.542 16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 55.221 0.215 14.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 54.047 1.060 15.703 1.00 0.00 H new ATOM 391 N THR A 151 52.337 0.726 7.506 1.00 0.00 N ATOM 392 CA THR A 151 52.533 1.480 6.262 1.00 0.00 C ATOM 393 C THR A 151 51.182 1.820 5.596 1.00 0.00 C ATOM 394 O THR A 151 51.056 2.810 4.860 1.00 0.00 O ATOM 395 CB THR A 151 53.394 0.643 5.300 1.00 0.00 C ATOM 396 OG1 THR A 151 52.701 -0.551 4.969 1.00 0.00 O ATOM 397 CG2 THR A 151 54.728 0.289 5.966 1.00 0.00 C ATOM 0 H THR A 151 52.820 -0.172 7.531 1.00 0.00 H new ATOM 0 HA THR A 151 53.036 2.418 6.496 1.00 0.00 H new ATOM 0 HB THR A 151 53.588 1.220 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.333 -1.300 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.332 -0.304 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.262 1.205 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.541 -0.286 6.873 1.00 0.00 H new ATOM 405 N SER A 152 50.143 1.061 5.949 1.00 0.00 N ATOM 406 CA SER A 152 48.824 1.245 5.345 1.00 0.00 C ATOM 407 C SER A 152 48.237 2.628 5.629 1.00 0.00 C ATOM 408 O SER A 152 47.335 3.078 4.916 1.00 0.00 O ATOM 409 CB SER A 152 47.878 0.187 5.899 1.00 0.00 C ATOM 410 OG SER A 152 48.096 0.047 7.295 1.00 0.00 O ATOM 0 H SER A 152 50.189 0.318 6.646 1.00 0.00 H new ATOM 0 HA SER A 152 48.939 1.150 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.843 0.472 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.045 -0.766 5.396 1.00 0.00 H new ATOM 0 HG SER A 152 48.726 -0.686 7.456 1.00 0.00 H new ATOM 416 N GLU A 153 48.779 3.333 6.625 1.00 0.00 N ATOM 417 CA GLU A 153 48.300 4.675 6.936 1.00 0.00 C ATOM 418 C GLU A 153 48.420 5.576 5.707 1.00 0.00 C ATOM 419 O GLU A 153 47.419 6.115 5.225 1.00 0.00 O ATOM 420 CB GLU A 153 49.105 5.262 8.096 1.00 0.00 C ATOM 421 CG GLU A 153 48.709 4.559 9.397 1.00 0.00 C ATOM 422 CD GLU A 153 49.300 5.293 10.599 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.437 5.727 10.510 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.604 5.410 11.594 1.00 0.00 O ATOM 0 H GLU A 153 49.538 3.001 7.220 1.00 0.00 H new ATOM 0 HA GLU A 153 47.251 4.615 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.172 5.137 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.919 6.333 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.623 4.523 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.062 3.528 9.383 1.00 0.00 H new ATOM 431 N MET A 154 49.600 5.564 5.082 1.00 0.00 N ATOM 432 CA MET A 154 49.854 6.468 3.966 1.00 0.00 C ATOM 433 C MET A 154 48.966 6.122 2.784 1.00 0.00 C ATOM 434 O MET A 154 48.676 6.985 1.954 1.00 0.00 O ATOM 435 CB MET A 154 51.305 6.402 3.503 1.00 0.00 C ATOM 436 CG MET A 154 52.234 6.844 4.629 1.00 0.00 C ATOM 437 SD MET A 154 53.923 7.010 3.991 1.00 0.00 S ATOM 438 CE MET A 154 54.115 5.320 3.368 1.00 0.00 C ATOM 0 H MET A 154 50.378 4.951 5.325 1.00 0.00 H new ATOM 0 HA MET A 154 49.636 7.474 4.324 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.551 5.386 3.196 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.447 7.042 2.632 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.895 7.794 5.042 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.210 6.117 5.441 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.174 5.098 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.680 4.618 4.080 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.606 5.226 2.409 1.00 0.00 H new ATOM 448 N MET A 155 48.595 4.843 2.646 1.00 0.00 N ATOM 449 CA MET A 155 47.804 4.421 1.493 1.00 0.00 C ATOM 450 C MET A 155 46.392 5.007 1.538 1.00 0.00 C ATOM 451 O MET A 155 45.861 5.440 0.514 1.00 0.00 O ATOM 452 CB MET A 155 47.709 2.888 1.455 1.00 0.00 C ATOM 453 CG MET A 155 49.115 2.270 1.437 1.00 0.00 C ATOM 454 SD MET A 155 49.954 2.678 -0.118 1.00 0.00 S ATOM 455 CE MET A 155 51.639 2.311 0.430 1.00 0.00 C ATOM 0 H MET A 155 48.826 4.100 3.305 1.00 0.00 H new ATOM 0 HA MET A 155 48.304 4.788 0.597 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.157 2.529 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.154 2.572 0.572 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.695 2.642 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 155 49.047 1.188 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.336 2.497 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.894 2.949 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.704 1.266 0.732 1.00 0.00 H new ATOM 465 N LYS A 156 45.787 5.019 2.729 1.00 0.00 N ATOM 466 CA LYS A 156 44.354 5.280 2.842 1.00 0.00 C ATOM 467 C LYS A 156 44.036 6.776 2.941 1.00 0.00 C ATOM 468 O LYS A 156 42.894 7.181 2.716 1.00 0.00 O ATOM 469 CB LYS A 156 43.820 4.575 4.088 1.00 0.00 C ATOM 470 CG LYS A 156 43.840 3.061 3.869 1.00 0.00 C ATOM 471 CD LYS A 156 43.207 2.362 5.072 1.00 0.00 C ATOM 472 CE LYS A 156 43.301 0.845 4.890 1.00 0.00 C ATOM 473 NZ LYS A 156 42.264 0.180 5.727 1.00 0.00 N ATOM 0 H LYS A 156 46.262 4.853 3.616 1.00 0.00 H new ATOM 0 HA LYS A 156 43.877 4.902 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.428 4.835 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.804 4.909 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.295 2.807 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.865 2.716 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.715 2.661 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.164 2.663 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 156 43.159 0.584 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.293 0.495 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.327 -0.851 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 42.419 0.419 6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.321 0.506 5.435 1.00 0.00 H new ATOM 487 N ASP A 157 45.041 7.590 3.276 1.00 0.00 N ATOM 488 CA ASP A 157 44.831 9.040 3.359 1.00 0.00 C ATOM 489 C ASP A 157 45.681 9.803 2.330 1.00 0.00 C ATOM 490 O ASP A 157 45.165 10.210 1.287 1.00 0.00 O ATOM 491 CB ASP A 157 45.120 9.531 4.788 1.00 0.00 C ATOM 492 CG ASP A 157 43.821 9.659 5.582 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.103 10.618 5.352 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.567 8.797 6.407 1.00 0.00 O ATOM 0 H ASP A 157 45.989 7.280 3.490 1.00 0.00 H new ATOM 0 HA ASP A 157 43.787 9.244 3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.792 8.835 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.628 10.495 4.752 1.00 0.00 H new ATOM 499 N PRO A 158 46.954 9.997 2.582 1.00 0.00 N ATOM 500 CA PRO A 158 47.743 11.073 1.899 1.00 0.00 C ATOM 501 C PRO A 158 47.890 10.874 0.388 1.00 0.00 C ATOM 502 O PRO A 158 47.923 9.750 -0.111 1.00 0.00 O ATOM 503 CB PRO A 158 49.113 11.032 2.585 1.00 0.00 C ATOM 504 CG PRO A 158 49.218 9.664 3.158 1.00 0.00 C ATOM 505 CD PRO A 158 47.797 9.266 3.546 1.00 0.00 C ATOM 0 HA PRO A 158 47.234 12.033 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.916 11.224 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.187 11.792 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.635 8.967 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.878 9.653 4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.648 8.189 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.568 9.549 4.573 1.00 0.00 H new ATOM 513 N GLN A 159 48.129 11.989 -0.307 1.00 0.00 N ATOM 514 CA GLN A 159 48.406 11.972 -1.748 1.00 0.00 C ATOM 515 C GLN A 159 49.666 11.155 -2.075 1.00 0.00 C ATOM 516 O GLN A 159 49.858 10.731 -3.219 1.00 0.00 O ATOM 517 CB GLN A 159 48.579 13.401 -2.266 1.00 0.00 C ATOM 518 CG GLN A 159 47.206 14.042 -2.488 1.00 0.00 C ATOM 519 CD GLN A 159 46.509 13.390 -3.679 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.112 13.233 -4.741 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.269 13.002 -3.566 1.00 0.00 N ATOM 0 H GLN A 159 48.136 12.921 0.107 1.00 0.00 H new ATOM 0 HA GLN A 159 47.556 11.499 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.154 13.990 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.142 13.394 -3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.595 13.930 -1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.320 15.112 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.772 13.133 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.796 12.567 -4.359 1.00 0.00 H new ATOM 530 N LEU A 160 50.494 10.896 -1.057 1.00 0.00 N ATOM 531 CA LEU A 160 51.816 10.315 -1.281 1.00 0.00 C ATOM 532 C LEU A 160 51.710 8.994 -2.053 1.00 0.00 C ATOM 533 O LEU A 160 52.659 8.586 -2.718 1.00 0.00 O ATOM 534 CB LEU A 160 52.507 10.064 0.063 1.00 0.00 C ATOM 535 CG LEU A 160 53.995 9.779 -0.167 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.702 11.058 -0.621 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.624 9.287 1.139 1.00 0.00 C ATOM 0 H LEU A 160 50.272 11.079 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 160 52.402 11.019 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.389 10.932 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.040 9.221 0.571 1.00 0.00 H new ATOM 0 HG LEU A 160 54.102 9.015 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.760 10.851 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.254 11.411 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.596 11.824 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.683 9.083 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.514 10.053 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.124 8.374 1.463 1.00 0.00 H new ATOM 549 N VAL A 161 50.544 8.335 -1.972 1.00 0.00 N ATOM 550 CA VAL A 161 50.321 7.074 -2.686 1.00 0.00 C ATOM 551 C VAL A 161 50.516 7.265 -4.191 1.00 0.00 C ATOM 552 O VAL A 161 51.360 6.614 -4.801 1.00 0.00 O ATOM 553 CB VAL A 161 48.893 6.558 -2.440 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.791 5.102 -2.906 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.541 6.629 -0.949 1.00 0.00 C ATOM 0 H VAL A 161 49.747 8.654 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 161 51.044 6.350 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 161 48.197 7.184 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.780 4.734 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 161 49.021 5.044 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.500 4.491 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.527 6.260 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.240 6.016 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.606 7.663 -0.609 1.00 0.00 H new ATOM 565 N ALA A 162 49.779 8.217 -4.768 1.00 0.00 N ATOM 566 CA ALA A 162 49.805 8.428 -6.218 1.00 0.00 C ATOM 567 C ALA A 162 51.220 8.783 -6.662 1.00 0.00 C ATOM 568 O ALA A 162 51.817 8.103 -7.501 1.00 0.00 O ATOM 569 CB ALA A 162 48.858 9.572 -6.591 1.00 0.00 C ATOM 0 H ALA A 162 49.162 8.849 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 162 49.486 7.513 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 162 48.880 9.726 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 162 47.844 9.320 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.175 10.485 -6.088 1.00 0.00 H new ATOM 575 N LYS A 163 51.802 9.755 -5.956 1.00 0.00 N ATOM 576 CA LYS A 163 53.158 10.214 -6.258 1.00 0.00 C ATOM 577 C LYS A 163 54.128 9.030 -6.264 1.00 0.00 C ATOM 578 O LYS A 163 54.752 8.732 -7.285 1.00 0.00 O ATOM 579 CB LYS A 163 53.610 11.240 -5.214 1.00 0.00 C ATOM 580 CG LYS A 163 52.685 12.461 -5.256 1.00 0.00 C ATOM 581 CD LYS A 163 52.920 13.242 -6.552 1.00 0.00 C ATOM 582 CE LYS A 163 52.134 14.554 -6.507 1.00 0.00 C ATOM 583 NZ LYS A 163 52.263 15.254 -7.816 1.00 0.00 N ATOM 0 H LYS A 163 51.357 10.237 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 163 53.156 10.680 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.593 10.793 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.638 11.544 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.644 12.143 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 163 52.873 13.102 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 163 53.983 13.447 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.606 12.647 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.084 14.355 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.510 15.188 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 51.729 16.146 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.266 15.457 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 51.884 14.649 -8.572 1.00 0.00 H new ATOM 597 N LEU A 164 54.086 8.241 -5.190 1.00 0.00 N ATOM 598 CA LEU A 164 54.959 7.078 -5.056 1.00 0.00 C ATOM 599 C LEU A 164 54.751 6.094 -6.205 1.00 0.00 C ATOM 600 O LEU A 164 55.711 5.572 -6.753 1.00 0.00 O ATOM 601 CB LEU A 164 54.677 6.366 -3.729 1.00 0.00 C ATOM 602 CG LEU A 164 55.398 7.087 -2.588 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.912 6.528 -1.249 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.907 6.860 -2.713 1.00 0.00 C ATOM 0 H LEU A 164 53.456 8.387 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 164 55.991 7.429 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.604 6.346 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.010 5.330 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 164 55.185 8.155 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.424 7.040 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.837 6.685 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.128 5.461 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.421 7.374 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.120 5.792 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.256 7.252 -3.668 1.00 0.00 H new ATOM 616 N ILE A 165 53.493 5.903 -6.609 1.00 0.00 N ATOM 617 CA ILE A 165 53.154 4.835 -7.550 1.00 0.00 C ATOM 618 C ILE A 165 53.900 5.023 -8.872 1.00 0.00 C ATOM 619 O ILE A 165 54.406 4.055 -9.451 1.00 0.00 O ATOM 620 CB ILE A 165 51.622 4.757 -7.743 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.029 4.064 -6.506 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.266 3.941 -9.002 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.503 4.171 -6.507 1.00 0.00 C ATOM 0 H ILE A 165 52.701 6.468 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 165 53.477 3.879 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 165 51.218 5.762 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.325 3.015 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.430 4.519 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.183 3.901 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.705 4.416 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.658 2.929 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.103 3.674 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.212 5.221 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.105 3.694 -7.403 1.00 0.00 H new ATOM 635 N GLY A 166 54.085 6.276 -9.281 1.00 0.00 N ATOM 636 CA GLY A 166 54.948 6.557 -10.422 1.00 0.00 C ATOM 637 C GLY A 166 56.392 6.260 -10.036 1.00 0.00 C ATOM 638 O GLY A 166 57.127 5.580 -10.759 1.00 0.00 O ATOM 0 H GLY A 166 53.659 7.096 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.653 5.947 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.846 7.599 -10.724 1.00 0.00 H new ATOM 642 N TYR A 167 56.767 6.762 -8.862 1.00 0.00 N ATOM 643 CA TYR A 167 58.096 6.538 -8.302 1.00 0.00 C ATOM 644 C TYR A 167 58.377 5.055 -8.017 1.00 0.00 C ATOM 645 O TYR A 167 59.532 4.669 -7.866 1.00 0.00 O ATOM 646 CB TYR A 167 58.229 7.389 -7.031 1.00 0.00 C ATOM 647 CG TYR A 167 59.610 7.466 -6.433 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.634 8.170 -7.111 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.861 6.894 -5.165 1.00 0.00 C ATOM 650 CE1 TYR A 167 61.916 8.290 -6.526 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.144 7.011 -4.577 1.00 0.00 C ATOM 652 CZ TYR A 167 62.174 7.710 -5.262 1.00 0.00 C ATOM 653 OH TYR A 167 63.431 7.819 -4.697 1.00 0.00 O ATOM 0 H TYR A 167 56.160 7.334 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 167 58.843 6.838 -9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 167 57.895 8.401 -7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.549 6.991 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.436 8.615 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.074 6.368 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.698 8.825 -7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.339 6.570 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 167 63.669 8.766 -4.608 1.00 0.00 H new ATOM 663 N LYS A 168 57.327 4.235 -7.917 1.00 0.00 N ATOM 664 CA LYS A 168 57.502 2.785 -7.771 1.00 0.00 C ATOM 665 C LYS A 168 58.017 2.161 -9.070 1.00 0.00 C ATOM 666 O LYS A 168 59.025 1.452 -9.077 1.00 0.00 O ATOM 667 CB LYS A 168 56.167 2.116 -7.419 1.00 0.00 C ATOM 668 CG LYS A 168 55.732 2.485 -5.997 1.00 0.00 C ATOM 669 CD LYS A 168 54.285 2.018 -5.763 1.00 0.00 C ATOM 670 CE LYS A 168 54.262 0.587 -5.235 1.00 0.00 C ATOM 671 NZ LYS A 168 54.374 0.604 -3.750 1.00 0.00 N ATOM 0 H LYS A 168 56.355 4.545 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 168 58.227 2.625 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.401 2.426 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.263 1.034 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.397 2.019 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 168 55.805 3.563 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 168 53.793 2.682 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 168 53.723 2.077 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.338 0.092 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.084 0.016 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.307 -0.368 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 55.289 1.015 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.604 1.177 -3.350 1.00 0.00 H new ATOM 685 N GLN A 169 57.310 2.440 -10.165 1.00 0.00 N ATOM 686 CA GLN A 169 57.457 1.645 -11.386 1.00 0.00 C ATOM 687 C GLN A 169 58.776 1.926 -12.119 1.00 0.00 C ATOM 688 O GLN A 169 59.505 0.999 -12.473 1.00 0.00 O ATOM 689 CB GLN A 169 56.288 1.933 -12.329 1.00 0.00 C ATOM 690 CG GLN A 169 54.982 1.467 -11.682 1.00 0.00 C ATOM 691 CD GLN A 169 53.813 1.696 -12.635 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.964 1.554 -13.850 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.650 2.041 -12.156 1.00 0.00 N ATOM 0 H GLN A 169 56.636 3.203 -10.233 1.00 0.00 H new ATOM 0 HA GLN A 169 57.463 0.597 -11.087 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.238 3.000 -12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.439 1.420 -13.279 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.051 0.410 -11.426 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.814 2.010 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 169 52.527 2.158 -11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 169 51.863 2.194 -12.787 1.00 0.00 H new ATOM 702 N ASN A 170 59.076 3.208 -12.338 1.00 0.00 N ATOM 703 CA ASN A 170 60.153 3.585 -13.270 1.00 0.00 C ATOM 704 C ASN A 170 61.506 3.869 -12.583 1.00 0.00 C ATOM 705 O ASN A 170 62.550 3.478 -13.109 1.00 0.00 O ATOM 706 CB ASN A 170 59.729 4.827 -14.055 1.00 0.00 C ATOM 707 CG ASN A 170 60.551 4.941 -15.334 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.828 3.935 -15.987 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.963 6.114 -15.733 1.00 0.00 N ATOM 0 H ASN A 170 58.601 3.994 -11.894 1.00 0.00 H new ATOM 0 HA ASN A 170 60.306 2.727 -13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.668 4.769 -14.299 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.867 5.719 -13.443 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.515 6.197 -16.587 1.00 0.00 H new ATOM 0 HD22 ASN A 170 60.733 6.947 -15.191 1.00 0.00 H new ATOM 716 N PRO A 171 61.523 4.513 -11.434 1.00 0.00 N ATOM 717 CA PRO A 171 62.772 5.116 -10.889 1.00 0.00 C ATOM 718 C PRO A 171 63.438 4.292 -9.788 1.00 0.00 C ATOM 719 O PRO A 171 63.088 4.401 -8.614 1.00 0.00 O ATOM 720 CB PRO A 171 62.326 6.471 -10.363 1.00 0.00 C ATOM 721 CG PRO A 171 60.909 6.289 -9.964 1.00 0.00 C ATOM 722 CD PRO A 171 60.364 5.057 -10.704 1.00 0.00 C ATOM 0 HA PRO A 171 63.539 5.174 -11.661 1.00 0.00 H new ATOM 0 HB2 PRO A 171 62.936 6.784 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.423 7.241 -11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.831 6.152 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.325 7.174 -10.216 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.957 4.325 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.559 5.330 -11.387 1.00 0.00 H new ATOM 730 N GLN A 172 64.443 3.498 -10.171 1.00 0.00 N ATOM 731 CA GLN A 172 65.290 2.777 -9.193 1.00 0.00 C ATOM 732 C GLN A 172 65.759 3.678 -8.022 1.00 0.00 C ATOM 733 O GLN A 172 66.193 3.176 -6.981 1.00 0.00 O ATOM 734 CB GLN A 172 66.517 2.193 -9.900 1.00 0.00 C ATOM 735 CG GLN A 172 66.073 1.206 -10.982 1.00 0.00 C ATOM 736 CD GLN A 172 65.492 -0.052 -10.343 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.973 -0.501 -9.303 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.479 -0.651 -10.907 1.00 0.00 N ATOM 0 H GLN A 172 64.696 3.333 -11.145 1.00 0.00 H new ATOM 0 HA GLN A 172 64.675 1.983 -8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.106 2.994 -10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.159 1.689 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.328 1.673 -11.626 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.921 0.943 -11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 172 64.081 -0.278 -11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 172 64.085 -1.492 -10.486 1.00 0.00 H new ATOM 747 N ALA A 173 65.596 4.999 -8.166 1.00 0.00 N ATOM 748 CA ALA A 173 66.075 5.958 -7.175 1.00 0.00 C ATOM 749 C ALA A 173 65.444 5.736 -5.787 1.00 0.00 C ATOM 750 O ALA A 173 65.907 6.319 -4.807 1.00 0.00 O ATOM 751 CB ALA A 173 65.727 7.370 -7.645 1.00 0.00 C ATOM 0 H ALA A 173 65.132 5.426 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 173 67.152 5.821 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.080 8.095 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.206 7.562 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.646 7.461 -7.754 1.00 0.00 H new ATOM 757 N ILE A 174 64.424 4.862 -5.685 1.00 0.00 N ATOM 758 CA ILE A 174 63.679 4.720 -4.426 1.00 0.00 C ATOM 759 C ILE A 174 64.616 4.331 -3.277 1.00 0.00 C ATOM 760 O ILE A 174 64.359 4.670 -2.121 1.00 0.00 O ATOM 761 CB ILE A 174 62.577 3.656 -4.557 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.703 3.966 -5.799 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.726 3.668 -3.275 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.444 3.085 -5.840 1.00 0.00 C ATOM 0 H ILE A 174 64.105 4.258 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 174 63.223 5.685 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 174 63.017 2.667 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.412 5.016 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.288 3.808 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.939 2.918 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.358 3.442 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.277 4.653 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.856 3.331 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.735 2.035 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.846 3.263 -4.946 1.00 0.00 H new ATOM 776 N GLY A 175 65.709 3.633 -3.605 1.00 0.00 N ATOM 777 CA GLY A 175 66.631 3.129 -2.586 1.00 0.00 C ATOM 778 C GLY A 175 67.147 4.257 -1.685 1.00 0.00 C ATOM 779 O GLY A 175 67.449 4.036 -0.511 1.00 0.00 O ATOM 0 H GLY A 175 65.974 3.406 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.127 2.378 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.473 2.634 -3.069 1.00 0.00 H new ATOM 783 N GLN A 176 67.244 5.466 -2.246 1.00 0.00 N ATOM 784 CA GLN A 176 67.762 6.612 -1.506 1.00 0.00 C ATOM 785 C GLN A 176 66.658 7.322 -0.726 1.00 0.00 C ATOM 786 O GLN A 176 66.911 7.900 0.332 1.00 0.00 O ATOM 787 CB GLN A 176 68.413 7.602 -2.476 1.00 0.00 C ATOM 788 CG GLN A 176 69.575 6.922 -3.202 1.00 0.00 C ATOM 789 CD GLN A 176 70.780 6.811 -2.272 1.00 0.00 C ATOM 790 OE1 GLN A 176 70.747 6.059 -1.299 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.847 7.521 -2.517 1.00 0.00 N ATOM 0 H GLN A 176 66.971 5.672 -3.207 1.00 0.00 H new ATOM 0 HA GLN A 176 68.500 6.243 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.677 7.956 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.772 8.476 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 176 69.273 5.930 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.843 7.493 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 176 71.871 8.144 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 176 72.657 7.453 -1.901 1.00 0.00 H new ATOM 800 N ASP A 177 65.436 7.272 -1.256 1.00 0.00 N ATOM 801 CA ASP A 177 64.339 8.026 -0.667 1.00 0.00 C ATOM 802 C ASP A 177 63.820 7.357 0.602 1.00 0.00 C ATOM 803 O ASP A 177 63.159 8.009 1.407 1.00 0.00 O ATOM 804 CB ASP A 177 63.192 8.231 -1.669 1.00 0.00 C ATOM 805 CG ASP A 177 63.384 9.531 -2.467 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.256 10.311 -2.117 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.626 9.744 -3.400 1.00 0.00 O ATOM 0 H ASP A 177 65.187 6.725 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 177 64.735 9.006 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.146 7.384 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.241 8.263 -1.137 1.00 0.00 H new ATOM 812 N LEU A 178 64.100 6.057 0.786 1.00 0.00 N ATOM 813 CA LEU A 178 63.730 5.390 2.041 1.00 0.00 C ATOM 814 C LEU A 178 64.335 6.159 3.229 1.00 0.00 C ATOM 815 O LEU A 178 63.684 6.374 4.251 1.00 0.00 O ATOM 816 CB LEU A 178 64.249 3.938 2.088 1.00 0.00 C ATOM 817 CG LEU A 178 63.956 3.152 0.798 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.724 1.833 0.859 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.462 2.834 0.687 1.00 0.00 C ATOM 0 H LEU A 178 64.568 5.462 0.102 1.00 0.00 H new ATOM 0 HA LEU A 178 62.642 5.376 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.325 3.948 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.792 3.422 2.933 1.00 0.00 H new ATOM 0 HG LEU A 178 64.257 3.750 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.531 1.258 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.792 2.037 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.398 1.262 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.276 2.278 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.153 2.234 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.892 3.763 0.671 1.00 0.00 H new ATOM 831 N PHE A 179 65.599 6.558 3.061 1.00 0.00 N ATOM 832 CA PHE A 179 66.303 7.375 4.054 1.00 0.00 C ATOM 833 C PHE A 179 65.507 8.635 4.421 1.00 0.00 C ATOM 834 O PHE A 179 65.514 9.070 5.574 1.00 0.00 O ATOM 835 CB PHE A 179 67.669 7.778 3.500 1.00 0.00 C ATOM 836 CG PHE A 179 68.640 6.626 3.394 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.395 6.229 4.524 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.796 5.943 2.163 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.305 5.149 4.425 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.708 4.863 2.062 1.00 0.00 C ATOM 841 CZ PHE A 179 70.461 4.467 3.194 1.00 0.00 C ATOM 0 H PHE A 179 66.159 6.326 2.241 1.00 0.00 H new ATOM 0 HA PHE A 179 66.422 6.779 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.535 8.222 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.099 8.548 4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.277 6.750 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.220 6.245 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.880 4.846 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.829 4.343 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.155 3.643 3.118 1.00 0.00 H new ATOM 851 N THR A 180 64.824 9.210 3.431 1.00 0.00 N ATOM 852 CA THR A 180 64.021 10.419 3.654 1.00 0.00 C ATOM 853 C THR A 180 62.581 10.065 4.051 1.00 0.00 C ATOM 854 O THR A 180 61.898 10.853 4.706 1.00 0.00 O ATOM 855 CB THR A 180 64.004 11.290 2.390 1.00 0.00 C ATOM 856 OG1 THR A 180 63.239 10.644 1.381 1.00 0.00 O ATOM 857 CG2 THR A 180 65.434 11.510 1.886 1.00 0.00 C ATOM 0 H THR A 180 64.808 8.863 2.472 1.00 0.00 H new ATOM 0 HA THR A 180 64.480 10.974 4.472 1.00 0.00 H new ATOM 0 HB THR A 180 63.557 12.256 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.279 9.673 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.412 12.129 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.019 12.010 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.889 10.548 1.652 1.00 0.00 H new ATOM 865 N ASP A 181 62.132 8.874 3.647 1.00 0.00 N ATOM 866 CA ASP A 181 60.761 8.441 3.913 1.00 0.00 C ATOM 867 C ASP A 181 60.739 7.341 4.981 1.00 0.00 C ATOM 868 O ASP A 181 61.195 6.225 4.725 1.00 0.00 O ATOM 869 CB ASP A 181 60.121 7.918 2.625 1.00 0.00 C ATOM 870 CG ASP A 181 58.601 8.117 2.651 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.075 8.464 3.697 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.985 7.923 1.617 1.00 0.00 O ATOM 0 H ASP A 181 62.697 8.195 3.136 1.00 0.00 H new ATOM 0 HA ASP A 181 60.194 9.297 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.545 8.438 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.351 6.860 2.503 1.00 0.00 H new ATOM 877 N PRO A 182 60.198 7.612 6.155 1.00 0.00 N ATOM 878 CA PRO A 182 60.253 6.632 7.283 1.00 0.00 C ATOM 879 C PRO A 182 59.431 5.374 7.003 1.00 0.00 C ATOM 880 O PRO A 182 59.940 4.257 7.116 1.00 0.00 O ATOM 881 CB PRO A 182 59.684 7.403 8.479 1.00 0.00 C ATOM 882 CG PRO A 182 58.830 8.470 7.890 1.00 0.00 C ATOM 883 CD PRO A 182 59.456 8.831 6.545 1.00 0.00 C ATOM 0 HA PRO A 182 61.268 6.272 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.103 6.748 9.128 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.482 7.829 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.806 8.120 7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.789 9.340 8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.696 9.088 5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.120 9.691 6.632 1.00 0.00 H new ATOM 891 N ARG A 183 58.161 5.560 6.637 1.00 0.00 N ATOM 892 CA ARG A 183 57.243 4.428 6.492 1.00 0.00 C ATOM 893 C ARG A 183 57.656 3.505 5.346 1.00 0.00 C ATOM 894 O ARG A 183 57.540 2.287 5.470 1.00 0.00 O ATOM 895 CB ARG A 183 55.809 4.913 6.264 1.00 0.00 C ATOM 896 CG ARG A 183 55.380 5.804 7.435 1.00 0.00 C ATOM 897 CD ARG A 183 53.895 6.141 7.305 1.00 0.00 C ATOM 898 NE ARG A 183 53.296 6.359 8.622 1.00 0.00 N ATOM 899 CZ ARG A 183 53.560 7.445 9.363 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.395 8.369 8.951 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.967 7.585 10.516 1.00 0.00 N ATOM 0 H ARG A 183 57.749 6.471 6.438 1.00 0.00 H new ATOM 0 HA ARG A 183 57.289 3.863 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.746 5.468 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.135 4.061 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.566 5.294 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.972 6.719 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.772 7.034 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.376 5.330 6.794 1.00 0.00 H new ATOM 0 HE ARG A 183 52.653 5.658 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.860 8.270 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.579 9.186 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.313 6.874 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.157 8.406 11.091 1.00 0.00 H new ATOM 915 N LEU A 184 58.190 4.073 4.255 1.00 0.00 N ATOM 916 CA LEU A 184 58.610 3.257 3.098 1.00 0.00 C ATOM 917 C LEU A 184 59.526 2.114 3.547 1.00 0.00 C ATOM 918 O LEU A 184 59.465 1.005 3.014 1.00 0.00 O ATOM 919 CB LEU A 184 59.348 4.120 2.062 1.00 0.00 C ATOM 920 CG LEU A 184 58.350 4.754 1.083 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.077 5.763 0.189 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.726 3.664 0.202 1.00 0.00 C ATOM 0 H LEU A 184 58.341 5.076 4.146 1.00 0.00 H new ATOM 0 HA LEU A 184 57.712 2.841 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.916 4.901 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.065 3.508 1.515 1.00 0.00 H new ATOM 0 HG LEU A 184 57.568 5.260 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.367 6.212 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.522 6.542 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.860 5.254 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.018 4.118 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.510 3.157 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.205 2.942 0.831 1.00 0.00 H new ATOM 934 N MET A 185 60.339 2.381 4.566 1.00 0.00 N ATOM 935 CA MET A 185 61.225 1.356 5.102 1.00 0.00 C ATOM 936 C MET A 185 60.424 0.245 5.785 1.00 0.00 C ATOM 937 O MET A 185 60.671 -0.932 5.546 1.00 0.00 O ATOM 938 CB MET A 185 62.215 1.973 6.086 1.00 0.00 C ATOM 939 CG MET A 185 63.240 2.800 5.314 1.00 0.00 C ATOM 940 SD MET A 185 64.542 3.354 6.441 1.00 0.00 S ATOM 941 CE MET A 185 65.752 3.807 5.175 1.00 0.00 C ATOM 0 H MET A 185 60.402 3.287 5.031 1.00 0.00 H new ATOM 0 HA MET A 185 61.779 0.918 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.689 2.602 6.804 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.716 1.190 6.655 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.671 2.205 4.509 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.755 3.660 4.851 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.757 3.737 5.591 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.662 3.129 4.326 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.567 4.829 4.844 1.00 0.00 H new ATOM 951 N THR A 186 59.381 0.615 6.530 1.00 0.00 N ATOM 952 CA THR A 186 58.560 -0.379 7.237 1.00 0.00 C ATOM 953 C THR A 186 57.927 -1.356 6.236 1.00 0.00 C ATOM 954 O THR A 186 57.808 -2.554 6.506 1.00 0.00 O ATOM 955 CB THR A 186 57.463 0.335 8.043 1.00 0.00 C ATOM 956 OG1 THR A 186 58.061 1.318 8.875 1.00 0.00 O ATOM 957 CG2 THR A 186 56.703 -0.672 8.913 1.00 0.00 C ATOM 0 H THR A 186 59.084 1.582 6.661 1.00 0.00 H new ATOM 0 HA THR A 186 59.196 -0.944 7.919 1.00 0.00 H new ATOM 0 HB THR A 186 56.763 0.806 7.353 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.365 1.778 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.929 -0.153 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.242 -1.428 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.396 -1.152 9.603 1.00 0.00 H new ATOM 965 N ILE A 187 57.552 -0.829 5.069 1.00 0.00 N ATOM 966 CA ILE A 187 57.085 -1.666 3.955 1.00 0.00 C ATOM 967 C ILE A 187 58.145 -2.722 3.608 1.00 0.00 C ATOM 968 O ILE A 187 57.838 -3.904 3.448 1.00 0.00 O ATOM 969 CB ILE A 187 56.817 -0.787 2.718 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.750 0.267 3.046 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.335 -1.662 1.559 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.598 1.242 1.872 1.00 0.00 C ATOM 0 H ILE A 187 57.561 0.171 4.868 1.00 0.00 H new ATOM 0 HA ILE A 187 56.164 -2.166 4.254 1.00 0.00 H new ATOM 0 HB ILE A 187 57.741 -0.284 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.797 -0.220 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.030 0.811 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.146 -1.038 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.099 -2.401 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.415 -2.172 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.839 1.986 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.550 1.741 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.297 0.693 0.980 1.00 0.00 H new ATOM 984 N MET A 188 59.393 -2.272 3.535 1.00 0.00 N ATOM 985 CA MET A 188 60.511 -3.156 3.210 1.00 0.00 C ATOM 986 C MET A 188 60.595 -4.310 4.210 1.00 0.00 C ATOM 987 O MET A 188 60.811 -5.460 3.834 1.00 0.00 O ATOM 988 CB MET A 188 61.817 -2.366 3.244 1.00 0.00 C ATOM 989 CG MET A 188 61.742 -1.171 2.275 1.00 0.00 C ATOM 990 SD MET A 188 62.815 -1.448 0.844 1.00 0.00 S ATOM 991 CE MET A 188 61.559 -2.121 -0.274 1.00 0.00 C ATOM 0 H MET A 188 59.658 -1.300 3.696 1.00 0.00 H new ATOM 0 HA MET A 188 60.349 -3.564 2.212 1.00 0.00 H new ATOM 0 HB2 MET A 188 62.009 -2.011 4.256 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.650 -3.014 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.714 -1.028 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.041 -0.258 2.790 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.708 -1.715 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.645 -3.207 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.567 -1.846 0.085 1.00 0.00 H new ATOM 1001 N ALA A 189 60.410 -3.982 5.485 1.00 0.00 N ATOM 1002 CA ALA A 189 60.457 -4.977 6.567 1.00 0.00 C ATOM 1003 C ALA A 189 59.458 -6.125 6.353 1.00 0.00 C ATOM 1004 O ALA A 189 59.852 -7.289 6.311 1.00 0.00 O ATOM 1005 CB ALA A 189 60.158 -4.291 7.903 1.00 0.00 C ATOM 0 H ALA A 189 60.225 -3.030 5.802 1.00 0.00 H new ATOM 0 HA ALA A 189 61.458 -5.408 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.192 -5.027 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.902 -3.516 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.166 -3.840 7.867 1.00 0.00 H new ATOM 1011 N THR A 190 58.173 -5.795 6.176 1.00 0.00 N ATOM 1012 CA THR A 190 57.137 -6.828 5.975 1.00 0.00 C ATOM 1013 C THR A 190 57.503 -7.753 4.806 1.00 0.00 C ATOM 1014 O THR A 190 57.442 -8.977 4.923 1.00 0.00 O ATOM 1015 CB THR A 190 55.776 -6.169 5.676 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.986 -4.928 5.015 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.988 -5.938 6.968 1.00 0.00 C ATOM 0 H THR A 190 57.824 -4.837 6.167 1.00 0.00 H new ATOM 0 HA THR A 190 57.073 -7.415 6.892 1.00 0.00 H new ATOM 0 HB THR A 190 55.199 -6.836 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.708 -5.025 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.031 -5.472 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.814 -6.893 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.557 -5.284 7.629 1.00 0.00 H new ATOM 1025 N LEU A 191 57.882 -7.143 3.688 1.00 0.00 N ATOM 1026 CA LEU A 191 58.260 -7.895 2.486 1.00 0.00 C ATOM 1027 C LEU A 191 59.418 -8.861 2.766 1.00 0.00 C ATOM 1028 O LEU A 191 59.314 -10.063 2.522 1.00 0.00 O ATOM 1029 CB LEU A 191 58.688 -6.914 1.398 1.00 0.00 C ATOM 1030 CG LEU A 191 57.466 -6.160 0.863 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.891 -4.762 0.401 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.874 -6.935 -0.318 1.00 0.00 C ATOM 0 H LEU A 191 57.937 -6.130 3.584 1.00 0.00 H new ATOM 0 HA LEU A 191 57.397 -8.478 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.415 -6.208 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.179 -7.450 0.586 1.00 0.00 H new ATOM 0 HG LEU A 191 56.717 -6.067 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 191 57.022 -4.225 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.316 -4.214 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.637 -4.851 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 191 56.004 -6.403 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.622 -7.025 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.574 -7.929 0.013 1.00 0.00 H new ATOM 1044 N MET A 192 60.512 -8.313 3.282 1.00 0.00 N ATOM 1045 CA MET A 192 61.729 -9.087 3.522 1.00 0.00 C ATOM 1046 C MET A 192 61.591 -10.043 4.706 1.00 0.00 C ATOM 1047 O MET A 192 62.286 -11.058 4.774 1.00 0.00 O ATOM 1048 CB MET A 192 62.882 -8.133 3.781 1.00 0.00 C ATOM 1049 CG MET A 192 63.288 -7.467 2.465 1.00 0.00 C ATOM 1050 SD MET A 192 64.403 -8.558 1.545 1.00 0.00 S ATOM 1051 CE MET A 192 65.825 -8.432 2.659 1.00 0.00 C ATOM 0 H MET A 192 60.583 -7.330 3.544 1.00 0.00 H new ATOM 0 HA MET A 192 61.915 -9.691 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.588 -7.377 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.728 -8.673 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.402 -7.250 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.779 -6.515 2.665 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.747 -8.481 2.079 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.784 -7.484 3.196 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.801 -9.255 3.374 1.00 0.00 H new ATOM 1061 N GLY A 193 60.694 -9.718 5.631 1.00 0.00 N ATOM 1062 CA GLY A 193 60.639 -10.406 6.915 1.00 0.00 C ATOM 1063 C GLY A 193 59.835 -11.702 6.815 1.00 0.00 C ATOM 1064 O GLY A 193 59.779 -12.479 7.768 1.00 0.00 O ATOM 0 H GLY A 193 59.996 -8.983 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.651 -10.628 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.188 -9.752 7.662 1.00 0.00 H new