USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 320 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 152 THR OG1 : rot 180:sc= 0.891 USER MOD Set 1.2: A 159 THR OG1 : rot 175:sc= 0.158 USER MOD Set 2.1: A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1.36 USER MOD Single : A 142 HIS : no HE2:sc= -8.29! C(o=-8.3!,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 147 SER OG : rot 180:sc= 0.00264 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.241 6.004 -2.213 1.00 0.00 N ATOM 71 CA LEU A 131 -3.008 5.941 -1.445 1.00 0.00 C ATOM 72 C LEU A 131 -3.126 6.752 -0.156 1.00 0.00 C ATOM 73 O LEU A 131 -3.835 7.757 -0.109 1.00 0.00 O ATOM 74 CB LEU A 131 -1.841 6.457 -2.286 1.00 0.00 C ATOM 75 CG LEU A 131 -1.109 5.389 -3.103 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.829 5.890 -4.513 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.184 4.981 -2.415 1.00 0.00 C ATOM 0 HA LEU A 131 -2.824 4.901 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.214 7.222 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.123 6.942 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.752 4.512 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.308 5.116 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.770 6.129 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.208 6.784 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.689 4.221 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.832 5.852 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.041 4.577 -1.428 1.00 0.00 H new ATOM 89 N SER A 132 -2.429 6.309 0.884 1.00 0.00 N ATOM 90 CA SER A 132 -2.459 6.994 2.173 1.00 0.00 C ATOM 91 C SER A 132 -1.226 7.879 2.351 1.00 0.00 C ATOM 92 O SER A 132 -0.186 7.638 1.738 1.00 0.00 O ATOM 93 CB SER A 132 -2.540 5.977 3.312 1.00 0.00 C ATOM 94 OG SER A 132 -3.233 6.513 4.426 1.00 0.00 O ATOM 0 H SER A 132 -1.836 5.479 0.861 1.00 0.00 H new ATOM 0 HA SER A 132 -3.345 7.629 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.046 5.076 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.535 5.682 3.613 1.00 0.00 H new ATOM 0 HG SER A 132 -3.273 5.843 5.140 1.00 0.00 H new ATOM 100 N PRO A 133 -1.328 8.921 3.196 1.00 0.00 N ATOM 101 CA PRO A 133 -0.216 9.843 3.451 1.00 0.00 C ATOM 102 C PRO A 133 1.029 9.126 3.964 1.00 0.00 C ATOM 103 O PRO A 133 2.107 9.240 3.379 1.00 0.00 O ATOM 104 CB PRO A 133 -0.767 10.787 4.526 1.00 0.00 C ATOM 105 CG PRO A 133 -2.249 10.689 4.401 1.00 0.00 C ATOM 106 CD PRO A 133 -2.531 9.280 3.965 1.00 0.00 C ATOM 0 HA PRO A 133 0.102 10.352 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.434 10.490 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.424 11.809 4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.737 10.909 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.628 11.407 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.678 8.616 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.432 9.220 3.355 1.00 0.00 H new ATOM 114 N ALA A 134 0.875 8.388 5.058 1.00 0.00 N ATOM 115 CA ALA A 134 1.987 7.655 5.647 1.00 0.00 C ATOM 116 C ALA A 134 2.429 6.511 4.741 1.00 0.00 C ATOM 117 O ALA A 134 3.621 6.340 4.467 1.00 0.00 O ATOM 118 CB ALA A 134 1.601 7.124 7.020 1.00 0.00 C ATOM 0 H ALA A 134 -0.010 8.282 5.554 1.00 0.00 H new ATOM 0 HA ALA A 134 2.826 8.342 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.442 6.578 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.339 7.957 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.745 6.456 6.924 1.00 0.00 H new ATOM 124 N ILE A 135 1.463 5.729 4.270 1.00 0.00 N ATOM 125 CA ILE A 135 1.767 4.609 3.393 1.00 0.00 C ATOM 126 C ILE A 135 2.530 5.079 2.165 1.00 0.00 C ATOM 127 O ILE A 135 3.509 4.461 1.771 1.00 0.00 O ATOM 128 CB ILE A 135 0.500 3.861 2.941 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.284 3.363 4.157 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.874 2.699 2.025 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.652 2.816 3.814 1.00 0.00 C ATOM 0 H ILE A 135 0.472 5.850 4.480 1.00 0.00 H new ATOM 0 HA ILE A 135 2.383 3.920 3.972 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.136 4.548 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.294 2.586 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.397 4.183 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.030 2.177 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.395 3.081 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.524 2.008 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.149 2.482 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.248 3.597 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.546 1.975 3.129 1.00 0.00 H new ATOM 143 N ARG A 136 2.085 6.178 1.564 1.00 0.00 N ATOM 144 CA ARG A 136 2.754 6.711 0.382 1.00 0.00 C ATOM 145 C ARG A 136 4.248 6.823 0.638 1.00 0.00 C ATOM 146 O ARG A 136 5.065 6.585 -0.252 1.00 0.00 O ATOM 147 CB ARG A 136 2.178 8.078 0.003 1.00 0.00 C ATOM 148 CG ARG A 136 1.038 8.002 -0.998 1.00 0.00 C ATOM 149 CD ARG A 136 1.004 9.228 -1.897 1.00 0.00 C ATOM 150 NE ARG A 136 1.782 9.032 -3.118 1.00 0.00 N ATOM 151 CZ ARG A 136 1.645 9.779 -4.212 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.763 10.771 -4.240 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.391 9.534 -5.280 1.00 0.00 N ATOM 0 H ARG A 136 1.273 6.712 1.872 1.00 0.00 H new ATOM 0 HA ARG A 136 2.585 6.027 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.825 8.577 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.974 8.696 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.147 7.105 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.091 7.913 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -0.029 9.458 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.394 10.088 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 136 2.470 8.279 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.186 10.964 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.662 11.340 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.070 8.773 -5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.286 10.106 -6.118 1.00 0.00 H new ATOM 167 N ARG A 137 4.596 7.151 1.875 1.00 0.00 N ATOM 168 CA ARG A 137 5.990 7.253 2.265 1.00 0.00 C ATOM 169 C ARG A 137 6.594 5.861 2.312 1.00 0.00 C ATOM 170 O ARG A 137 7.718 5.637 1.861 1.00 0.00 O ATOM 171 CB ARG A 137 6.115 7.927 3.631 1.00 0.00 C ATOM 172 CG ARG A 137 7.457 8.604 3.858 1.00 0.00 C ATOM 173 CD ARG A 137 7.554 9.926 3.113 1.00 0.00 C ATOM 174 NE ARG A 137 7.633 11.065 4.028 1.00 0.00 N ATOM 175 CZ ARG A 137 6.573 11.726 4.491 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.346 11.373 4.129 1.00 0.00 N ATOM 177 NH2 ARG A 137 6.742 12.746 5.321 1.00 0.00 N ATOM 0 H ARG A 137 3.931 7.350 2.622 1.00 0.00 H new ATOM 0 HA ARG A 137 6.525 7.861 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.322 8.668 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.958 7.181 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.602 8.776 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.258 7.942 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.434 9.916 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.686 10.041 2.464 1.00 0.00 H new ATOM 0 HE ARG A 137 8.557 11.372 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.208 10.589 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 137 4.541 11.885 4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.682 13.023 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.932 13.254 5.677 1.00 0.00 H new ATOM 191 N LEU A 138 5.824 4.922 2.856 1.00 0.00 N ATOM 192 CA LEU A 138 6.265 3.538 2.959 1.00 0.00 C ATOM 193 C LEU A 138 6.505 2.936 1.575 1.00 0.00 C ATOM 194 O LEU A 138 7.582 2.408 1.299 1.00 0.00 O ATOM 195 CB LEU A 138 5.229 2.702 3.713 1.00 0.00 C ATOM 196 CG LEU A 138 5.610 1.236 3.905 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.841 1.118 4.790 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.452 0.449 4.498 1.00 0.00 C ATOM 0 H LEU A 138 4.892 5.097 3.232 1.00 0.00 H new ATOM 0 HA LEU A 138 7.205 3.527 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.062 3.151 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.282 2.750 3.175 1.00 0.00 H new ATOM 0 HG LEU A 138 5.843 0.814 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.099 0.066 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.675 1.643 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.632 1.560 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.747 -0.592 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.183 0.871 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.594 0.503 3.828 1.00 0.00 H new ATOM 210 N LEU A 139 5.504 3.031 0.702 1.00 0.00 N ATOM 211 CA LEU A 139 5.620 2.502 -0.651 1.00 0.00 C ATOM 212 C LEU A 139 6.768 3.183 -1.375 1.00 0.00 C ATOM 213 O LEU A 139 7.497 2.557 -2.145 1.00 0.00 O ATOM 214 CB LEU A 139 4.314 2.713 -1.420 1.00 0.00 C ATOM 215 CG LEU A 139 3.203 1.713 -1.095 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.837 2.324 -1.372 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.390 0.432 -1.894 1.00 0.00 C ATOM 0 H LEU A 139 4.606 3.469 0.909 1.00 0.00 H new ATOM 0 HA LEU A 139 5.820 1.432 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.948 3.719 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.527 2.662 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 139 3.259 1.467 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.059 1.598 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.704 3.213 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.768 2.599 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.591 -0.268 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.361 0.660 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.353 -0.015 -1.645 1.00 0.00 H new ATOM 229 N ALA A 140 6.928 4.472 -1.105 1.00 0.00 N ATOM 230 CA ALA A 140 8.000 5.248 -1.712 1.00 0.00 C ATOM 231 C ALA A 140 9.354 4.700 -1.281 1.00 0.00 C ATOM 232 O ALA A 140 10.308 4.681 -2.060 1.00 0.00 O ATOM 233 CB ALA A 140 7.873 6.716 -1.334 1.00 0.00 C ATOM 0 H ALA A 140 6.330 5.001 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 140 7.921 5.165 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.682 7.282 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.915 7.100 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.931 6.819 -0.250 1.00 0.00 H new ATOM 239 N GLU A 141 9.425 4.245 -0.033 1.00 0.00 N ATOM 240 CA GLU A 141 10.652 3.683 0.512 1.00 0.00 C ATOM 241 C GLU A 141 10.913 2.302 -0.074 1.00 0.00 C ATOM 242 O GLU A 141 12.014 2.008 -0.540 1.00 0.00 O ATOM 243 CB GLU A 141 10.564 3.594 2.036 1.00 0.00 C ATOM 244 CG GLU A 141 10.528 4.949 2.725 1.00 0.00 C ATOM 245 CD GLU A 141 11.909 5.542 2.918 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.553 5.891 1.906 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.349 5.655 4.081 1.00 0.00 O ATOM 0 H GLU A 141 8.642 4.256 0.621 1.00 0.00 H new ATOM 0 HA GLU A 141 11.479 4.340 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.669 3.034 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.419 3.029 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.921 5.636 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.042 4.846 3.695 1.00 0.00 H new ATOM 254 N HIS A 142 9.887 1.461 -0.048 1.00 0.00 N ATOM 255 CA HIS A 142 9.989 0.107 -0.581 1.00 0.00 C ATOM 256 C HIS A 142 10.100 0.131 -2.103 1.00 0.00 C ATOM 257 O HIS A 142 10.583 -0.822 -2.714 1.00 0.00 O ATOM 258 CB HIS A 142 8.772 -0.722 -0.163 1.00 0.00 C ATOM 259 CG HIS A 142 8.744 -1.062 1.296 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.304 -2.212 1.812 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.210 -0.402 2.351 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.113 -2.244 3.119 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.454 -1.156 3.471 1.00 0.00 N ATOM 0 H HIS A 142 8.972 1.693 0.338 1.00 0.00 H new ATOM 0 HA HIS A 142 10.890 -0.351 -0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.865 -0.172 -0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.757 -1.645 -0.742 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.790 -2.926 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.688 0.543 2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.441 -3.028 3.786 1.00 0.00 H new ATOM 272 N ASN A 143 9.649 1.227 -2.710 1.00 0.00 N ATOM 273 CA ASN A 143 9.696 1.378 -4.162 1.00 0.00 C ATOM 274 C ASN A 143 8.692 0.446 -4.835 1.00 0.00 C ATOM 275 O ASN A 143 9.054 -0.363 -5.690 1.00 0.00 O ATOM 276 CB ASN A 143 11.111 1.104 -4.682 1.00 0.00 C ATOM 277 CG ASN A 143 11.603 2.192 -5.618 1.00 0.00 C ATOM 278 OD1 ASN A 143 10.878 2.636 -6.508 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.842 2.627 -5.419 1.00 0.00 N ATOM 0 H ASN A 143 9.246 2.024 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 143 9.427 2.405 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.795 1.018 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.125 0.147 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.228 3.358 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.408 2.230 -4.669 1.00 0.00 H new ATOM 286 N LEU A 144 7.427 0.564 -4.443 1.00 0.00 N ATOM 287 CA LEU A 144 6.372 -0.269 -5.009 1.00 0.00 C ATOM 288 C LEU A 144 5.245 0.581 -5.580 1.00 0.00 C ATOM 289 O LEU A 144 5.279 1.809 -5.513 1.00 0.00 O ATOM 290 CB LEU A 144 5.811 -1.217 -3.947 1.00 0.00 C ATOM 291 CG LEU A 144 6.846 -1.799 -2.987 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.161 -2.554 -1.858 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.809 -2.709 -3.734 1.00 0.00 C ATOM 0 H LEU A 144 7.108 1.227 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 144 6.811 -0.852 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.059 -0.683 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.301 -2.039 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 144 7.416 -0.978 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.914 -2.962 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.511 -1.874 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.566 -3.368 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.541 -3.116 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.254 -3.526 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.324 -2.138 -4.507 1.00 0.00 H new ATOM 305 N ASP A 145 4.243 -0.089 -6.138 1.00 0.00 N ATOM 306 CA ASP A 145 3.093 0.591 -6.721 1.00 0.00 C ATOM 307 C ASP A 145 1.796 0.076 -6.106 1.00 0.00 C ATOM 308 O ASP A 145 1.588 -1.132 -5.996 1.00 0.00 O ATOM 309 CB ASP A 145 3.069 0.391 -8.238 1.00 0.00 C ATOM 310 CG ASP A 145 2.639 1.643 -8.978 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.920 2.753 -8.481 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.022 1.511 -10.056 1.00 0.00 O ATOM 0 H ASP A 145 4.204 -1.106 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 145 3.181 1.656 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.061 0.093 -8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.389 -0.425 -8.484 1.00 0.00 H new ATOM 317 N ALA A 146 0.928 0.998 -5.703 1.00 0.00 N ATOM 318 CA ALA A 146 -0.349 0.636 -5.095 1.00 0.00 C ATOM 319 C ALA A 146 -1.108 -0.371 -5.953 1.00 0.00 C ATOM 320 O ALA A 146 -1.606 -1.380 -5.452 1.00 0.00 O ATOM 321 CB ALA A 146 -1.193 1.880 -4.867 1.00 0.00 C ATOM 0 H ALA A 146 1.085 2.002 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.143 0.165 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.143 1.597 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.663 2.563 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.379 2.373 -5.821 1.00 0.00 H new ATOM 327 N SER A 147 -1.193 -0.092 -7.249 1.00 0.00 N ATOM 328 CA SER A 147 -1.893 -0.972 -8.179 1.00 0.00 C ATOM 329 C SER A 147 -1.224 -2.344 -8.259 1.00 0.00 C ATOM 330 O SER A 147 -1.822 -3.304 -8.744 1.00 0.00 O ATOM 331 CB SER A 147 -1.942 -0.338 -9.570 1.00 0.00 C ATOM 332 OG SER A 147 -2.260 1.041 -9.492 1.00 0.00 O ATOM 0 H SER A 147 -0.785 0.738 -7.680 1.00 0.00 H new ATOM 0 HA SER A 147 -2.908 -1.110 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.979 -0.465 -10.065 1.00 0.00 H new ATOM 0 HB3 SER A 147 -2.684 -0.851 -10.181 1.00 0.00 H new ATOM 0 HG SER A 147 -2.283 1.423 -10.394 1.00 0.00 H new ATOM 338 N ALA A 148 0.015 -2.433 -7.784 1.00 0.00 N ATOM 339 CA ALA A 148 0.752 -3.691 -7.810 1.00 0.00 C ATOM 340 C ALA A 148 0.550 -4.485 -6.521 1.00 0.00 C ATOM 341 O ALA A 148 0.815 -5.685 -6.476 1.00 0.00 O ATOM 342 CB ALA A 148 2.233 -3.428 -8.045 1.00 0.00 C ATOM 0 H ALA A 148 0.528 -1.651 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 148 0.362 -4.291 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.772 -4.375 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.365 -2.918 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.623 -2.803 -7.242 1.00 0.00 H new ATOM 348 N ILE A 149 0.085 -3.810 -5.473 1.00 0.00 N ATOM 349 CA ILE A 149 -0.143 -4.463 -4.188 1.00 0.00 C ATOM 350 C ILE A 149 -1.614 -4.381 -3.785 1.00 0.00 C ATOM 351 O ILE A 149 -2.385 -3.618 -4.364 1.00 0.00 O ATOM 352 CB ILE A 149 0.727 -3.839 -3.075 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.083 -3.402 -3.639 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.913 -4.829 -1.931 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.032 -2.857 -2.593 1.00 0.00 C ATOM 0 H ILE A 149 -0.140 -2.815 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 149 0.138 -5.509 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 149 0.218 -2.957 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.552 -4.253 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.921 -2.640 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.528 -4.376 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.060 -5.093 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.404 -5.728 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.970 -2.569 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.585 -1.986 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.226 -3.624 -1.843 1.00 0.00 H new ATOM 367 N LYS A 150 -1.995 -5.183 -2.794 1.00 0.00 N ATOM 368 CA LYS A 150 -3.375 -5.216 -2.314 1.00 0.00 C ATOM 369 C LYS A 150 -3.903 -3.813 -2.017 1.00 0.00 C ATOM 370 O LYS A 150 -3.170 -2.830 -2.100 1.00 0.00 O ATOM 371 CB LYS A 150 -3.476 -6.086 -1.059 1.00 0.00 C ATOM 372 CG LYS A 150 -3.401 -7.577 -1.344 1.00 0.00 C ATOM 373 CD LYS A 150 -3.775 -8.396 -0.119 1.00 0.00 C ATOM 374 CE LYS A 150 -4.318 -9.762 -0.507 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.299 -10.274 0.489 1.00 0.00 N ATOM 0 H LYS A 150 -1.366 -5.821 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.990 -5.645 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.673 -5.815 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.416 -5.869 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.070 -7.826 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -2.392 -7.838 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.900 -8.519 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.522 -7.859 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.794 -9.699 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.493 -10.468 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.645 -11.207 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.839 -10.359 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.100 -9.614 0.559 1.00 0.00 H new ATOM 389 N GLY A 151 -5.185 -3.738 -1.671 1.00 0.00 N ATOM 390 CA GLY A 151 -5.809 -2.463 -1.365 1.00 0.00 C ATOM 391 C GLY A 151 -7.108 -2.633 -0.599 1.00 0.00 C ATOM 392 O GLY A 151 -8.192 -2.522 -1.172 1.00 0.00 O ATOM 0 H GLY A 151 -5.806 -4.544 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.120 -1.854 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.003 -1.923 -2.292 1.00 0.00 H new ATOM 396 N THR A 152 -6.998 -2.911 0.697 1.00 0.00 N ATOM 397 CA THR A 152 -8.171 -3.106 1.541 1.00 0.00 C ATOM 398 C THR A 152 -8.588 -1.799 2.210 1.00 0.00 C ATOM 399 O THR A 152 -8.607 -1.693 3.437 1.00 0.00 O ATOM 400 CB THR A 152 -7.888 -4.169 2.603 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.806 -3.778 3.430 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.552 -5.524 2.017 1.00 0.00 C ATOM 0 H THR A 152 -6.107 -3.006 1.185 1.00 0.00 H new ATOM 0 HA THR A 152 -8.991 -3.443 0.907 1.00 0.00 H new ATOM 0 HB THR A 152 -8.811 -4.257 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.642 -4.471 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.362 -6.232 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.388 -5.877 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.663 -5.440 1.392 1.00 0.00 H new ATOM 410 N GLY A 153 -8.926 -0.807 1.393 1.00 0.00 N ATOM 411 CA GLY A 153 -9.343 0.480 1.919 1.00 0.00 C ATOM 412 C GLY A 153 -10.787 0.798 1.590 1.00 0.00 C ATOM 413 O GLY A 153 -11.538 -0.074 1.156 1.00 0.00 O ATOM 0 H GLY A 153 -8.919 -0.871 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.209 0.488 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.700 1.261 1.513 1.00 0.00 H new ATOM 417 N VAL A 154 -11.176 2.053 1.796 1.00 0.00 N ATOM 418 CA VAL A 154 -12.540 2.484 1.513 1.00 0.00 C ATOM 419 C VAL A 154 -12.810 2.483 0.013 1.00 0.00 C ATOM 420 O VAL A 154 -12.919 3.538 -0.612 1.00 0.00 O ATOM 421 CB VAL A 154 -12.812 3.893 2.075 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.284 4.251 1.933 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.373 3.982 3.529 1.00 0.00 C ATOM 0 H VAL A 154 -10.567 2.787 2.157 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.208 1.774 2.001 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.230 4.612 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.456 5.249 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.563 4.231 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.889 3.529 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.573 4.984 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.926 3.253 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.306 3.773 3.600 1.00 0.00 H new ATOM 433 N GLY A 155 -12.910 1.289 -0.561 1.00 0.00 N ATOM 434 CA GLY A 155 -13.158 1.166 -1.985 1.00 0.00 C ATOM 435 C GLY A 155 -12.036 0.447 -2.706 1.00 0.00 C ATOM 436 O GLY A 155 -12.250 -0.154 -3.760 1.00 0.00 O ATOM 0 H GLY A 155 -12.823 0.402 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.092 0.627 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.286 2.159 -2.416 1.00 0.00 H new ATOM 440 N GLY A 156 -10.835 0.506 -2.138 1.00 0.00 N ATOM 441 CA GLY A 156 -9.692 -0.149 -2.745 1.00 0.00 C ATOM 442 C GLY A 156 -8.425 0.679 -2.645 1.00 0.00 C ATOM 443 O GLY A 156 -7.837 1.049 -3.661 1.00 0.00 O ATOM 0 H GLY A 156 -10.634 0.997 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.531 -1.113 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.908 -0.351 -3.794 1.00 0.00 H new ATOM 447 N ARG A 157 -8.005 0.972 -1.417 1.00 0.00 N ATOM 448 CA ARG A 157 -6.800 1.763 -1.192 1.00 0.00 C ATOM 449 C ARG A 157 -5.721 0.933 -0.499 1.00 0.00 C ATOM 450 O ARG A 157 -6.022 0.043 0.296 1.00 0.00 O ATOM 451 CB ARG A 157 -7.136 3.019 -0.373 1.00 0.00 C ATOM 452 CG ARG A 157 -6.854 2.901 1.118 1.00 0.00 C ATOM 453 CD ARG A 157 -7.862 3.692 1.932 1.00 0.00 C ATOM 454 NE ARG A 157 -7.886 3.277 3.332 1.00 0.00 N ATOM 455 CZ ARG A 157 -6.993 3.671 4.238 1.00 0.00 C ATOM 456 NH1 ARG A 157 -6.005 4.489 3.896 1.00 0.00 N ATOM 457 NH2 ARG A 157 -7.090 3.247 5.491 1.00 0.00 N ATOM 0 H ARG A 157 -8.480 0.674 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.407 2.075 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.566 3.859 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.191 3.255 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.885 1.853 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.848 3.262 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.621 4.753 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.855 3.566 1.500 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.631 2.648 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -5.926 4.820 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -5.324 4.787 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.848 2.620 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -6.407 3.548 6.186 1.00 0.00 H new ATOM 471 N LEU A 158 -4.464 1.237 -0.803 1.00 0.00 N ATOM 472 CA LEU A 158 -3.337 0.526 -0.209 1.00 0.00 C ATOM 473 C LEU A 158 -3.307 0.731 1.304 1.00 0.00 C ATOM 474 O LEU A 158 -3.206 1.861 1.782 1.00 0.00 O ATOM 475 CB LEU A 158 -2.024 1.017 -0.827 1.00 0.00 C ATOM 476 CG LEU A 158 -0.880 -0.001 -0.846 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.723 -0.662 0.514 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.111 -1.049 -1.924 1.00 0.00 C ATOM 0 H LEU A 158 -4.199 1.972 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.455 -0.538 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.221 1.334 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -1.693 1.899 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 158 0.043 0.531 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.095 -1.381 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.505 0.098 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.647 -1.177 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.287 -1.762 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.046 -1.574 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.166 -0.563 -2.898 1.00 0.00 H new ATOM 490 N THR A 159 -3.391 -0.365 2.052 1.00 0.00 N ATOM 491 CA THR A 159 -3.368 -0.297 3.510 1.00 0.00 C ATOM 492 C THR A 159 -2.113 -0.966 4.065 1.00 0.00 C ATOM 493 O THR A 159 -1.465 -1.758 3.379 1.00 0.00 O ATOM 494 CB THR A 159 -4.618 -0.961 4.094 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.136 -1.931 3.201 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.728 0.019 4.401 1.00 0.00 C ATOM 0 H THR A 159 -3.475 -1.309 1.674 1.00 0.00 H new ATOM 0 HA THR A 159 -3.356 0.754 3.800 1.00 0.00 H new ATOM 0 HB THR A 159 -4.291 -1.419 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.885 -2.399 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.584 -0.517 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.376 0.752 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.026 0.530 3.485 1.00 0.00 H new ATOM 504 N ARG A 160 -1.778 -0.648 5.313 1.00 0.00 N ATOM 505 CA ARG A 160 -0.600 -1.222 5.954 1.00 0.00 C ATOM 506 C ARG A 160 -0.663 -2.744 5.917 1.00 0.00 C ATOM 507 O ARG A 160 0.354 -3.416 5.739 1.00 0.00 O ATOM 508 CB ARG A 160 -0.491 -0.738 7.401 1.00 0.00 C ATOM 509 CG ARG A 160 -0.163 0.742 7.524 1.00 0.00 C ATOM 510 CD ARG A 160 1.315 1.005 7.285 1.00 0.00 C ATOM 511 NE ARG A 160 1.752 2.258 7.897 1.00 0.00 N ATOM 512 CZ ARG A 160 2.005 2.401 9.196 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.866 1.371 10.023 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.399 3.576 9.670 1.00 0.00 N ATOM 0 H ARG A 160 -2.304 0.002 5.898 1.00 0.00 H new ATOM 0 HA ARG A 160 0.283 -0.894 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.432 -0.937 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.279 -1.316 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.756 1.308 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.441 1.096 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.901 0.180 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.509 1.038 6.213 1.00 0.00 H new ATOM 0 HE ARG A 160 1.870 3.071 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.564 0.465 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.061 1.486 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.508 4.370 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.593 3.685 10.665 1.00 0.00 H new ATOM 528 N GLU A 161 -1.868 -3.278 6.066 1.00 0.00 N ATOM 529 CA GLU A 161 -2.071 -4.719 6.029 1.00 0.00 C ATOM 530 C GLU A 161 -1.688 -5.262 4.659 1.00 0.00 C ATOM 531 O GLU A 161 -1.133 -6.354 4.542 1.00 0.00 O ATOM 532 CB GLU A 161 -3.527 -5.063 6.343 1.00 0.00 C ATOM 533 CG GLU A 161 -4.019 -4.483 7.660 1.00 0.00 C ATOM 534 CD GLU A 161 -3.285 -5.054 8.858 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.134 -4.635 9.104 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.862 -5.919 9.549 1.00 0.00 O ATOM 0 H GLU A 161 -2.719 -2.735 6.213 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.436 -5.181 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.161 -4.697 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.638 -6.147 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.895 -3.400 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -5.086 -4.681 7.764 1.00 0.00 H new ATOM 543 N ASP A 162 -1.987 -4.484 3.622 1.00 0.00 N ATOM 544 CA ASP A 162 -1.674 -4.875 2.255 1.00 0.00 C ATOM 545 C ASP A 162 -0.167 -4.949 2.048 1.00 0.00 C ATOM 546 O ASP A 162 0.355 -5.951 1.559 1.00 0.00 O ATOM 547 CB ASP A 162 -2.293 -3.884 1.268 1.00 0.00 C ATOM 548 CG ASP A 162 -3.806 -3.942 1.267 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.359 -5.038 1.500 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.439 -2.892 1.037 1.00 0.00 O ATOM 0 H ASP A 162 -2.447 -3.577 3.705 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.095 -5.864 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.971 -2.874 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.923 -4.095 0.265 1.00 0.00 H new ATOM 555 N VAL A 163 0.533 -3.882 2.429 1.00 0.00 N ATOM 556 CA VAL A 163 1.983 -3.837 2.288 1.00 0.00 C ATOM 557 C VAL A 163 2.635 -4.967 3.077 1.00 0.00 C ATOM 558 O VAL A 163 3.671 -5.499 2.679 1.00 0.00 O ATOM 559 CB VAL A 163 2.560 -2.488 2.764 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.062 -2.430 2.524 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.861 -1.332 2.066 1.00 0.00 C ATOM 0 H VAL A 163 0.120 -3.042 2.835 1.00 0.00 H new ATOM 0 HA VAL A 163 2.205 -3.955 1.227 1.00 0.00 H new ATOM 0 HB VAL A 163 2.383 -2.400 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.448 -1.470 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.550 -3.235 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.265 -2.543 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.281 -0.389 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.004 -1.417 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.795 -1.360 2.294 1.00 0.00 H new ATOM 571 N GLU A 164 2.019 -5.332 4.197 1.00 0.00 N ATOM 572 CA GLU A 164 2.538 -6.403 5.036 1.00 0.00 C ATOM 573 C GLU A 164 2.423 -7.748 4.325 1.00 0.00 C ATOM 574 O GLU A 164 3.364 -8.541 4.320 1.00 0.00 O ATOM 575 CB GLU A 164 1.785 -6.450 6.368 1.00 0.00 C ATOM 576 CG GLU A 164 2.453 -5.644 7.471 1.00 0.00 C ATOM 577 CD GLU A 164 2.242 -6.251 8.844 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.040 -7.128 9.235 1.00 0.00 O ATOM 579 OE2 GLU A 164 1.278 -5.849 9.530 1.00 0.00 O ATOM 0 H GLU A 164 1.161 -4.902 4.543 1.00 0.00 H new ATOM 0 HA GLU A 164 3.591 -6.201 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.773 -6.075 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.696 -7.488 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.522 -5.574 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.060 -4.627 7.463 1.00 0.00 H new ATOM 586 N LYS A 165 1.265 -7.993 3.719 1.00 0.00 N ATOM 587 CA LYS A 165 1.030 -9.238 2.998 1.00 0.00 C ATOM 588 C LYS A 165 1.997 -9.369 1.826 1.00 0.00 C ATOM 589 O LYS A 165 2.535 -10.445 1.567 1.00 0.00 O ATOM 590 CB LYS A 165 -0.413 -9.297 2.496 1.00 0.00 C ATOM 591 CG LYS A 165 -1.402 -9.785 3.541 1.00 0.00 C ATOM 592 CD LYS A 165 -2.724 -9.043 3.448 1.00 0.00 C ATOM 593 CE LYS A 165 -3.575 -9.258 4.691 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.002 -9.510 4.350 1.00 0.00 N ATOM 0 H LYS A 165 0.476 -7.346 3.713 1.00 0.00 H new ATOM 0 HA LYS A 165 1.199 -10.068 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.713 -8.304 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.460 -9.955 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.574 -10.853 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.977 -9.650 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.536 -7.978 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -3.271 -9.382 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.183 -10.102 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.505 -8.381 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.548 -9.651 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.384 -8.694 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.072 -10.361 3.757 1.00 0.00 H new ATOM 608 N TRP A 166 2.215 -8.262 1.124 1.00 0.00 N ATOM 609 CA TRP A 166 3.121 -8.245 -0.018 1.00 0.00 C ATOM 610 C TRP A 166 4.570 -8.358 0.448 1.00 0.00 C ATOM 611 O TRP A 166 5.354 -9.125 -0.111 1.00 0.00 O ATOM 612 CB TRP A 166 2.923 -6.959 -0.825 1.00 0.00 C ATOM 613 CG TRP A 166 3.917 -6.785 -1.934 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.740 -7.094 -3.252 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.241 -6.257 -1.820 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.880 -6.795 -3.963 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.814 -6.281 -3.105 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.998 -5.769 -0.754 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.110 -5.834 -3.350 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.283 -5.325 -0.998 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.829 -5.361 -2.288 1.00 0.00 C ATOM 0 H TRP A 166 1.776 -7.364 1.326 1.00 0.00 H new ATOM 0 HA TRP A 166 2.896 -9.100 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.918 -6.956 -1.246 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.989 -6.104 -0.152 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.838 -7.512 -3.675 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.008 -6.934 -4.965 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.586 -5.739 0.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.532 -5.860 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.877 -4.944 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.837 -5.008 -2.446 1.00 0.00 H new ATOM 632 N LEU A 167 4.914 -7.591 1.477 1.00 0.00 N ATOM 633 CA LEU A 167 6.266 -7.603 2.024 1.00 0.00 C ATOM 634 C LEU A 167 6.655 -9.004 2.480 1.00 0.00 C ATOM 635 O LEU A 167 7.801 -9.425 2.323 1.00 0.00 O ATOM 636 CB LEU A 167 6.373 -6.626 3.196 1.00 0.00 C ATOM 637 CG LEU A 167 6.702 -5.184 2.809 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.505 -4.253 3.994 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.127 -5.089 2.285 1.00 0.00 C ATOM 0 H LEU A 167 4.274 -6.952 1.950 1.00 0.00 H new ATOM 0 HA LEU A 167 6.952 -7.292 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.430 -6.633 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.141 -6.986 3.881 1.00 0.00 H new ATOM 0 HG LEU A 167 6.020 -4.875 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.744 -3.232 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.468 -4.301 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.161 -4.558 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.347 -4.056 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.822 -5.417 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.235 -5.726 1.407 1.00 0.00 H new ATOM 651 N ALA A 168 5.692 -9.721 3.046 1.00 0.00 N ATOM 652 CA ALA A 168 5.927 -11.077 3.528 1.00 0.00 C ATOM 653 C ALA A 168 6.024 -12.062 2.367 1.00 0.00 C ATOM 654 O ALA A 168 6.759 -13.047 2.436 1.00 0.00 O ATOM 655 CB ALA A 168 4.825 -11.495 4.488 1.00 0.00 C ATOM 0 H ALA A 168 4.739 -9.385 3.183 1.00 0.00 H new ATOM 0 HA ALA A 168 6.878 -11.088 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.014 -12.509 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.806 -10.814 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.864 -11.462 3.975 1.00 0.00 H new ATOM 661 N LYS A 169 5.276 -11.791 1.303 1.00 0.00 N ATOM 662 CA LYS A 169 5.277 -12.653 0.127 1.00 0.00 C ATOM 663 C LYS A 169 6.561 -12.473 -0.678 1.00 0.00 C ATOM 664 O LYS A 169 7.051 -13.414 -1.302 1.00 0.00 O ATOM 665 CB LYS A 169 4.058 -12.354 -0.751 1.00 0.00 C ATOM 666 CG LYS A 169 3.032 -13.474 -0.766 1.00 0.00 C ATOM 667 CD LYS A 169 1.908 -13.213 0.224 1.00 0.00 C ATOM 668 CE LYS A 169 1.157 -14.491 0.563 1.00 0.00 C ATOM 669 NZ LYS A 169 1.788 -15.222 1.696 1.00 0.00 N ATOM 0 H LYS A 169 4.661 -10.981 1.231 1.00 0.00 H new ATOM 0 HA LYS A 169 5.226 -13.688 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.581 -11.440 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 169 4.393 -12.165 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.618 -13.576 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.519 -14.419 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.318 -12.778 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.215 -12.483 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.125 -14.249 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.126 -15.138 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.246 -16.087 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 2.765 -15.476 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.794 -14.615 2.540 1.00 0.00 H new ATOM 683 N ALA A 170 7.099 -11.258 -0.658 1.00 0.00 N ATOM 684 CA ALA A 170 8.325 -10.954 -1.386 1.00 0.00 C ATOM 685 C ALA A 170 9.455 -10.594 -0.430 1.00 0.00 C ATOM 686 O ALA A 170 10.351 -11.441 -0.226 1.00 0.00 O ATOM 687 CB ALA A 170 8.085 -9.821 -2.373 1.00 0.00 C ATOM 688 OXT ALA A 170 9.438 -9.467 0.108 1.00 0.00 O ATOM 0 H ALA A 170 6.705 -10.469 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 170 8.622 -11.846 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 170 9.009 -9.604 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.313 -10.115 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.762 -8.931 -1.833 1.00 0.00 H new