USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= -0.0859 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 TYR OH : rot -140:sc= -3.31! USER MOD Set 2.2: A 62 SER OG : rot 19:sc= 1.52 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 19 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.9!) USER MOD Single : A 22 GLN : amide:sc=-0.00773 X(o=-0.0077,f=-0.0077) USER MOD Single : A 30 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 32 SER OG : rot 180:sc= -0.129 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.000178 USER MOD Single : A 56 SER OG : rot -150:sc= -0.3 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -135:sc= 0.42 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 159:sc= -3.13 (180deg=-4.24) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.309 -12.620 -4.995 1.00 0.00 N ATOM 88 CA LEU A 10 3.270 -11.678 -5.558 1.00 0.00 C ATOM 89 C LEU A 10 4.679 -11.970 -5.053 1.00 0.00 C ATOM 90 O LEU A 10 4.889 -12.189 -3.860 1.00 0.00 O ATOM 91 CB LEU A 10 2.875 -10.243 -5.201 1.00 0.00 C ATOM 92 CG LEU A 10 1.765 -9.621 -6.049 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.451 -8.214 -5.568 1.00 0.00 C ATOM 94 CD2 LEU A 10 2.161 -9.609 -7.519 1.00 0.00 C ATOM 0 HA LEU A 10 3.262 -11.792 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.562 -10.223 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.761 -9.613 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 10 0.867 -10.228 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.659 -7.787 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.124 -8.249 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.345 -7.595 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.360 -9.163 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.073 -9.025 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.335 -10.630 -7.857 1.00 0.00 H new ATOM 106 N SER A 11 5.642 -11.970 -5.970 1.00 0.00 N ATOM 107 CA SER A 11 7.032 -12.237 -5.618 1.00 0.00 C ATOM 108 C SER A 11 7.444 -11.437 -4.386 1.00 0.00 C ATOM 109 O SER A 11 8.271 -11.883 -3.590 1.00 0.00 O ATOM 110 CB SER A 11 7.951 -11.897 -6.792 1.00 0.00 C ATOM 111 OG SER A 11 9.249 -12.433 -6.596 1.00 0.00 O ATOM 0 H SER A 11 5.485 -11.788 -6.961 1.00 0.00 H new ATOM 0 HA SER A 11 7.126 -13.298 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.527 -12.291 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.014 -10.815 -6.907 1.00 0.00 H new ATOM 0 HG SER A 11 9.817 -12.203 -7.361 1.00 0.00 H new ATOM 117 N LEU A 12 6.861 -10.253 -4.236 1.00 0.00 N ATOM 118 CA LEU A 12 7.166 -9.388 -3.101 1.00 0.00 C ATOM 119 C LEU A 12 7.248 -10.195 -1.809 1.00 0.00 C ATOM 120 O LEU A 12 6.485 -11.138 -1.604 1.00 0.00 O ATOM 121 CB LEU A 12 6.105 -8.295 -2.967 1.00 0.00 C ATOM 122 CG LEU A 12 5.855 -7.446 -4.214 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.644 -6.548 -4.014 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.086 -6.617 -4.550 1.00 0.00 C ATOM 0 H LEU A 12 6.174 -9.870 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 12 8.136 -8.923 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.165 -8.763 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.396 -7.632 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 12 5.652 -8.114 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.481 -5.951 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.764 -7.162 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.818 -5.887 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.890 -6.019 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.320 -5.958 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.931 -7.280 -4.737 1.00 0.00 H new ATOM 136 N GLY A 13 8.178 -9.815 -0.938 1.00 0.00 N ATOM 137 CA GLY A 13 8.341 -10.511 0.325 1.00 0.00 C ATOM 138 C GLY A 13 7.522 -9.892 1.439 1.00 0.00 C ATOM 139 O GLY A 13 6.834 -8.892 1.231 1.00 0.00 O ATOM 0 H GLY A 13 8.822 -9.037 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.050 -11.554 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.394 -10.505 0.606 1.00 0.00 H new ATOM 143 N ASP A 14 7.594 -10.486 2.625 1.00 0.00 N ATOM 144 CA ASP A 14 6.852 -9.986 3.777 1.00 0.00 C ATOM 145 C ASP A 14 7.198 -8.526 4.054 1.00 0.00 C ATOM 146 O ASP A 14 6.312 -7.691 4.241 1.00 0.00 O ATOM 147 CB ASP A 14 7.152 -10.837 5.012 1.00 0.00 C ATOM 148 CG ASP A 14 6.329 -12.109 5.053 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.110 -12.018 5.310 1.00 0.00 O ATOM 150 OD2 ASP A 14 6.902 -13.195 4.828 1.00 0.00 O ATOM 0 H ASP A 14 8.158 -11.314 2.814 1.00 0.00 H new ATOM 0 HA ASP A 14 5.788 -10.052 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.211 -11.093 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.955 -10.251 5.910 1.00 0.00 H new ATOM 155 N THR A 15 8.492 -8.224 4.080 1.00 0.00 N ATOM 156 CA THR A 15 8.955 -6.866 4.336 1.00 0.00 C ATOM 157 C THR A 15 8.516 -5.917 3.227 1.00 0.00 C ATOM 158 O THR A 15 8.004 -4.830 3.494 1.00 0.00 O ATOM 159 CB THR A 15 10.489 -6.810 4.466 1.00 0.00 C ATOM 160 OG1 THR A 15 10.929 -7.732 5.470 1.00 0.00 O ATOM 161 CG2 THR A 15 10.951 -5.406 4.823 1.00 0.00 C ATOM 0 H THR A 15 9.238 -8.902 3.927 1.00 0.00 H new ATOM 0 HA THR A 15 8.506 -6.552 5.278 1.00 0.00 H new ATOM 0 HB THR A 15 10.923 -7.085 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.905 -7.692 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.037 -5.391 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.640 -4.711 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.508 -5.108 5.773 1.00 0.00 H new ATOM 169 N ALA A 16 8.718 -6.335 1.982 1.00 0.00 N ATOM 170 CA ALA A 16 8.340 -5.523 0.832 1.00 0.00 C ATOM 171 C ALA A 16 6.886 -5.073 0.932 1.00 0.00 C ATOM 172 O ALA A 16 6.593 -3.877 0.914 1.00 0.00 O ATOM 173 CB ALA A 16 8.568 -6.296 -0.458 1.00 0.00 C ATOM 0 H ALA A 16 9.142 -7.232 1.744 1.00 0.00 H new ATOM 0 HA ALA A 16 8.969 -4.633 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.281 -5.677 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.622 -6.562 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.964 -7.204 -0.450 1.00 0.00 H new ATOM 179 N LEU A 17 5.979 -6.038 1.037 1.00 0.00 N ATOM 180 CA LEU A 17 4.554 -5.742 1.139 1.00 0.00 C ATOM 181 C LEU A 17 4.275 -4.809 2.313 1.00 0.00 C ATOM 182 O LEU A 17 3.689 -3.740 2.142 1.00 0.00 O ATOM 183 CB LEU A 17 3.754 -7.035 1.299 1.00 0.00 C ATOM 184 CG LEU A 17 3.537 -7.853 0.025 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.074 -9.260 0.367 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.530 -7.164 -0.884 1.00 0.00 C ATOM 0 H LEU A 17 6.205 -7.033 1.054 1.00 0.00 H new ATOM 0 HA LEU A 17 4.245 -5.243 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.262 -7.665 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.779 -6.786 1.717 1.00 0.00 H new ATOM 0 HG LEU A 17 4.487 -7.925 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.925 -9.827 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.829 -9.753 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.136 -9.210 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.387 -7.759 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.579 -7.062 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.902 -6.176 -1.156 1.00 0.00 H new ATOM 198 N GLN A 18 4.701 -5.219 3.503 1.00 0.00 N ATOM 199 CA GLN A 18 4.498 -4.419 4.704 1.00 0.00 C ATOM 200 C GLN A 18 4.928 -2.973 4.475 1.00 0.00 C ATOM 201 O GLN A 18 4.189 -2.040 4.784 1.00 0.00 O ATOM 202 CB GLN A 18 5.278 -5.015 5.878 1.00 0.00 C ATOM 203 CG GLN A 18 4.611 -6.234 6.494 1.00 0.00 C ATOM 204 CD GLN A 18 3.613 -5.869 7.576 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.578 -4.731 8.046 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.795 -6.834 7.976 1.00 0.00 N ATOM 0 H GLN A 18 5.189 -6.101 3.661 1.00 0.00 H new ATOM 0 HA GLN A 18 3.434 -4.430 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.276 -5.290 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.402 -4.252 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.103 -6.799 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.375 -6.888 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.859 -7.763 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.102 -6.647 8.701 1.00 0.00 H new ATOM 215 N ASN A 19 6.127 -2.797 3.930 1.00 0.00 N ATOM 216 CA ASN A 19 6.656 -1.465 3.660 1.00 0.00 C ATOM 217 C ASN A 19 5.757 -0.711 2.685 1.00 0.00 C ATOM 218 O ASN A 19 5.180 0.322 3.027 1.00 0.00 O ATOM 219 CB ASN A 19 8.074 -1.562 3.093 1.00 0.00 C ATOM 220 CG ASN A 19 9.090 -1.968 4.143 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.827 -1.883 5.343 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.257 -2.414 3.695 1.00 0.00 N ATOM 0 H ASN A 19 6.751 -3.560 3.667 1.00 0.00 H new ATOM 0 HA ASN A 19 6.685 -0.915 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.088 -2.286 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.359 -0.599 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.980 -2.703 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.431 -2.467 2.691 1.00 0.00 H new ATOM 229 N LEU A 20 5.642 -1.234 1.469 1.00 0.00 N ATOM 230 CA LEU A 20 4.812 -0.611 0.444 1.00 0.00 C ATOM 231 C LEU A 20 3.453 -0.213 1.010 1.00 0.00 C ATOM 232 O LEU A 20 2.989 0.908 0.804 1.00 0.00 O ATOM 233 CB LEU A 20 4.626 -1.564 -0.738 1.00 0.00 C ATOM 234 CG LEU A 20 4.438 -0.909 -2.106 1.00 0.00 C ATOM 235 CD1 LEU A 20 3.068 -0.255 -2.202 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.536 0.112 -2.364 1.00 0.00 C ATOM 0 H LEU A 20 6.113 -2.088 1.169 1.00 0.00 H new ATOM 0 HA LEU A 20 5.319 0.291 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.494 -2.221 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.760 -2.195 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 20 4.502 -1.684 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.953 0.206 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.294 -1.010 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.974 0.508 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.386 0.568 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.503 0.884 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.507 -0.383 -2.340 1.00 0.00 H new ATOM 248 N GLU A 21 2.822 -1.139 1.726 1.00 0.00 N ATOM 249 CA GLU A 21 1.516 -0.883 2.323 1.00 0.00 C ATOM 250 C GLU A 21 1.528 0.419 3.119 1.00 0.00 C ATOM 251 O GLU A 21 0.826 1.371 2.781 1.00 0.00 O ATOM 252 CB GLU A 21 1.109 -2.045 3.230 1.00 0.00 C ATOM 253 CG GLU A 21 0.734 -3.307 2.472 1.00 0.00 C ATOM 254 CD GLU A 21 0.736 -4.541 3.354 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.421 -4.412 4.555 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.052 -5.635 2.842 1.00 0.00 O ATOM 0 H GLU A 21 3.193 -2.072 1.906 1.00 0.00 H new ATOM 0 HA GLU A 21 0.788 -0.789 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.932 -2.270 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.264 -1.736 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.255 -3.181 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.433 -3.453 1.648 1.00 0.00 H new ATOM 263 N GLN A 22 2.330 0.450 4.179 1.00 0.00 N ATOM 264 CA GLN A 22 2.432 1.633 5.024 1.00 0.00 C ATOM 265 C GLN A 22 2.804 2.861 4.200 1.00 0.00 C ATOM 266 O GLN A 22 2.158 3.906 4.296 1.00 0.00 O ATOM 267 CB GLN A 22 3.470 1.411 6.126 1.00 0.00 C ATOM 268 CG GLN A 22 3.146 0.239 7.039 1.00 0.00 C ATOM 269 CD GLN A 22 1.975 0.522 7.959 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.042 1.406 8.813 1.00 0.00 O ATOM 271 NE2 GLN A 22 0.894 -0.230 7.790 1.00 0.00 N ATOM 0 H GLN A 22 2.918 -0.330 4.472 1.00 0.00 H new ATOM 0 HA GLN A 22 1.458 1.806 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.445 1.245 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.550 2.317 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.922 -0.638 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.024 -0.003 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.882 -0.952 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.075 -0.086 8.381 1.00 0.00 H new ATOM 280 N LEU A 23 3.848 2.729 3.389 1.00 0.00 N ATOM 281 CA LEU A 23 4.306 3.828 2.546 1.00 0.00 C ATOM 282 C LEU A 23 3.130 4.518 1.863 1.00 0.00 C ATOM 283 O LEU A 23 3.009 5.743 1.897 1.00 0.00 O ATOM 284 CB LEU A 23 5.292 3.314 1.495 1.00 0.00 C ATOM 285 CG LEU A 23 6.766 3.308 1.904 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.522 2.220 1.156 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.396 4.669 1.649 1.00 0.00 C ATOM 0 H LEU A 23 4.393 1.872 3.297 1.00 0.00 H new ATOM 0 HA LEU A 23 4.810 4.556 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.007 2.297 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.187 3.924 0.598 1.00 0.00 H new ATOM 0 HG LEU A 23 6.827 3.097 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.569 2.230 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.086 1.248 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.453 2.401 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.445 4.646 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.324 4.910 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.871 5.427 2.230 1.00 0.00 H new ATOM 299 N LEU A 24 2.264 3.723 1.244 1.00 0.00 N ATOM 300 CA LEU A 24 1.094 4.257 0.554 1.00 0.00 C ATOM 301 C LEU A 24 0.228 5.076 1.505 1.00 0.00 C ATOM 302 O LEU A 24 -0.451 6.016 1.088 1.00 0.00 O ATOM 303 CB LEU A 24 0.271 3.118 -0.051 1.00 0.00 C ATOM 304 CG LEU A 24 0.663 2.684 -1.464 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.027 1.346 -1.807 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.261 3.744 -2.479 1.00 0.00 C ATOM 0 H LEU A 24 2.349 2.707 1.206 1.00 0.00 H new ATOM 0 HA LEU A 24 1.441 4.911 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.346 2.253 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.776 3.420 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 24 1.746 2.568 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.317 1.053 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.365 0.590 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.058 1.434 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.548 3.418 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.818 3.893 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.765 4.682 -2.245 1.00 0.00 H new ATOM 318 N ASP A 25 0.257 4.716 2.783 1.00 0.00 N ATOM 319 CA ASP A 25 -0.523 5.419 3.794 1.00 0.00 C ATOM 320 C ASP A 25 0.359 6.370 4.597 1.00 0.00 C ATOM 321 O ASP A 25 1.242 5.937 5.337 1.00 0.00 O ATOM 322 CB ASP A 25 -1.203 4.420 4.731 1.00 0.00 C ATOM 323 CG ASP A 25 -2.149 3.489 3.998 1.00 0.00 C ATOM 324 OD1 ASP A 25 -1.868 3.161 2.825 1.00 0.00 O ATOM 325 OD2 ASP A 25 -3.168 3.087 4.596 1.00 0.00 O ATOM 0 H ASP A 25 0.813 3.941 3.144 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.288 6.005 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.442 3.831 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.755 4.963 5.498 1.00 0.00 H new ATOM 330 N GLY A 26 0.114 7.668 4.445 1.00 0.00 N ATOM 331 CA GLY A 26 0.896 8.659 5.161 1.00 0.00 C ATOM 332 C GLY A 26 0.951 9.989 4.436 1.00 0.00 C ATOM 333 O GLY A 26 0.714 10.073 3.230 1.00 0.00 O ATOM 0 H GLY A 26 -0.612 8.051 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.469 8.807 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.910 8.284 5.303 1.00 0.00 H new ATOM 337 N PRO A 27 1.269 11.060 5.178 1.00 0.00 N ATOM 338 CA PRO A 27 1.360 12.412 4.619 1.00 0.00 C ATOM 339 C PRO A 27 2.560 12.576 3.693 1.00 0.00 C ATOM 340 O PRO A 27 2.436 13.110 2.591 1.00 0.00 O ATOM 341 CB PRO A 27 1.515 13.298 5.857 1.00 0.00 C ATOM 342 CG PRO A 27 2.115 12.406 6.889 1.00 0.00 C ATOM 343 CD PRO A 27 1.563 11.033 6.621 1.00 0.00 C ATOM 0 HA PRO A 27 0.493 12.660 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.157 14.155 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.553 13.692 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.203 12.409 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.856 12.742 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.284 10.254 6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.667 10.838 7.210 1.00 0.00 H new ATOM 351 N GLU A 28 3.721 12.113 4.147 1.00 0.00 N ATOM 352 CA GLU A 28 4.943 12.210 3.358 1.00 0.00 C ATOM 353 C GLU A 28 4.775 11.518 2.008 1.00 0.00 C ATOM 354 O GLU A 28 5.448 11.858 1.036 1.00 0.00 O ATOM 355 CB GLU A 28 6.118 11.590 4.118 1.00 0.00 C ATOM 356 CG GLU A 28 7.458 12.228 3.791 1.00 0.00 C ATOM 357 CD GLU A 28 8.622 11.499 4.433 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.631 11.372 5.675 1.00 0.00 O ATOM 359 OE2 GLU A 28 9.525 11.056 3.692 1.00 0.00 O ATOM 0 H GLU A 28 3.840 11.667 5.057 1.00 0.00 H new ATOM 0 HA GLU A 28 5.149 13.266 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.935 11.678 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.166 10.525 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.595 12.243 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.454 13.265 4.126 1.00 0.00 H new ATOM 366 N ALA A 29 3.871 10.544 1.957 1.00 0.00 N ATOM 367 CA ALA A 29 3.613 9.806 0.727 1.00 0.00 C ATOM 368 C ALA A 29 3.031 10.716 -0.348 1.00 0.00 C ATOM 369 O ALA A 29 1.824 10.955 -0.385 1.00 0.00 O ATOM 370 CB ALA A 29 2.674 8.640 1.000 1.00 0.00 C ATOM 0 H ALA A 29 3.306 10.248 2.753 1.00 0.00 H new ATOM 0 HA ALA A 29 4.562 9.416 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.489 8.097 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.129 7.969 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.730 9.017 1.394 1.00 0.00 H new ATOM 376 N GLN A 30 3.896 11.222 -1.221 1.00 0.00 N ATOM 377 CA GLN A 30 3.467 12.107 -2.297 1.00 0.00 C ATOM 378 C GLN A 30 2.255 11.533 -3.023 1.00 0.00 C ATOM 379 O GLN A 30 1.507 12.261 -3.676 1.00 0.00 O ATOM 380 CB GLN A 30 4.610 12.333 -3.288 1.00 0.00 C ATOM 381 CG GLN A 30 5.094 11.058 -3.959 1.00 0.00 C ATOM 382 CD GLN A 30 6.531 11.157 -4.433 1.00 0.00 C ATOM 383 OE1 GLN A 30 6.867 12.008 -5.258 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.388 10.286 -3.913 1.00 0.00 N ATOM 0 H GLN A 30 4.898 11.034 -1.204 1.00 0.00 H new ATOM 0 HA GLN A 30 3.185 13.063 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.282 13.035 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.446 12.799 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.003 10.227 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.450 10.832 -4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.066 9.598 -3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.368 10.305 -4.194 1.00 0.00 H new ATOM 393 N GLY A 31 2.066 10.222 -2.905 1.00 0.00 N ATOM 394 CA GLY A 31 0.943 9.573 -3.557 1.00 0.00 C ATOM 395 C GLY A 31 -0.086 9.064 -2.567 1.00 0.00 C ATOM 396 O GLY A 31 -0.300 9.670 -1.517 1.00 0.00 O ATOM 0 H GLY A 31 2.670 9.598 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.468 10.276 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.308 8.740 -4.158 1.00 0.00 H new ATOM 400 N SER A 32 -0.726 7.948 -2.902 1.00 0.00 N ATOM 401 CA SER A 32 -1.742 7.361 -2.038 1.00 0.00 C ATOM 402 C SER A 32 -2.166 5.988 -2.552 1.00 0.00 C ATOM 403 O SER A 32 -1.760 5.567 -3.635 1.00 0.00 O ATOM 404 CB SER A 32 -2.960 8.283 -1.947 1.00 0.00 C ATOM 405 OG SER A 32 -3.872 7.828 -0.962 1.00 0.00 O ATOM 0 H SER A 32 -0.558 7.433 -3.766 1.00 0.00 H new ATOM 0 HA SER A 32 -1.312 7.240 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.636 9.296 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.459 8.329 -2.915 1.00 0.00 H new ATOM 0 HG SER A 32 -4.640 8.435 -0.922 1.00 0.00 H new ATOM 411 N TRP A 33 -2.985 5.297 -1.768 1.00 0.00 N ATOM 412 CA TRP A 33 -3.465 3.972 -2.143 1.00 0.00 C ATOM 413 C TRP A 33 -4.757 4.068 -2.948 1.00 0.00 C ATOM 414 O TRP A 33 -5.026 3.231 -3.809 1.00 0.00 O ATOM 415 CB TRP A 33 -3.690 3.116 -0.896 1.00 0.00 C ATOM 416 CG TRP A 33 -4.724 3.678 0.032 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.504 4.262 1.247 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.140 3.708 -0.179 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.698 4.653 1.803 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.716 4.325 0.948 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.976 3.275 -1.212 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.090 4.517 1.069 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.339 3.466 -1.089 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.885 4.083 0.044 1.00 0.00 C ATOM 0 H TRP A 33 -3.331 5.632 -0.869 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.705 3.501 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.992 2.114 -1.201 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.747 3.014 -0.359 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.534 4.397 1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.808 5.113 2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.564 2.800 -2.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.513 4.992 1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.995 3.134 -1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.954 4.219 0.109 1.00 0.00 H new ATOM 435 N ALA A 34 -5.551 5.094 -2.663 1.00 0.00 N ATOM 436 CA ALA A 34 -6.814 5.300 -3.362 1.00 0.00 C ATOM 437 C ALA A 34 -6.584 5.537 -4.851 1.00 0.00 C ATOM 438 O ALA A 34 -6.959 4.713 -5.684 1.00 0.00 O ATOM 439 CB ALA A 34 -7.571 6.470 -2.751 1.00 0.00 C ATOM 0 H ALA A 34 -5.342 5.796 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.413 4.396 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.512 6.612 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.776 6.262 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.969 7.375 -2.831 1.00 0.00 H new ATOM 445 N GLU A 35 -5.966 6.668 -5.177 1.00 0.00 N ATOM 446 CA GLU A 35 -5.689 7.013 -6.567 1.00 0.00 C ATOM 447 C GLU A 35 -4.999 5.858 -7.286 1.00 0.00 C ATOM 448 O GLU A 35 -5.297 5.567 -8.446 1.00 0.00 O ATOM 449 CB GLU A 35 -4.816 8.268 -6.640 1.00 0.00 C ATOM 450 CG GLU A 35 -4.646 8.810 -8.049 1.00 0.00 C ATOM 451 CD GLU A 35 -5.759 9.761 -8.446 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.776 9.287 -8.994 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.612 10.978 -8.209 1.00 0.00 O ATOM 0 H GLU A 35 -5.648 7.360 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.640 7.211 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.256 9.043 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.833 8.041 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.689 9.326 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.615 7.978 -8.753 1.00 0.00 H new ATOM 460 N LEU A 36 -4.075 5.203 -6.592 1.00 0.00 N ATOM 461 CA LEU A 36 -3.341 4.080 -7.163 1.00 0.00 C ATOM 462 C LEU A 36 -4.298 3.005 -7.669 1.00 0.00 C ATOM 463 O LEU A 36 -4.224 2.588 -8.825 1.00 0.00 O ATOM 464 CB LEU A 36 -2.390 3.484 -6.123 1.00 0.00 C ATOM 465 CG LEU A 36 -1.730 2.157 -6.499 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.748 2.354 -7.643 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.031 1.548 -5.293 1.00 0.00 C ATOM 0 H LEU A 36 -3.816 5.431 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.760 4.450 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.605 4.212 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.943 3.342 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.507 1.468 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.288 1.399 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.276 2.745 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.026 3.060 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.567 0.604 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.265 2.234 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.760 1.369 -4.502 1.00 0.00 H new ATOM 479 N ALA A 37 -5.197 2.562 -6.796 1.00 0.00 N ATOM 480 CA ALA A 37 -6.171 1.539 -7.156 1.00 0.00 C ATOM 481 C ALA A 37 -6.839 1.862 -8.488 1.00 0.00 C ATOM 482 O ALA A 37 -7.005 0.986 -9.337 1.00 0.00 O ATOM 483 CB ALA A 37 -7.217 1.398 -6.060 1.00 0.00 C ATOM 0 H ALA A 37 -5.271 2.895 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.643 0.591 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.938 0.631 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.730 1.113 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.733 2.349 -5.925 1.00 0.00 H new ATOM 489 N GLU A 38 -7.220 3.123 -8.664 1.00 0.00 N ATOM 490 CA GLU A 38 -7.872 3.559 -9.894 1.00 0.00 C ATOM 491 C GLU A 38 -6.975 3.307 -11.103 1.00 0.00 C ATOM 492 O GLU A 38 -7.414 2.747 -12.108 1.00 0.00 O ATOM 493 CB GLU A 38 -8.227 5.045 -9.810 1.00 0.00 C ATOM 494 CG GLU A 38 -9.167 5.382 -8.664 1.00 0.00 C ATOM 495 CD GLU A 38 -9.742 6.780 -8.773 1.00 0.00 C ATOM 496 OE1 GLU A 38 -9.002 7.748 -8.500 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.931 6.907 -9.132 1.00 0.00 O ATOM 0 H GLU A 38 -7.089 3.860 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.788 2.980 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.310 5.623 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.687 5.354 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.982 4.659 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.631 5.286 -7.720 1.00 0.00 H new ATOM 504 N ARG A 39 -5.718 3.726 -10.998 1.00 0.00 N ATOM 505 CA ARG A 39 -4.761 3.547 -12.083 1.00 0.00 C ATOM 506 C ARG A 39 -4.696 2.086 -12.516 1.00 0.00 C ATOM 507 O ARG A 39 -4.529 1.785 -13.699 1.00 0.00 O ATOM 508 CB ARG A 39 -3.373 4.024 -11.650 1.00 0.00 C ATOM 509 CG ARG A 39 -3.279 5.529 -11.458 1.00 0.00 C ATOM 510 CD ARG A 39 -1.835 6.005 -11.486 1.00 0.00 C ATOM 511 NE ARG A 39 -1.738 7.450 -11.677 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.884 8.046 -12.855 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.132 7.326 -13.940 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.782 9.366 -12.949 1.00 0.00 N ATOM 0 H ARG A 39 -5.339 4.191 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.096 4.144 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.103 3.530 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.642 3.715 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.845 6.033 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.736 5.805 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.344 5.729 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.301 5.497 -12.289 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.548 8.033 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.211 6.311 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.244 7.787 -14.843 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.591 9.923 -12.116 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.894 9.823 -13.854 1.00 0.00 H new ATOM 528 N LEU A 40 -4.828 1.182 -11.552 1.00 0.00 N ATOM 529 CA LEU A 40 -4.784 -0.249 -11.833 1.00 0.00 C ATOM 530 C LEU A 40 -6.113 -0.733 -12.404 1.00 0.00 C ATOM 531 O LEU A 40 -6.149 -1.631 -13.243 1.00 0.00 O ATOM 532 CB LEU A 40 -4.449 -1.029 -10.560 1.00 0.00 C ATOM 533 CG LEU A 40 -3.186 -0.591 -9.818 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.208 -1.094 -8.383 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.943 -1.091 -10.541 1.00 0.00 C ATOM 0 H LEU A 40 -4.966 1.414 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.005 -0.424 -12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.294 -0.950 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.347 -2.083 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.158 0.498 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.301 -0.772 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.079 -0.688 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.260 -2.183 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.053 -0.770 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.964 -2.180 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.920 -0.682 -11.551 1.00 0.00 H new ATOM 547 N GLY A 41 -7.204 -0.128 -11.945 1.00 0.00 N ATOM 548 CA GLY A 41 -8.521 -0.509 -12.422 1.00 0.00 C ATOM 549 C GLY A 41 -9.460 -0.889 -11.295 1.00 0.00 C ATOM 550 O GLY A 41 -10.585 -1.328 -11.535 1.00 0.00 O ATOM 0 H GLY A 41 -7.200 0.620 -11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.952 0.318 -12.987 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.426 -1.349 -13.110 1.00 0.00 H new ATOM 554 N LEU A 42 -8.997 -0.720 -10.061 1.00 0.00 N ATOM 555 CA LEU A 42 -9.804 -1.050 -8.890 1.00 0.00 C ATOM 556 C LEU A 42 -10.372 0.212 -8.248 1.00 0.00 C ATOM 557 O LEU A 42 -10.230 0.425 -7.044 1.00 0.00 O ATOM 558 CB LEU A 42 -8.965 -1.821 -7.870 1.00 0.00 C ATOM 559 CG LEU A 42 -7.930 -2.789 -8.446 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.830 -3.059 -7.431 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.595 -4.089 -8.873 1.00 0.00 C ATOM 0 H LEU A 42 -8.069 -0.357 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.635 -1.676 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.447 -1.101 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.640 -2.384 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.480 -2.329 -9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.103 -3.750 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.334 -2.123 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.264 -3.498 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.844 -4.765 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.072 -4.554 -8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.346 -3.880 -9.635 1.00 0.00 H new ATOM 573 N ARG A 43 -11.018 1.043 -9.059 1.00 0.00 N ATOM 574 CA ARG A 43 -11.610 2.282 -8.570 1.00 0.00 C ATOM 575 C ARG A 43 -12.903 2.005 -7.811 1.00 0.00 C ATOM 576 O ARG A 43 -13.152 2.586 -6.755 1.00 0.00 O ATOM 577 CB ARG A 43 -11.884 3.236 -9.735 1.00 0.00 C ATOM 578 CG ARG A 43 -12.858 2.680 -10.761 1.00 0.00 C ATOM 579 CD ARG A 43 -12.724 3.391 -12.098 1.00 0.00 C ATOM 580 NE ARG A 43 -13.569 2.787 -13.126 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.379 2.962 -14.429 1.00 0.00 C ATOM 582 NH1 ARG A 43 -12.379 3.718 -14.861 1.00 0.00 N ATOM 583 NH2 ARG A 43 -14.190 2.379 -15.302 1.00 0.00 N ATOM 0 H ARG A 43 -11.145 0.881 -10.058 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.901 2.748 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.279 4.172 -9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.942 3.471 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.678 1.613 -10.895 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.878 2.787 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.992 4.441 -11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.683 3.363 -12.421 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.347 2.199 -12.827 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.753 4.167 -14.192 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.235 3.851 -15.862 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.960 1.796 -14.973 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.044 2.514 -16.302 1.00 0.00 H new ATOM 597 N SER A 44 -13.724 1.113 -8.356 1.00 0.00 N ATOM 598 CA SER A 44 -14.994 0.761 -7.732 1.00 0.00 C ATOM 599 C SER A 44 -14.770 0.114 -6.369 1.00 0.00 C ATOM 600 O SER A 44 -15.628 0.181 -5.488 1.00 0.00 O ATOM 601 CB SER A 44 -15.785 -0.188 -8.635 1.00 0.00 C ATOM 602 OG SER A 44 -15.142 -1.447 -8.738 1.00 0.00 O ATOM 0 H SER A 44 -13.532 0.621 -9.229 1.00 0.00 H new ATOM 0 HA SER A 44 -15.566 1.678 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.791 -0.321 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.891 0.252 -9.627 1.00 0.00 H new ATOM 0 HG SER A 44 -15.667 -2.036 -9.319 1.00 0.00 H new ATOM 608 N LEU A 45 -13.609 -0.511 -6.202 1.00 0.00 N ATOM 609 CA LEU A 45 -13.270 -1.170 -4.946 1.00 0.00 C ATOM 610 C LEU A 45 -12.727 -0.167 -3.933 1.00 0.00 C ATOM 611 O LEU A 45 -12.677 -0.444 -2.735 1.00 0.00 O ATOM 612 CB LEU A 45 -12.239 -2.274 -5.189 1.00 0.00 C ATOM 613 CG LEU A 45 -12.758 -3.537 -5.879 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.601 -4.370 -6.408 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.613 -4.355 -4.922 1.00 0.00 C ATOM 0 H LEU A 45 -12.888 -0.575 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.180 -1.612 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.430 -1.862 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.809 -2.559 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.379 -3.237 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.989 -5.264 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.030 -3.784 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.953 -4.660 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.973 -5.249 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.016 -4.645 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.463 -3.758 -4.592 1.00 0.00 H new ATOM 627 N VAL A 46 -12.323 1.001 -4.423 1.00 0.00 N ATOM 628 CA VAL A 46 -11.787 2.047 -3.561 1.00 0.00 C ATOM 629 C VAL A 46 -12.700 2.295 -2.365 1.00 0.00 C ATOM 630 O VAL A 46 -12.265 2.232 -1.215 1.00 0.00 O ATOM 631 CB VAL A 46 -11.599 3.368 -4.332 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.320 4.512 -3.370 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.480 3.233 -5.353 1.00 0.00 C ATOM 0 H VAL A 46 -12.357 1.246 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.816 1.700 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.522 3.592 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.190 5.437 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.158 4.621 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.412 4.300 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.361 4.175 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.549 2.985 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.727 2.442 -6.061 1.00 0.00 H new ATOM 643 N ASP A 47 -13.968 2.576 -2.644 1.00 0.00 N ATOM 644 CA ASP A 47 -14.944 2.832 -1.591 1.00 0.00 C ATOM 645 C ASP A 47 -15.008 1.663 -0.614 1.00 0.00 C ATOM 646 O ASP A 47 -15.007 1.855 0.603 1.00 0.00 O ATOM 647 CB ASP A 47 -16.326 3.082 -2.197 1.00 0.00 C ATOM 648 CG ASP A 47 -16.339 4.271 -3.138 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.925 4.109 -4.305 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.763 5.363 -2.707 1.00 0.00 O ATOM 0 H ASP A 47 -14.344 2.632 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.628 3.721 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.649 2.192 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.046 3.248 -1.396 1.00 0.00 H new ATOM 655 N THR A 48 -15.063 0.449 -1.153 1.00 0.00 N ATOM 656 CA THR A 48 -15.130 -0.751 -0.329 1.00 0.00 C ATOM 657 C THR A 48 -13.943 -0.830 0.624 1.00 0.00 C ATOM 658 O THR A 48 -14.116 -0.921 1.840 1.00 0.00 O ATOM 659 CB THR A 48 -15.164 -2.025 -1.195 1.00 0.00 C ATOM 660 OG1 THR A 48 -16.147 -1.890 -2.227 1.00 0.00 O ATOM 661 CG2 THR A 48 -15.479 -3.248 -0.346 1.00 0.00 C ATOM 0 H THR A 48 -15.062 0.271 -2.157 1.00 0.00 H new ATOM 0 HA THR A 48 -16.052 -0.688 0.248 1.00 0.00 H new ATOM 0 HB THR A 48 -14.180 -2.158 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.161 -2.703 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.498 -4.135 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.713 -3.365 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.452 -3.121 0.129 1.00 0.00 H new ATOM 669 N TYR A 49 -12.738 -0.795 0.066 1.00 0.00 N ATOM 670 CA TYR A 49 -11.522 -0.864 0.867 1.00 0.00 C ATOM 671 C TYR A 49 -11.522 0.209 1.952 1.00 0.00 C ATOM 672 O TYR A 49 -11.118 -0.040 3.087 1.00 0.00 O ATOM 673 CB TYR A 49 -10.289 -0.704 -0.024 1.00 0.00 C ATOM 674 CG TYR A 49 -10.171 -1.769 -1.091 1.00 0.00 C ATOM 675 CD1 TYR A 49 -10.473 -3.096 -0.812 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.757 -1.448 -2.378 1.00 0.00 C ATOM 677 CE1 TYR A 49 -10.366 -4.073 -1.783 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.648 -2.418 -3.356 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.954 -3.729 -3.054 1.00 0.00 C ATOM 680 OH TYR A 49 -9.846 -4.697 -4.025 1.00 0.00 O ATOM 0 H TYR A 49 -12.577 -0.719 -0.938 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.490 -1.842 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.321 0.275 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.395 -0.726 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.797 -3.369 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.516 -0.423 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.604 -5.100 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.325 -2.151 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.044 -4.533 -4.563 1.00 0.00 H new ATOM 690 N ARG A 50 -11.980 1.404 1.592 1.00 0.00 N ATOM 691 CA ARG A 50 -12.033 2.516 2.533 1.00 0.00 C ATOM 692 C ARG A 50 -12.522 2.049 3.900 1.00 0.00 C ATOM 693 O ARG A 50 -12.023 2.494 4.934 1.00 0.00 O ATOM 694 CB ARG A 50 -12.950 3.619 2.001 1.00 0.00 C ATOM 695 CG ARG A 50 -12.865 4.915 2.789 1.00 0.00 C ATOM 696 CD ARG A 50 -13.585 6.049 2.077 1.00 0.00 C ATOM 697 NE ARG A 50 -12.708 6.756 1.147 1.00 0.00 N ATOM 698 CZ ARG A 50 -12.972 7.964 0.662 1.00 0.00 C ATOM 699 NH1 ARG A 50 -14.082 8.597 1.017 1.00 0.00 N ATOM 700 NH2 ARG A 50 -12.125 8.542 -0.180 1.00 0.00 N ATOM 0 H ARG A 50 -12.319 1.626 0.656 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.024 2.913 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.697 3.820 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.980 3.262 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.301 4.770 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.819 5.183 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.442 5.650 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.973 6.752 2.814 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.846 6.297 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.736 8.156 1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.282 9.525 0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.270 8.059 -0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.329 9.470 -0.552 1.00 0.00 H new ATOM 714 N GLN A 51 -13.501 1.150 3.897 1.00 0.00 N ATOM 715 CA GLN A 51 -14.059 0.624 5.138 1.00 0.00 C ATOM 716 C GLN A 51 -12.963 0.395 6.173 1.00 0.00 C ATOM 717 O GLN A 51 -12.845 1.143 7.144 1.00 0.00 O ATOM 718 CB GLN A 51 -14.806 -0.684 4.871 1.00 0.00 C ATOM 719 CG GLN A 51 -16.233 -0.481 4.389 1.00 0.00 C ATOM 720 CD GLN A 51 -16.895 -1.778 3.965 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.489 -2.481 4.783 1.00 0.00 O ATOM 722 NE2 GLN A 51 -16.797 -2.100 2.681 1.00 0.00 N ATOM 0 H GLN A 51 -13.924 0.771 3.050 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.759 1.360 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.258 -1.260 4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.821 -1.278 5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.819 -0.021 5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.234 0.214 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.295 -1.487 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.224 -2.960 2.337 1.00 0.00 H new ATOM 731 N THR A 52 -12.162 -0.644 5.960 1.00 0.00 N ATOM 732 CA THR A 52 -11.076 -0.973 6.875 1.00 0.00 C ATOM 733 C THR A 52 -10.170 0.231 7.108 1.00 0.00 C ATOM 734 O THR A 52 -10.216 1.210 6.362 1.00 0.00 O ATOM 735 CB THR A 52 -10.228 -2.144 6.344 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.435 -2.694 7.401 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.324 -1.687 5.209 1.00 0.00 C ATOM 0 H THR A 52 -12.245 -1.273 5.161 1.00 0.00 H new ATOM 0 HA THR A 52 -11.536 -1.267 7.818 1.00 0.00 H new ATOM 0 HB THR A 52 -10.904 -2.909 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.900 -3.439 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.735 -2.531 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.933 -1.297 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.655 -0.905 5.569 1.00 0.00 H new ATOM 745 N THR A 53 -9.344 0.152 8.147 1.00 0.00 N ATOM 746 CA THR A 53 -8.427 1.235 8.478 1.00 0.00 C ATOM 747 C THR A 53 -7.204 1.218 7.568 1.00 0.00 C ATOM 748 O THR A 53 -6.828 2.243 6.999 1.00 0.00 O ATOM 749 CB THR A 53 -7.963 1.150 9.944 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.318 -0.106 10.182 1.00 0.00 O ATOM 751 CG2 THR A 53 -9.140 1.309 10.895 1.00 0.00 C ATOM 0 H THR A 53 -9.292 -0.651 8.774 1.00 0.00 H new ATOM 0 HA THR A 53 -8.973 2.167 8.331 1.00 0.00 H new ATOM 0 HB THR A 53 -7.257 1.961 10.126 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.025 -0.151 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.787 1.245 11.924 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.611 2.278 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.866 0.517 10.711 1.00 0.00 H new ATOM 759 N SER A 54 -6.588 0.048 7.435 1.00 0.00 N ATOM 760 CA SER A 54 -5.405 -0.102 6.595 1.00 0.00 C ATOM 761 C SER A 54 -5.686 -1.036 5.422 1.00 0.00 C ATOM 762 O SER A 54 -5.305 -2.207 5.423 1.00 0.00 O ATOM 763 CB SER A 54 -4.233 -0.638 7.420 1.00 0.00 C ATOM 764 OG SER A 54 -3.981 0.187 8.544 1.00 0.00 O ATOM 0 H SER A 54 -6.888 -0.810 7.898 1.00 0.00 H new ATOM 0 HA SER A 54 -5.143 0.880 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.452 -1.653 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.340 -0.692 6.797 1.00 0.00 H new ATOM 0 HG SER A 54 -3.229 -0.178 9.056 1.00 0.00 H new ATOM 770 N PRO A 55 -6.369 -0.507 4.397 1.00 0.00 N ATOM 771 CA PRO A 55 -6.717 -1.276 3.197 1.00 0.00 C ATOM 772 C PRO A 55 -5.496 -1.601 2.344 1.00 0.00 C ATOM 773 O PRO A 55 -5.580 -2.383 1.396 1.00 0.00 O ATOM 774 CB PRO A 55 -7.665 -0.342 2.440 1.00 0.00 C ATOM 775 CG PRO A 55 -7.294 1.026 2.897 1.00 0.00 C ATOM 776 CD PRO A 55 -6.855 0.881 4.328 1.00 0.00 C ATOM 0 HA PRO A 55 -7.157 -2.242 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.545 -0.445 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.707 -0.566 2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.493 1.438 2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.141 1.707 2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.071 1.594 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.679 1.053 5.020 1.00 0.00 H new ATOM 784 N SER A 56 -4.362 -0.997 2.686 1.00 0.00 N ATOM 785 CA SER A 56 -3.125 -1.221 1.948 1.00 0.00 C ATOM 786 C SER A 56 -2.981 -2.689 1.560 1.00 0.00 C ATOM 787 O SER A 56 -3.115 -3.050 0.392 1.00 0.00 O ATOM 788 CB SER A 56 -1.921 -0.783 2.785 1.00 0.00 C ATOM 789 OG SER A 56 -1.981 -1.332 4.090 1.00 0.00 O ATOM 0 H SER A 56 -4.275 -0.349 3.469 1.00 0.00 H new ATOM 0 HA SER A 56 -3.162 -0.625 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.000 -1.099 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.893 0.305 2.846 1.00 0.00 H new ATOM 0 HG SER A 56 -1.541 -0.725 4.721 1.00 0.00 H new ATOM 795 N GLY A 57 -2.707 -3.533 2.551 1.00 0.00 N ATOM 796 CA GLY A 57 -2.549 -4.953 2.294 1.00 0.00 C ATOM 797 C GLY A 57 -3.557 -5.476 1.290 1.00 0.00 C ATOM 798 O GLY A 57 -3.184 -6.036 0.260 1.00 0.00 O ATOM 0 H GLY A 57 -2.592 -3.259 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.541 -5.142 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.654 -5.502 3.230 1.00 0.00 H new ATOM 802 N SER A 58 -4.839 -5.294 1.591 1.00 0.00 N ATOM 803 CA SER A 58 -5.904 -5.757 0.710 1.00 0.00 C ATOM 804 C SER A 58 -5.674 -5.277 -0.720 1.00 0.00 C ATOM 805 O SER A 58 -5.537 -6.081 -1.643 1.00 0.00 O ATOM 806 CB SER A 58 -7.262 -5.264 1.213 1.00 0.00 C ATOM 807 OG SER A 58 -7.627 -5.915 2.418 1.00 0.00 O ATOM 0 H SER A 58 -5.165 -4.829 2.438 1.00 0.00 H new ATOM 0 HA SER A 58 -5.897 -6.847 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.224 -4.187 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.022 -5.445 0.453 1.00 0.00 H new ATOM 0 HG SER A 58 -8.498 -5.581 2.719 1.00 0.00 H new ATOM 813 N LEU A 59 -5.632 -3.961 -0.895 1.00 0.00 N ATOM 814 CA LEU A 59 -5.418 -3.371 -2.212 1.00 0.00 C ATOM 815 C LEU A 59 -4.465 -4.225 -3.043 1.00 0.00 C ATOM 816 O LEU A 59 -4.811 -4.675 -4.136 1.00 0.00 O ATOM 817 CB LEU A 59 -4.860 -1.953 -2.073 1.00 0.00 C ATOM 818 CG LEU A 59 -4.604 -1.202 -3.380 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.915 -0.904 -4.091 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.835 0.084 -3.113 1.00 0.00 C ATOM 0 H LEU A 59 -5.743 -3.282 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.379 -3.328 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.555 -1.368 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.923 -2.005 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.000 -1.836 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.712 -0.369 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.428 -1.839 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.546 -0.290 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.661 0.606 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.414 0.722 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.878 -0.154 -2.648 1.00 0.00 H new ATOM 832 N LEU A 60 -3.266 -4.446 -2.517 1.00 0.00 N ATOM 833 CA LEU A 60 -2.263 -5.248 -3.209 1.00 0.00 C ATOM 834 C LEU A 60 -2.730 -6.692 -3.360 1.00 0.00 C ATOM 835 O LEU A 60 -2.529 -7.315 -4.403 1.00 0.00 O ATOM 836 CB LEU A 60 -0.935 -5.207 -2.450 1.00 0.00 C ATOM 837 CG LEU A 60 -0.209 -3.861 -2.441 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.719 -3.764 -1.241 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.567 -3.665 -3.735 1.00 0.00 C ATOM 0 H LEU A 60 -2.964 -4.081 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.119 -4.825 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.120 -5.504 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.269 -5.954 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.953 -3.069 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.227 -2.800 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.138 -3.859 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.458 -4.564 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.077 -2.702 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.302 -4.463 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.122 -3.690 -4.580 1.00 0.00 H new ATOM 851 N ARG A 61 -3.358 -7.218 -2.313 1.00 0.00 N ATOM 852 CA ARG A 61 -3.855 -8.588 -2.329 1.00 0.00 C ATOM 853 C ARG A 61 -4.877 -8.782 -3.445 1.00 0.00 C ATOM 854 O ARG A 61 -5.017 -9.878 -3.989 1.00 0.00 O ATOM 855 CB ARG A 61 -4.484 -8.942 -0.980 1.00 0.00 C ATOM 856 CG ARG A 61 -3.465 -9.222 0.112 1.00 0.00 C ATOM 857 CD ARG A 61 -4.009 -10.200 1.142 1.00 0.00 C ATOM 858 NE ARG A 61 -4.808 -9.530 2.164 1.00 0.00 N ATOM 859 CZ ARG A 61 -4.285 -8.856 3.182 1.00 0.00 C ATOM 860 NH1 ARG A 61 -2.969 -8.762 3.312 1.00 0.00 N ATOM 861 NH2 ARG A 61 -5.078 -8.273 4.072 1.00 0.00 N ATOM 0 H ARG A 61 -3.534 -6.716 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.010 -9.252 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.128 -8.122 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.121 -9.818 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.556 -9.627 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.191 -8.289 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.618 -10.952 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.180 -10.725 1.616 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.824 -9.582 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.356 -9.208 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.570 -8.244 4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.091 -8.342 3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.675 -7.756 4.853 1.00 0.00 H new ATOM 875 N SER A 62 -5.590 -7.712 -3.781 1.00 0.00 N ATOM 876 CA SER A 62 -6.602 -7.765 -4.829 1.00 0.00 C ATOM 877 C SER A 62 -5.990 -7.452 -6.192 1.00 0.00 C ATOM 878 O SER A 62 -6.500 -7.881 -7.227 1.00 0.00 O ATOM 879 CB SER A 62 -7.732 -6.779 -4.527 1.00 0.00 C ATOM 880 OG SER A 62 -7.219 -5.502 -4.193 1.00 0.00 O ATOM 0 H SER A 62 -5.485 -6.797 -3.342 1.00 0.00 H new ATOM 0 HA SER A 62 -7.009 -8.776 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.387 -6.696 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.339 -7.157 -3.704 1.00 0.00 H new ATOM 0 HG SER A 62 -6.294 -5.429 -4.507 1.00 0.00 H new ATOM 886 N TYR A 63 -4.895 -6.701 -6.183 1.00 0.00 N ATOM 887 CA TYR A 63 -4.214 -6.327 -7.417 1.00 0.00 C ATOM 888 C TYR A 63 -3.560 -7.542 -8.067 1.00 0.00 C ATOM 889 O TYR A 63 -3.353 -7.574 -9.280 1.00 0.00 O ATOM 890 CB TYR A 63 -3.160 -5.254 -7.138 1.00 0.00 C ATOM 891 CG TYR A 63 -2.315 -4.907 -8.343 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.896 -4.409 -9.502 1.00 0.00 C ATOM 893 CD2 TYR A 63 -0.937 -5.079 -8.322 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.129 -4.091 -10.606 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.161 -4.763 -9.421 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.762 -4.269 -10.560 1.00 0.00 C ATOM 897 OH TYR A 63 0.007 -3.954 -11.657 1.00 0.00 O ATOM 0 H TYR A 63 -4.459 -6.339 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.958 -5.925 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.658 -4.352 -6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.508 -5.597 -6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.966 -4.268 -9.541 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.464 -5.466 -7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.597 -3.705 -11.500 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.910 -4.902 -9.388 1.00 0.00 H new ATOM 0 HH TYR A 63 0.650 -4.674 -11.823 1.00 0.00 H new ATOM 907 N GLU A 64 -3.237 -8.540 -7.250 1.00 0.00 N ATOM 908 CA GLU A 64 -2.605 -9.758 -7.746 1.00 0.00 C ATOM 909 C GLU A 64 -3.655 -10.797 -8.129 1.00 0.00 C ATOM 910 O GLU A 64 -3.461 -11.578 -9.062 1.00 0.00 O ATOM 911 CB GLU A 64 -1.661 -10.335 -6.690 1.00 0.00 C ATOM 912 CG GLU A 64 -2.378 -11.056 -5.561 1.00 0.00 C ATOM 913 CD GLU A 64 -1.440 -11.894 -4.715 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.467 -11.331 -4.172 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.679 -13.114 -4.595 1.00 0.00 O ATOM 0 H GLU A 64 -3.402 -8.529 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.030 -9.503 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.971 -11.028 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.061 -9.527 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.877 -10.324 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.154 -11.697 -5.979 1.00 0.00 H new ATOM 922 N LEU A 65 -4.767 -10.802 -7.402 1.00 0.00 N ATOM 923 CA LEU A 65 -5.848 -11.746 -7.664 1.00 0.00 C ATOM 924 C LEU A 65 -6.511 -11.456 -9.006 1.00 0.00 C ATOM 925 O LEU A 65 -6.870 -12.373 -9.744 1.00 0.00 O ATOM 926 CB LEU A 65 -6.888 -11.684 -6.544 1.00 0.00 C ATOM 927 CG LEU A 65 -6.465 -12.281 -5.201 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.446 -11.885 -4.108 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.358 -13.796 -5.301 1.00 0.00 C ATOM 0 H LEU A 65 -4.944 -10.163 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.421 -12.748 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.160 -10.640 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.787 -12.200 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.484 -11.884 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.129 -12.319 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.473 -10.799 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.440 -12.253 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.056 -14.204 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.325 -14.211 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.616 -14.059 -6.055 1.00 0.00 H new ATOM 941 N ALA A 66 -6.668 -10.173 -9.317 1.00 0.00 N ATOM 942 CA ALA A 66 -7.284 -9.761 -10.573 1.00 0.00 C ATOM 943 C ALA A 66 -6.421 -10.162 -11.765 1.00 0.00 C ATOM 944 O ALA A 66 -6.920 -10.327 -12.877 1.00 0.00 O ATOM 945 CB ALA A 66 -7.526 -8.259 -10.574 1.00 0.00 C ATOM 0 H ALA A 66 -6.377 -9.401 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.243 -10.272 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.986 -7.965 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.189 -7.997 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.576 -7.737 -10.456 1.00 0.00 H new ATOM 951 N GLY A 67 -5.122 -10.315 -11.524 1.00 0.00 N ATOM 952 CA GLY A 67 -4.211 -10.694 -12.588 1.00 0.00 C ATOM 953 C GLY A 67 -3.221 -9.596 -12.922 1.00 0.00 C ATOM 954 O GLY A 67 -2.814 -9.446 -14.073 1.00 0.00 O ATOM 0 H GLY A 67 -4.685 -10.183 -10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.667 -11.592 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.784 -10.946 -13.480 1.00 0.00 H new ATOM 958 N GLY A 68 -2.833 -8.824 -11.911 1.00 0.00 N ATOM 959 CA GLY A 68 -1.889 -7.742 -12.124 1.00 0.00 C ATOM 960 C GLY A 68 -0.451 -8.182 -11.934 1.00 0.00 C ATOM 961 O GLY A 68 -0.188 -9.236 -11.354 1.00 0.00 O ATOM 0 H GLY A 68 -3.155 -8.929 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.015 -7.347 -13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.111 -6.929 -11.433 1.00 0.00 H new ATOM 965 N ASP A 69 0.483 -7.375 -12.426 1.00 0.00 N ATOM 966 CA ASP A 69 1.902 -7.687 -12.308 1.00 0.00 C ATOM 967 C ASP A 69 2.665 -6.522 -11.685 1.00 0.00 C ATOM 968 O ASP A 69 2.148 -5.408 -11.589 1.00 0.00 O ATOM 969 CB ASP A 69 2.489 -8.020 -13.681 1.00 0.00 C ATOM 970 CG ASP A 69 2.087 -9.400 -14.163 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.914 -9.779 -13.966 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.947 -10.101 -14.737 1.00 0.00 O ATOM 0 H ASP A 69 0.282 -6.500 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 69 2.004 -8.555 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.158 -7.275 -14.405 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.576 -7.957 -13.633 1.00 0.00 H new ATOM 977 N LEU A 70 3.896 -6.787 -11.261 1.00 0.00 N ATOM 978 CA LEU A 70 4.730 -5.761 -10.645 1.00 0.00 C ATOM 979 C LEU A 70 4.824 -4.527 -11.537 1.00 0.00 C ATOM 980 O LEU A 70 4.628 -3.401 -11.079 1.00 0.00 O ATOM 981 CB LEU A 70 6.130 -6.312 -10.369 1.00 0.00 C ATOM 982 CG LEU A 70 6.975 -5.525 -9.366 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.330 -5.551 -7.989 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.389 -6.085 -9.305 1.00 0.00 C ATOM 0 H LEU A 70 4.338 -7.703 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 70 4.268 -5.470 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.031 -7.335 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.673 -6.359 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 70 7.030 -4.489 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.945 -4.986 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.338 -5.103 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.244 -6.582 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.976 -5.513 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.354 -7.129 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.851 -6.014 -10.290 1.00 0.00 H new ATOM 996 N ALA A 71 5.123 -4.747 -12.813 1.00 0.00 N ATOM 997 CA ALA A 71 5.238 -3.654 -13.771 1.00 0.00 C ATOM 998 C ALA A 71 4.010 -2.751 -13.723 1.00 0.00 C ATOM 999 O ALA A 71 4.125 -1.539 -13.551 1.00 0.00 O ATOM 1000 CB ALA A 71 5.439 -4.202 -15.176 1.00 0.00 C ATOM 0 H ALA A 71 5.290 -5.673 -13.208 1.00 0.00 H new ATOM 0 HA ALA A 71 6.107 -3.055 -13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.523 -3.375 -15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.350 -4.799 -15.207 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.588 -4.825 -15.449 1.00 0.00 H new ATOM 1006 N GLY A 72 2.833 -3.351 -13.878 1.00 0.00 N ATOM 1007 CA GLY A 72 1.601 -2.586 -13.851 1.00 0.00 C ATOM 1008 C GLY A 72 1.546 -1.616 -12.687 1.00 0.00 C ATOM 1009 O GLY A 72 1.060 -0.493 -12.828 1.00 0.00 O ATOM 0 H GLY A 72 2.712 -4.353 -14.022 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.499 -2.034 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.754 -3.269 -13.791 1.00 0.00 H new ATOM 1013 N LEU A 73 2.045 -2.049 -11.535 1.00 0.00 N ATOM 1014 CA LEU A 73 2.049 -1.211 -10.340 1.00 0.00 C ATOM 1015 C LEU A 73 3.148 -0.156 -10.420 1.00 0.00 C ATOM 1016 O LEU A 73 2.918 1.018 -10.129 1.00 0.00 O ATOM 1017 CB LEU A 73 2.242 -2.072 -9.091 1.00 0.00 C ATOM 1018 CG LEU A 73 1.718 -1.481 -7.781 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.208 -1.306 -7.842 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.107 -2.364 -6.604 1.00 0.00 C ATOM 0 H LEU A 73 2.452 -2.975 -11.402 1.00 0.00 H new ATOM 0 HA LEU A 73 1.087 -0.703 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.751 -3.031 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.307 -2.275 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 73 2.172 -0.500 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.148 -0.885 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.048 -0.633 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.264 -2.274 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.726 -1.928 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.681 -3.358 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.193 -2.439 -6.549 1.00 0.00 H new ATOM 1032 N LEU A 74 4.342 -0.582 -10.817 1.00 0.00 N ATOM 1033 CA LEU A 74 5.477 0.326 -10.937 1.00 0.00 C ATOM 1034 C LEU A 74 5.146 1.492 -11.863 1.00 0.00 C ATOM 1035 O LEU A 74 5.610 2.612 -11.656 1.00 0.00 O ATOM 1036 CB LEU A 74 6.703 -0.424 -11.460 1.00 0.00 C ATOM 1037 CG LEU A 74 7.281 -1.495 -10.534 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.168 -2.453 -11.314 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.058 -0.852 -9.395 1.00 0.00 C ATOM 0 H LEU A 74 4.549 -1.550 -11.061 1.00 0.00 H new ATOM 0 HA LEU A 74 5.698 0.724 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.439 -0.895 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.486 0.304 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 74 6.455 -2.064 -10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.570 -3.208 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.581 -2.939 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.989 -1.899 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.462 -1.629 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.876 -0.258 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.393 -0.208 -8.819 1.00 0.00 H new ATOM 1051 N GLU A 75 4.339 1.219 -12.884 1.00 0.00 N ATOM 1052 CA GLU A 75 3.946 2.246 -13.841 1.00 0.00 C ATOM 1053 C GLU A 75 3.018 3.269 -13.191 1.00 0.00 C ATOM 1054 O GLU A 75 3.184 4.475 -13.370 1.00 0.00 O ATOM 1055 CB GLU A 75 3.255 1.611 -15.050 1.00 0.00 C ATOM 1056 CG GLU A 75 2.258 2.530 -15.734 1.00 0.00 C ATOM 1057 CD GLU A 75 2.923 3.719 -16.401 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.700 4.421 -15.721 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.666 3.946 -17.602 1.00 0.00 O ATOM 0 H GLU A 75 3.945 0.296 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 75 4.848 2.759 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.012 1.308 -15.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.740 0.705 -14.729 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.701 1.964 -16.481 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.536 2.887 -15.000 1.00 0.00 H new ATOM 1066 N ALA A 76 2.041 2.777 -12.436 1.00 0.00 N ATOM 1067 CA ALA A 76 1.088 3.647 -11.758 1.00 0.00 C ATOM 1068 C ALA A 76 1.777 4.490 -10.690 1.00 0.00 C ATOM 1069 O ALA A 76 1.658 5.716 -10.680 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.032 2.822 -11.140 1.00 0.00 C ATOM 0 H ALA A 76 1.889 1.781 -12.279 1.00 0.00 H new ATOM 0 HA ALA A 76 0.661 4.324 -12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.737 3.484 -10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.550 2.268 -11.923 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.388 2.122 -10.417 1.00 0.00 H new ATOM 1076 N LEU A 77 2.498 3.826 -9.793 1.00 0.00 N ATOM 1077 CA LEU A 77 3.206 4.515 -8.720 1.00 0.00 C ATOM 1078 C LEU A 77 4.038 5.669 -9.270 1.00 0.00 C ATOM 1079 O LEU A 77 3.998 6.782 -8.745 1.00 0.00 O ATOM 1080 CB LEU A 77 4.107 3.535 -7.966 1.00 0.00 C ATOM 1081 CG LEU A 77 3.394 2.414 -7.209 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.394 1.375 -6.728 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.604 2.979 -6.038 1.00 0.00 C ATOM 0 H LEU A 77 2.608 2.812 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 77 2.465 4.922 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.796 3.083 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.710 4.100 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 77 2.696 1.928 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.868 0.585 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.915 0.947 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.117 1.847 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.103 2.167 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.282 3.491 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.860 3.685 -6.408 1.00 0.00 H new ATOM 1095 N SER A 78 4.791 5.396 -10.331 1.00 0.00 N ATOM 1096 CA SER A 78 5.634 6.411 -10.951 1.00 0.00 C ATOM 1097 C SER A 78 4.806 7.621 -11.374 1.00 0.00 C ATOM 1098 O SER A 78 5.055 8.742 -10.930 1.00 0.00 O ATOM 1099 CB SER A 78 6.361 5.828 -12.164 1.00 0.00 C ATOM 1100 OG SER A 78 7.404 6.685 -12.594 1.00 0.00 O ATOM 0 H SER A 78 4.834 4.481 -10.779 1.00 0.00 H new ATOM 0 HA SER A 78 6.370 6.735 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.771 4.850 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.652 5.676 -12.978 1.00 0.00 H new ATOM 0 HG SER A 78 7.854 6.289 -13.369 1.00 0.00 H new ATOM 1106 N ASP A 79 3.821 7.385 -12.233 1.00 0.00 N ATOM 1107 CA ASP A 79 2.955 8.454 -12.715 1.00 0.00 C ATOM 1108 C ASP A 79 2.452 9.310 -11.557 1.00 0.00 C ATOM 1109 O ASP A 79 2.327 10.528 -11.681 1.00 0.00 O ATOM 1110 CB ASP A 79 1.770 7.871 -13.487 1.00 0.00 C ATOM 1111 CG ASP A 79 1.258 8.812 -14.560 1.00 0.00 C ATOM 1112 OD1 ASP A 79 1.201 10.032 -14.300 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.913 8.328 -15.658 1.00 0.00 O ATOM 0 H ASP A 79 3.602 6.463 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 79 3.538 9.087 -13.384 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.068 6.929 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.962 7.645 -12.791 1.00 0.00 H new ATOM 1118 N MET A 80 2.163 8.664 -10.432 1.00 0.00 N ATOM 1119 CA MET A 80 1.673 9.366 -9.252 1.00 0.00 C ATOM 1120 C MET A 80 2.798 10.142 -8.575 1.00 0.00 C ATOM 1121 O MET A 80 2.577 11.217 -8.019 1.00 0.00 O ATOM 1122 CB MET A 80 1.054 8.377 -8.263 1.00 0.00 C ATOM 1123 CG MET A 80 -0.237 7.748 -8.761 1.00 0.00 C ATOM 1124 SD MET A 80 -0.925 6.557 -7.595 1.00 0.00 S ATOM 1125 CE MET A 80 -0.916 7.519 -6.084 1.00 0.00 C ATOM 0 H MET A 80 2.260 7.656 -10.313 1.00 0.00 H new ATOM 0 HA MET A 80 0.909 10.074 -9.573 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.775 7.588 -8.052 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.859 8.891 -7.322 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.970 8.533 -8.948 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.051 7.252 -9.714 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.627 7.092 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.083 7.503 -5.649 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.199 8.548 -6.306 1.00 0.00 H new ATOM 1135 N GLY A 81 4.007 9.589 -8.626 1.00 0.00 N ATOM 1136 CA GLY A 81 5.148 10.244 -8.013 1.00 0.00 C ATOM 1137 C GLY A 81 5.832 9.370 -6.981 1.00 0.00 C ATOM 1138 O GLY A 81 7.010 9.561 -6.676 1.00 0.00 O ATOM 0 H GLY A 81 4.216 8.700 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.866 10.517 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.821 11.170 -7.541 1.00 0.00 H new ATOM 1142 N LEU A 82 5.092 8.408 -6.439 1.00 0.00 N ATOM 1143 CA LEU A 82 5.634 7.502 -5.432 1.00 0.00 C ATOM 1144 C LEU A 82 6.874 6.785 -5.956 1.00 0.00 C ATOM 1145 O LEU A 82 6.784 5.684 -6.498 1.00 0.00 O ATOM 1146 CB LEU A 82 4.576 6.477 -5.018 1.00 0.00 C ATOM 1147 CG LEU A 82 3.246 7.049 -4.524 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.124 6.043 -4.731 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.347 7.444 -3.058 1.00 0.00 C ATOM 0 H LEU A 82 4.116 8.236 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 82 5.919 8.094 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.375 5.827 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.994 5.850 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 82 3.018 7.943 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.185 6.466 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.036 5.809 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.345 5.132 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.392 7.849 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.598 6.567 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.123 8.199 -2.937 1.00 0.00 H new ATOM 1161 N GLU A 83 8.032 7.416 -5.788 1.00 0.00 N ATOM 1162 CA GLU A 83 9.290 6.837 -6.243 1.00 0.00 C ATOM 1163 C GLU A 83 9.772 5.757 -5.279 1.00 0.00 C ATOM 1164 O GLU A 83 10.183 4.675 -5.698 1.00 0.00 O ATOM 1165 CB GLU A 83 10.357 7.925 -6.382 1.00 0.00 C ATOM 1166 CG GLU A 83 10.649 8.661 -5.085 1.00 0.00 C ATOM 1167 CD GLU A 83 11.703 7.968 -4.244 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.631 7.371 -4.830 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.601 8.022 -3.001 1.00 0.00 O ATOM 0 H GLU A 83 8.125 8.328 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 83 9.118 6.380 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.279 7.473 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.034 8.645 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.980 9.674 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.729 8.749 -4.507 1.00 0.00 H new ATOM 1176 N GLU A 84 9.719 6.060 -3.985 1.00 0.00 N ATOM 1177 CA GLU A 84 10.151 5.115 -2.962 1.00 0.00 C ATOM 1178 C GLU A 84 9.595 3.722 -3.238 1.00 0.00 C ATOM 1179 O GLU A 84 10.345 2.784 -3.507 1.00 0.00 O ATOM 1180 CB GLU A 84 9.705 5.590 -1.578 1.00 0.00 C ATOM 1181 CG GLU A 84 10.610 5.119 -0.452 1.00 0.00 C ATOM 1182 CD GLU A 84 10.321 5.820 0.861 1.00 0.00 C ATOM 1183 OE1 GLU A 84 9.853 6.978 0.826 1.00 0.00 O ATOM 1184 OE2 GLU A 84 10.563 5.211 1.924 1.00 0.00 O ATOM 0 H GLU A 84 9.382 6.951 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 84 11.239 5.063 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.668 6.679 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.691 5.235 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.489 4.044 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.650 5.291 -0.730 1.00 0.00 H new ATOM 1191 N GLY A 85 8.273 3.594 -3.169 1.00 0.00 N ATOM 1192 CA GLY A 85 7.638 2.312 -3.413 1.00 0.00 C ATOM 1193 C GLY A 85 8.229 1.590 -4.607 1.00 0.00 C ATOM 1194 O GLY A 85 8.541 0.401 -4.532 1.00 0.00 O ATOM 0 H GLY A 85 7.631 4.355 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.739 1.685 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.571 2.464 -3.576 1.00 0.00 H new ATOM 1198 N VAL A 86 8.383 2.309 -5.715 1.00 0.00 N ATOM 1199 CA VAL A 86 8.941 1.729 -6.931 1.00 0.00 C ATOM 1200 C VAL A 86 10.281 1.057 -6.655 1.00 0.00 C ATOM 1201 O VAL A 86 10.404 -0.165 -6.744 1.00 0.00 O ATOM 1202 CB VAL A 86 9.129 2.796 -8.026 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.036 2.274 -9.130 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.783 3.225 -8.589 1.00 0.00 C ATOM 0 H VAL A 86 8.129 3.294 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 86 8.229 0.981 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 86 9.605 3.669 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.157 3.041 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.010 2.022 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.591 1.384 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.935 3.979 -9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.277 2.361 -9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.171 3.643 -7.790 1.00 0.00 H new ATOM 1214 N ARG A 87 11.283 1.863 -6.321 1.00 0.00 N ATOM 1215 CA ARG A 87 12.616 1.347 -6.033 1.00 0.00 C ATOM 1216 C ARG A 87 12.547 0.184 -5.047 1.00 0.00 C ATOM 1217 O ARG A 87 13.214 -0.836 -5.225 1.00 0.00 O ATOM 1218 CB ARG A 87 13.505 2.456 -5.468 1.00 0.00 C ATOM 1219 CG ARG A 87 13.766 3.587 -6.450 1.00 0.00 C ATOM 1220 CD ARG A 87 14.125 4.877 -5.731 1.00 0.00 C ATOM 1221 NE ARG A 87 14.642 5.889 -6.648 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.867 5.860 -7.160 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.697 4.875 -6.847 1.00 0.00 N ATOM 1224 NH2 ARG A 87 16.264 6.818 -7.989 1.00 0.00 N ATOM 0 H ARG A 87 11.197 2.876 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 87 13.048 0.985 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.037 2.865 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.458 2.025 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.576 3.306 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.881 3.747 -7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.243 5.266 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.870 4.669 -4.963 1.00 0.00 H new ATOM 0 HE ARG A 87 14.028 6.661 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.395 4.137 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.637 4.855 -7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.628 7.577 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.205 6.795 -8.382 1.00 0.00 H new ATOM 1238 N LEU A 88 11.736 0.345 -4.007 1.00 0.00 N ATOM 1239 CA LEU A 88 11.579 -0.691 -2.991 1.00 0.00 C ATOM 1240 C LEU A 88 11.118 -2.003 -3.618 1.00 0.00 C ATOM 1241 O LEU A 88 11.718 -3.055 -3.394 1.00 0.00 O ATOM 1242 CB LEU A 88 10.577 -0.242 -1.926 1.00 0.00 C ATOM 1243 CG LEU A 88 9.970 -1.350 -1.066 1.00 0.00 C ATOM 1244 CD1 LEU A 88 11.042 -2.013 -0.214 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.857 -0.795 -0.189 1.00 0.00 C ATOM 0 H LEU A 88 11.177 1.183 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 88 12.549 -0.855 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.073 0.471 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.766 0.292 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 88 9.543 -2.104 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.591 -2.799 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.805 -2.446 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.499 -1.270 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.436 -1.598 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.260 -0.021 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.076 -0.368 -0.819 1.00 0.00 H new ATOM 1257 N LEU A 89 10.051 -1.933 -4.406 1.00 0.00 N ATOM 1258 CA LEU A 89 9.510 -3.115 -5.069 1.00 0.00 C ATOM 1259 C LEU A 89 10.610 -3.885 -5.792 1.00 0.00 C ATOM 1260 O LEU A 89 10.690 -5.110 -5.695 1.00 0.00 O ATOM 1261 CB LEU A 89 8.417 -2.713 -6.061 1.00 0.00 C ATOM 1262 CG LEU A 89 7.104 -2.223 -5.450 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.353 -1.340 -6.435 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.241 -3.402 -5.024 1.00 0.00 C ATOM 0 H LEU A 89 9.543 -1.070 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 89 9.079 -3.763 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.810 -1.927 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.200 -3.570 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 89 7.337 -1.630 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.421 -1.001 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.967 -0.477 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.132 -1.909 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.311 -3.034 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.017 -4.022 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.776 -3.996 -4.283 1.00 0.00 H new ATOM 1276 N ARG A 90 11.457 -3.159 -6.514 1.00 0.00 N ATOM 1277 CA ARG A 90 12.553 -3.775 -7.252 1.00 0.00 C ATOM 1278 C ARG A 90 13.523 -4.474 -6.304 1.00 0.00 C ATOM 1279 O ARG A 90 14.003 -5.570 -6.588 1.00 0.00 O ATOM 1280 CB ARG A 90 13.298 -2.721 -8.074 1.00 0.00 C ATOM 1281 CG ARG A 90 12.384 -1.854 -8.924 1.00 0.00 C ATOM 1282 CD ARG A 90 12.029 -2.537 -10.236 1.00 0.00 C ATOM 1283 NE ARG A 90 13.217 -2.964 -10.969 1.00 0.00 N ATOM 1284 CZ ARG A 90 13.184 -3.809 -11.994 1.00 0.00 C ATOM 1285 NH1 ARG A 90 12.028 -4.313 -12.405 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.308 -4.150 -12.612 1.00 0.00 N ATOM 0 H ARG A 90 11.405 -2.144 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 90 12.130 -4.520 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.867 -2.082 -7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.018 -3.220 -8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.472 -1.632 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.872 -0.901 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.397 -3.402 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.447 -1.854 -10.855 1.00 0.00 H new ATOM 0 HE ARG A 90 14.122 -2.593 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.162 -4.052 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.005 -4.961 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.199 -3.763 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.281 -4.799 -13.399 1.00 0.00 H new