USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 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 45 GLN : amide:sc= -4.22! C(o=-6.4!,f=-12!) USER MOD Set 1.2: A 67 GLN : amide:sc= -2.14! C(o=-6.4!,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.0448 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.29) USER MOD Single : A 21 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.5!) USER MOD Single : A 22 SER OG : rot 160:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.302 K(o=-0.3,f=-3!) USER MOD Single : A 29 SER OG : rot 10:sc= 0.251 USER MOD Single : A 32 GLN : amide:sc= -0.816 K(o=-0.82,f=-9.7!) USER MOD Single : A 34 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -54:sc= 0.93 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -68:sc= 0.0117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.397 3.423 -10.225 1.00 0.00 N ATOM 2 CA GLY A 1 -17.949 4.414 -9.261 1.00 0.00 C ATOM 3 C GLY A 1 -19.130 5.216 -8.710 1.00 0.00 C ATOM 4 O GLY A 1 -19.398 6.327 -9.166 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.578 2.892 -10.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.060 2.767 -9.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.874 3.900 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.427 3.920 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.235 5.089 -9.733 1.00 0.00 H new ATOM 8 N SER A 2 -19.806 4.622 -7.738 1.00 0.00 N ATOM 9 CA SER A 2 -20.952 5.267 -7.120 1.00 0.00 C ATOM 10 C SER A 2 -20.504 6.078 -5.903 1.00 0.00 C ATOM 11 O SER A 2 -19.536 5.717 -5.235 1.00 0.00 O ATOM 12 CB SER A 2 -22.010 4.239 -6.713 1.00 0.00 C ATOM 13 OG SER A 2 -23.330 4.769 -6.796 1.00 0.00 O ATOM 0 H SER A 2 -19.582 3.700 -7.363 1.00 0.00 H new ATOM 0 HA SER A 2 -21.400 5.940 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.930 3.363 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.817 3.905 -5.694 1.00 0.00 H new ATOM 0 HG SER A 2 -23.976 4.082 -6.530 1.00 0.00 H new ATOM 19 N SER A 3 -21.229 7.158 -5.651 1.00 0.00 N ATOM 20 CA SER A 3 -20.918 8.023 -4.526 1.00 0.00 C ATOM 21 C SER A 3 -21.719 7.590 -3.296 1.00 0.00 C ATOM 22 O SER A 3 -22.144 8.428 -2.502 1.00 0.00 O ATOM 23 CB SER A 3 -21.207 9.487 -4.860 1.00 0.00 C ATOM 24 OG SER A 3 -22.605 9.751 -4.938 1.00 0.00 O ATOM 0 H SER A 3 -22.031 7.454 -6.207 1.00 0.00 H new ATOM 0 HA SER A 3 -19.854 7.932 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.759 10.127 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.736 9.742 -5.810 1.00 0.00 H new ATOM 0 HG SER A 3 -22.748 10.697 -5.151 1.00 0.00 H new ATOM 30 N GLY A 4 -21.901 6.283 -3.178 1.00 0.00 N ATOM 31 CA GLY A 4 -22.643 5.730 -2.058 1.00 0.00 C ATOM 32 C GLY A 4 -21.712 4.993 -1.093 1.00 0.00 C ATOM 33 O GLY A 4 -20.711 4.414 -1.512 1.00 0.00 O ATOM 0 H GLY A 4 -21.548 5.591 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.160 6.531 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.407 5.045 -2.426 1.00 0.00 H new ATOM 37 N SER A 5 -22.076 5.037 0.180 1.00 0.00 N ATOM 38 CA SER A 5 -21.286 4.381 1.208 1.00 0.00 C ATOM 39 C SER A 5 -22.076 4.321 2.516 1.00 0.00 C ATOM 40 O SER A 5 -22.491 5.352 3.043 1.00 0.00 O ATOM 41 CB SER A 5 -19.955 5.103 1.424 1.00 0.00 C ATOM 42 OG SER A 5 -20.125 6.512 1.546 1.00 0.00 O ATOM 0 H SER A 5 -22.908 5.517 0.523 1.00 0.00 H new ATOM 0 HA SER A 5 -21.068 3.366 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.475 4.717 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.287 4.889 0.589 1.00 0.00 H new ATOM 0 HG SER A 5 -20.936 6.700 2.063 1.00 0.00 H new ATOM 48 N SER A 6 -22.261 3.103 3.004 1.00 0.00 N ATOM 49 CA SER A 6 -22.994 2.895 4.241 1.00 0.00 C ATOM 50 C SER A 6 -22.239 1.911 5.137 1.00 0.00 C ATOM 51 O SER A 6 -21.879 2.243 6.265 1.00 0.00 O ATOM 52 CB SER A 6 -24.408 2.383 3.964 1.00 0.00 C ATOM 53 OG SER A 6 -25.335 2.808 4.960 1.00 0.00 O ATOM 0 H SER A 6 -21.916 2.250 2.565 1.00 0.00 H new ATOM 0 HA SER A 6 -23.078 3.853 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.737 2.738 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.397 1.294 3.920 1.00 0.00 H new ATOM 0 HG SER A 6 -26.227 2.462 4.746 1.00 0.00 H new ATOM 59 N GLY A 7 -22.022 0.719 4.601 1.00 0.00 N ATOM 60 CA GLY A 7 -21.317 -0.316 5.338 1.00 0.00 C ATOM 61 C GLY A 7 -20.212 -0.942 4.484 1.00 0.00 C ATOM 62 O GLY A 7 -19.788 -0.359 3.487 1.00 0.00 O ATOM 0 H GLY A 7 -22.322 0.447 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.885 0.108 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.020 -1.087 5.651 1.00 0.00 H new ATOM 66 N SER A 8 -19.778 -2.120 4.906 1.00 0.00 N ATOM 67 CA SER A 8 -18.730 -2.831 4.192 1.00 0.00 C ATOM 68 C SER A 8 -18.973 -4.339 4.273 1.00 0.00 C ATOM 69 O SER A 8 -19.112 -5.005 3.249 1.00 0.00 O ATOM 70 CB SER A 8 -17.349 -2.485 4.753 1.00 0.00 C ATOM 71 OG SER A 8 -16.304 -2.836 3.850 1.00 0.00 O ATOM 0 H SER A 8 -20.132 -2.600 5.733 1.00 0.00 H new ATOM 0 HA SER A 8 -18.756 -2.521 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.301 -1.417 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.201 -3.006 5.699 1.00 0.00 H new ATOM 0 HG SER A 8 -15.438 -2.598 4.243 1.00 0.00 H new ATOM 77 N ARG A 9 -19.016 -4.834 5.502 1.00 0.00 N ATOM 78 CA ARG A 9 -19.240 -6.252 5.730 1.00 0.00 C ATOM 79 C ARG A 9 -18.080 -7.071 5.159 1.00 0.00 C ATOM 80 O ARG A 9 -18.084 -7.421 3.980 1.00 0.00 O ATOM 81 CB ARG A 9 -20.548 -6.714 5.084 1.00 0.00 C ATOM 82 CG ARG A 9 -21.181 -7.855 5.884 1.00 0.00 C ATOM 83 CD ARG A 9 -21.746 -8.929 4.953 1.00 0.00 C ATOM 84 NE ARG A 9 -22.138 -10.122 5.737 1.00 0.00 N ATOM 85 CZ ARG A 9 -22.512 -11.288 5.193 1.00 0.00 C ATOM 86 NH1 ARG A 9 -22.548 -11.425 3.860 1.00 0.00 N ATOM 87 NH2 ARG A 9 -22.851 -12.317 5.981 1.00 0.00 N ATOM 0 H ARG A 9 -18.900 -4.279 6.350 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.305 -6.409 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.244 -5.877 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -20.357 -7.043 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.436 -8.297 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.977 -7.462 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.609 -8.538 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -21.001 -9.203 4.206 1.00 0.00 H new ATOM 0 HE ARG A 9 -22.122 -10.052 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -22.291 -10.642 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.833 -12.313 3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.824 -12.213 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.136 -13.204 5.567 1.00 0.00 H new ATOM 101 N GLN A 10 -17.115 -7.352 6.023 1.00 0.00 N ATOM 102 CA GLN A 10 -15.951 -8.122 5.619 1.00 0.00 C ATOM 103 C GLN A 10 -15.394 -8.905 6.810 1.00 0.00 C ATOM 104 O GLN A 10 -15.495 -8.460 7.952 1.00 0.00 O ATOM 105 CB GLN A 10 -14.879 -7.218 5.009 1.00 0.00 C ATOM 106 CG GLN A 10 -14.978 -7.204 3.482 1.00 0.00 C ATOM 107 CD GLN A 10 -13.878 -8.063 2.853 1.00 0.00 C ATOM 108 OE1 GLN A 10 -14.025 -9.258 2.656 1.00 0.00 O ATOM 109 NE2 GLN A 10 -12.772 -7.389 2.552 1.00 0.00 N ATOM 0 H GLN A 10 -17.116 -7.060 7.000 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.259 -8.833 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.991 -6.204 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.891 -7.566 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.955 -7.576 3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.897 -6.180 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.716 -6.389 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.979 -7.872 2.129 1.00 0.00 H new ATOM 118 N ALA A 11 -14.820 -10.059 6.503 1.00 0.00 N ATOM 119 CA ALA A 11 -14.247 -10.908 7.533 1.00 0.00 C ATOM 120 C ALA A 11 -12.731 -10.704 7.572 1.00 0.00 C ATOM 121 O ALA A 11 -12.039 -10.978 6.593 1.00 0.00 O ATOM 122 CB ALA A 11 -14.633 -12.365 7.268 1.00 0.00 C ATOM 0 H ALA A 11 -14.740 -10.426 5.555 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.641 -10.640 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.203 -13.002 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.719 -12.462 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.253 -12.671 6.293 1.00 0.00 H new ATOM 128 N PRO A 12 -12.247 -10.212 8.744 1.00 0.00 N ATOM 129 CA PRO A 12 -10.826 -9.968 8.923 1.00 0.00 C ATOM 130 C PRO A 12 -10.065 -11.281 9.120 1.00 0.00 C ATOM 131 O PRO A 12 -10.003 -11.806 10.231 1.00 0.00 O ATOM 132 CB PRO A 12 -10.735 -9.043 10.125 1.00 0.00 C ATOM 133 CG PRO A 12 -12.061 -9.175 10.855 1.00 0.00 C ATOM 134 CD PRO A 12 -13.037 -9.876 9.925 1.00 0.00 C ATOM 0 HA PRO A 12 -10.364 -9.510 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.904 -9.324 10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.562 -8.013 9.813 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.935 -9.745 11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.441 -8.193 11.137 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.455 -10.769 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.875 -9.228 9.669 1.00 0.00 H new ATOM 142 N ILE A 13 -9.506 -11.773 8.025 1.00 0.00 N ATOM 143 CA ILE A 13 -8.752 -13.015 8.063 1.00 0.00 C ATOM 144 C ILE A 13 -7.282 -12.723 7.752 1.00 0.00 C ATOM 145 O ILE A 13 -6.966 -12.153 6.709 1.00 0.00 O ATOM 146 CB ILE A 13 -9.382 -14.054 7.133 1.00 0.00 C ATOM 147 CG1 ILE A 13 -9.768 -13.427 5.792 1.00 0.00 C ATOM 148 CG2 ILE A 13 -10.571 -14.742 7.807 1.00 0.00 C ATOM 149 CD1 ILE A 13 -9.983 -14.503 4.725 1.00 0.00 C ATOM 0 H ILE A 13 -9.560 -11.335 7.106 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.788 -13.452 9.061 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.638 -14.824 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.679 -12.840 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.985 -12.741 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.001 -15.476 7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.235 -15.243 8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.325 -13.998 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.256 -14.030 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.063 -15.073 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.783 -15.173 5.040 1.00 0.00 H new ATOM 161 N ALA A 14 -6.423 -13.128 8.676 1.00 0.00 N ATOM 162 CA ALA A 14 -4.995 -12.917 8.514 1.00 0.00 C ATOM 163 C ALA A 14 -4.248 -13.624 9.646 1.00 0.00 C ATOM 164 O ALA A 14 -3.611 -12.975 10.475 1.00 0.00 O ATOM 165 CB ALA A 14 -4.702 -11.416 8.470 1.00 0.00 C ATOM 0 H ALA A 14 -6.689 -13.601 9.540 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.648 -13.344 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.630 -11.258 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.233 -10.966 7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.034 -10.953 9.399 1.00 0.00 H new ATOM 171 N ASN A 15 -4.350 -14.945 9.645 1.00 0.00 N ATOM 172 CA ASN A 15 -3.691 -15.747 10.663 1.00 0.00 C ATOM 173 C ASN A 15 -2.216 -15.918 10.295 1.00 0.00 C ATOM 174 O ASN A 15 -1.852 -15.847 9.122 1.00 0.00 O ATOM 175 CB ASN A 15 -4.319 -17.139 10.758 1.00 0.00 C ATOM 176 CG ASN A 15 -4.023 -17.962 9.502 1.00 0.00 C ATOM 177 OD1 ASN A 15 -4.670 -17.831 8.476 1.00 0.00 O ATOM 178 ND2 ASN A 15 -3.011 -18.814 9.640 1.00 0.00 N ATOM 0 H ASN A 15 -4.879 -15.480 8.956 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.800 -15.236 11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.932 -17.657 11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.397 -17.047 10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.734 -19.408 8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.511 -18.873 10.527 1.00 0.00 H new ATOM 185 N ALA A 16 -1.406 -16.141 11.320 1.00 0.00 N ATOM 186 CA ALA A 16 0.022 -16.323 11.120 1.00 0.00 C ATOM 187 C ALA A 16 0.256 -17.540 10.224 1.00 0.00 C ATOM 188 O ALA A 16 -0.276 -18.618 10.484 1.00 0.00 O ATOM 189 CB ALA A 16 0.715 -16.456 12.477 1.00 0.00 C ATOM 0 H ALA A 16 -1.711 -16.200 12.291 1.00 0.00 H new ATOM 0 HA ALA A 16 0.453 -15.457 10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.786 -16.593 12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.543 -15.553 13.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.311 -17.317 13.009 1.00 0.00 H new ATOM 195 N ALA A 17 1.052 -17.328 9.186 1.00 0.00 N ATOM 196 CA ALA A 17 1.363 -18.395 8.250 1.00 0.00 C ATOM 197 C ALA A 17 2.859 -18.708 8.319 1.00 0.00 C ATOM 198 O ALA A 17 3.646 -17.892 8.796 1.00 0.00 O ATOM 199 CB ALA A 17 0.917 -17.987 6.845 1.00 0.00 C ATOM 0 H ALA A 17 1.491 -16.432 8.973 1.00 0.00 H new ATOM 0 HA ALA A 17 0.823 -19.305 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.150 -18.787 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.158 -17.804 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.440 -17.078 6.547 1.00 0.00 H new ATOM 205 N VAL A 18 3.206 -19.892 7.837 1.00 0.00 N ATOM 206 CA VAL A 18 4.594 -20.323 7.837 1.00 0.00 C ATOM 207 C VAL A 18 5.247 -19.927 6.512 1.00 0.00 C ATOM 208 O VAL A 18 4.822 -20.375 5.448 1.00 0.00 O ATOM 209 CB VAL A 18 4.675 -21.824 8.119 1.00 0.00 C ATOM 210 CG1 VAL A 18 4.122 -22.634 6.945 1.00 0.00 C ATOM 211 CG2 VAL A 18 6.109 -22.244 8.447 1.00 0.00 C ATOM 0 H VAL A 18 2.550 -20.567 7.444 1.00 0.00 H new ATOM 0 HA VAL A 18 5.148 -19.826 8.633 1.00 0.00 H new ATOM 0 HB VAL A 18 4.056 -22.034 8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.192 -23.698 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.079 -22.366 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.701 -22.416 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.138 -23.316 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.758 -22.012 7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.454 -21.704 9.329 1.00 0.00 H new ATOM 221 N LEU A 19 6.270 -19.092 6.619 1.00 0.00 N ATOM 222 CA LEU A 19 6.986 -18.631 5.441 1.00 0.00 C ATOM 223 C LEU A 19 8.479 -18.916 5.614 1.00 0.00 C ATOM 224 O LEU A 19 9.000 -18.866 6.727 1.00 0.00 O ATOM 225 CB LEU A 19 6.669 -17.161 5.163 1.00 0.00 C ATOM 226 CG LEU A 19 7.346 -16.142 6.082 1.00 0.00 C ATOM 227 CD1 LEU A 19 6.988 -16.402 7.547 1.00 0.00 C ATOM 228 CD2 LEU A 19 8.860 -16.122 5.857 1.00 0.00 C ATOM 0 H LEU A 19 6.620 -18.723 7.503 1.00 0.00 H new ATOM 0 HA LEU A 19 6.657 -19.177 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.952 -16.937 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.590 -17.023 5.233 1.00 0.00 H new ATOM 0 HG LEU A 19 6.969 -15.151 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.482 -15.664 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.908 -16.326 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.318 -17.401 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.317 -15.390 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.272 -17.109 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.070 -15.853 4.822 1.00 0.00 H new ATOM 240 N PRO A 20 9.144 -19.217 4.466 1.00 0.00 N ATOM 241 CA PRO A 20 10.567 -19.510 4.480 1.00 0.00 C ATOM 242 C PRO A 20 11.388 -18.231 4.661 1.00 0.00 C ATOM 243 O PRO A 20 11.056 -17.190 4.096 1.00 0.00 O ATOM 244 CB PRO A 20 10.837 -20.207 3.156 1.00 0.00 C ATOM 245 CG PRO A 20 9.661 -19.865 2.257 1.00 0.00 C ATOM 246 CD PRO A 20 8.560 -19.285 3.130 1.00 0.00 C ATOM 0 HA PRO A 20 10.858 -20.145 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.775 -19.865 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.923 -21.285 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.960 -19.147 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.307 -20.755 1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.255 -18.299 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.671 -19.916 3.118 1.00 0.00 H new ATOM 254 N GLN A 21 12.444 -18.352 5.452 1.00 0.00 N ATOM 255 CA GLN A 21 13.315 -17.219 5.715 1.00 0.00 C ATOM 256 C GLN A 21 12.649 -16.255 6.698 1.00 0.00 C ATOM 257 O GLN A 21 11.499 -16.453 7.084 1.00 0.00 O ATOM 258 CB GLN A 21 13.692 -16.504 4.416 1.00 0.00 C ATOM 259 CG GLN A 21 15.207 -16.525 4.198 1.00 0.00 C ATOM 260 CD GLN A 21 15.833 -15.181 4.574 1.00 0.00 C ATOM 261 OE1 GLN A 21 15.178 -14.153 4.622 1.00 0.00 O ATOM 262 NE2 GLN A 21 17.135 -15.245 4.836 1.00 0.00 N ATOM 0 H GLN A 21 12.716 -19.217 5.919 1.00 0.00 H new ATOM 0 HA GLN A 21 14.235 -17.590 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.193 -16.984 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.340 -15.473 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.653 -17.319 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.425 -16.753 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.624 -16.138 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.645 -14.401 5.096 1.00 0.00 H new ATOM 271 N SER A 22 13.402 -15.231 7.075 1.00 0.00 N ATOM 272 CA SER A 22 12.899 -14.235 8.006 1.00 0.00 C ATOM 273 C SER A 22 12.361 -14.920 9.264 1.00 0.00 C ATOM 274 O SER A 22 11.154 -15.114 9.401 1.00 0.00 O ATOM 275 CB SER A 22 11.808 -13.379 7.360 1.00 0.00 C ATOM 276 OG SER A 22 11.607 -12.154 8.059 1.00 0.00 O ATOM 0 H SER A 22 14.356 -15.070 6.752 1.00 0.00 H new ATOM 0 HA SER A 22 13.723 -13.577 8.282 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.079 -13.166 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.874 -13.940 7.336 1.00 0.00 H new ATOM 0 HG SER A 22 11.161 -11.510 7.470 1.00 0.00 H new ATOM 282 N GLN A 23 13.282 -15.266 10.151 1.00 0.00 N ATOM 283 CA GLN A 23 12.915 -15.924 11.393 1.00 0.00 C ATOM 284 C GLN A 23 13.522 -15.183 12.586 1.00 0.00 C ATOM 285 O GLN A 23 12.845 -14.949 13.586 1.00 0.00 O ATOM 286 CB GLN A 23 13.346 -17.392 11.383 1.00 0.00 C ATOM 287 CG GLN A 23 12.134 -18.320 11.496 1.00 0.00 C ATOM 288 CD GLN A 23 11.828 -18.987 10.153 1.00 0.00 C ATOM 289 OE1 GLN A 23 12.546 -18.837 9.178 1.00 0.00 O ATOM 290 NE2 GLN A 23 10.724 -19.729 10.158 1.00 0.00 N ATOM 0 H GLN A 23 14.282 -15.103 10.034 1.00 0.00 H new ATOM 0 HA GLN A 23 11.829 -15.898 11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.890 -17.609 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.031 -17.579 12.210 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.325 -19.083 12.250 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.266 -17.752 11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.169 -19.812 11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.433 -20.215 9.310 1.00 0.00 H new ATOM 299 N GLY A 24 14.792 -14.833 12.441 1.00 0.00 N ATOM 300 CA GLY A 24 15.497 -14.122 13.494 1.00 0.00 C ATOM 301 C GLY A 24 14.852 -12.762 13.765 1.00 0.00 C ATOM 302 O GLY A 24 13.807 -12.683 14.409 1.00 0.00 O ATOM 0 H GLY A 24 15.351 -15.029 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.493 -14.719 14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.540 -13.983 13.209 1.00 0.00 H new ATOM 306 N ARG A 25 15.502 -11.724 13.259 1.00 0.00 N ATOM 307 CA ARG A 25 15.005 -10.370 13.438 1.00 0.00 C ATOM 308 C ARG A 25 13.615 -10.228 12.814 1.00 0.00 C ATOM 309 O ARG A 25 13.235 -11.016 11.950 1.00 0.00 O ATOM 310 CB ARG A 25 15.949 -9.348 12.803 1.00 0.00 C ATOM 311 CG ARG A 25 17.022 -8.900 13.797 1.00 0.00 C ATOM 312 CD ARG A 25 17.491 -7.475 13.493 1.00 0.00 C ATOM 313 NE ARG A 25 18.675 -7.145 14.318 1.00 0.00 N ATOM 314 CZ ARG A 25 19.106 -5.898 14.548 1.00 0.00 C ATOM 315 NH1 ARG A 25 18.453 -4.855 14.017 1.00 0.00 N ATOM 316 NH2 ARG A 25 20.189 -5.693 15.309 1.00 0.00 N ATOM 0 H ARG A 25 16.368 -11.793 12.725 1.00 0.00 H new ATOM 0 HA ARG A 25 14.947 -10.177 14.509 1.00 0.00 H new ATOM 0 HB2 ARG A 25 16.423 -9.783 11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.379 -8.483 12.464 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.626 -8.948 14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.870 -9.583 13.754 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.737 -7.382 12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.687 -6.768 13.696 1.00 0.00 H new ATOM 0 HE ARG A 25 19.195 -7.916 14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.628 -5.011 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.781 -3.905 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.686 -6.487 15.714 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.517 -4.743 15.484 1.00 0.00 H new ATOM 330 N VAL A 26 12.894 -9.217 13.277 1.00 0.00 N ATOM 331 CA VAL A 26 11.555 -8.961 12.774 1.00 0.00 C ATOM 332 C VAL A 26 11.622 -8.690 11.270 1.00 0.00 C ATOM 333 O VAL A 26 12.658 -8.270 10.757 1.00 0.00 O ATOM 334 CB VAL A 26 10.911 -7.817 13.560 1.00 0.00 C ATOM 335 CG1 VAL A 26 11.892 -6.656 13.741 1.00 0.00 C ATOM 336 CG2 VAL A 26 9.622 -7.346 12.885 1.00 0.00 C ATOM 0 H VAL A 26 13.212 -8.566 13.995 1.00 0.00 H new ATOM 0 HA VAL A 26 10.920 -9.835 12.918 1.00 0.00 H new ATOM 0 HB VAL A 26 10.652 -8.194 14.549 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.409 -5.856 14.303 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.770 -7.003 14.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.196 -6.281 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.184 -6.533 13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.846 -6.995 11.878 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.915 -8.174 12.832 1.00 0.00 H new ATOM 346 N ALA A 27 10.504 -8.941 10.606 1.00 0.00 N ATOM 347 CA ALA A 27 10.423 -8.730 9.170 1.00 0.00 C ATOM 348 C ALA A 27 10.145 -7.251 8.892 1.00 0.00 C ATOM 349 O ALA A 27 10.979 -6.558 8.312 1.00 0.00 O ATOM 350 CB ALA A 27 9.349 -9.646 8.579 1.00 0.00 C ATOM 0 H ALA A 27 9.646 -9.289 11.035 1.00 0.00 H new ATOM 0 HA ALA A 27 11.368 -8.984 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.288 -9.488 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.607 -10.686 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.385 -9.418 9.034 1.00 0.00 H new ATOM 356 N ALA A 28 8.970 -6.812 9.319 1.00 0.00 N ATOM 357 CA ALA A 28 8.572 -5.428 9.123 1.00 0.00 C ATOM 358 C ALA A 28 9.778 -4.517 9.358 1.00 0.00 C ATOM 359 O ALA A 28 10.400 -4.565 10.418 1.00 0.00 O ATOM 360 CB ALA A 28 7.402 -5.097 10.051 1.00 0.00 C ATOM 0 H ALA A 28 8.281 -7.390 9.800 1.00 0.00 H new ATOM 0 HA ALA A 28 8.232 -5.268 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.103 -4.059 9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.561 -5.752 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.707 -5.244 11.087 1.00 0.00 H new ATOM 366 N SER A 29 10.073 -3.707 8.352 1.00 0.00 N ATOM 367 CA SER A 29 11.194 -2.786 8.436 1.00 0.00 C ATOM 368 C SER A 29 10.685 -1.344 8.461 1.00 0.00 C ATOM 369 O SER A 29 9.906 -0.941 7.599 1.00 0.00 O ATOM 370 CB SER A 29 12.161 -2.987 7.267 1.00 0.00 C ATOM 371 OG SER A 29 12.544 -4.352 7.120 1.00 0.00 O ATOM 0 H SER A 29 9.555 -3.669 7.474 1.00 0.00 H new ATOM 0 HA SER A 29 11.736 -2.990 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.693 -2.640 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.050 -2.376 7.422 1.00 0.00 H new ATOM 0 HG SER A 29 11.988 -4.912 7.701 1.00 0.00 H new ATOM 377 N GLU A 30 11.146 -0.605 9.460 1.00 0.00 N ATOM 378 CA GLU A 30 10.747 0.784 9.609 1.00 0.00 C ATOM 379 C GLU A 30 10.656 1.461 8.240 1.00 0.00 C ATOM 380 O GLU A 30 9.640 2.070 7.911 1.00 0.00 O ATOM 381 CB GLU A 30 11.712 1.536 10.529 1.00 0.00 C ATOM 382 CG GLU A 30 11.048 2.781 11.120 1.00 0.00 C ATOM 383 CD GLU A 30 11.935 4.014 10.938 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.819 4.209 11.799 1.00 0.00 O ATOM 385 OE2 GLU A 30 11.708 4.734 9.942 1.00 0.00 O ATOM 0 H GLU A 30 11.792 -0.942 10.174 1.00 0.00 H new ATOM 0 HA GLU A 30 9.760 0.810 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.040 0.878 11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.602 1.825 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.085 2.947 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.851 2.624 12.180 1.00 0.00 H new ATOM 392 N GLU A 31 11.733 1.330 7.479 1.00 0.00 N ATOM 393 CA GLU A 31 11.788 1.921 6.152 1.00 0.00 C ATOM 394 C GLU A 31 10.449 1.739 5.435 1.00 0.00 C ATOM 395 O GLU A 31 9.968 2.655 4.769 1.00 0.00 O ATOM 396 CB GLU A 31 12.934 1.325 5.333 1.00 0.00 C ATOM 397 CG GLU A 31 13.592 2.391 4.454 1.00 0.00 C ATOM 398 CD GLU A 31 12.788 2.615 3.171 1.00 0.00 C ATOM 399 OE1 GLU A 31 12.583 1.616 2.448 1.00 0.00 O ATOM 400 OE2 GLU A 31 12.397 3.780 2.942 1.00 0.00 O ATOM 0 H GLU A 31 12.574 0.824 7.756 1.00 0.00 H new ATOM 0 HA GLU A 31 11.979 2.989 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.677 0.891 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.557 0.516 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.669 3.327 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.607 2.084 4.203 1.00 0.00 H new ATOM 407 N GLN A 32 9.885 0.551 5.594 1.00 0.00 N ATOM 408 CA GLN A 32 8.611 0.237 4.970 1.00 0.00 C ATOM 409 C GLN A 32 7.469 0.927 5.719 1.00 0.00 C ATOM 410 O GLN A 32 6.710 1.695 5.129 1.00 0.00 O ATOM 411 CB GLN A 32 8.390 -1.275 4.905 1.00 0.00 C ATOM 412 CG GLN A 32 9.630 -1.988 4.361 1.00 0.00 C ATOM 413 CD GLN A 32 9.613 -3.473 4.727 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.712 -3.855 5.882 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.484 -4.286 3.683 1.00 0.00 N ATOM 0 H GLN A 32 10.287 -0.206 6.146 1.00 0.00 H new ATOM 0 HA GLN A 32 8.627 0.612 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.155 -1.655 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.532 -1.494 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.671 -1.877 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.529 -1.521 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.406 -3.900 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.463 -5.296 3.823 1.00 0.00 H new ATOM 424 N ILE A 33 7.382 0.628 7.007 1.00 0.00 N ATOM 425 CA ILE A 33 6.345 1.209 7.842 1.00 0.00 C ATOM 426 C ILE A 33 6.167 2.684 7.474 1.00 0.00 C ATOM 427 O ILE A 33 5.043 3.182 7.421 1.00 0.00 O ATOM 428 CB ILE A 33 6.658 0.979 9.322 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.531 -0.502 9.685 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.782 1.864 10.211 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.808 -1.014 10.353 1.00 0.00 C ATOM 0 H ILE A 33 8.013 -0.009 7.493 1.00 0.00 H new ATOM 0 HA ILE A 33 5.390 0.717 7.661 1.00 0.00 H new ATOM 0 HB ILE A 33 7.694 1.267 9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.683 -0.644 10.355 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.328 -1.084 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.024 1.681 11.258 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.965 2.912 9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.732 1.630 10.035 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.691 -2.069 10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.649 -0.893 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.995 -0.446 11.264 1.00 0.00 H new ATOM 443 N GLN A 34 7.291 3.340 7.228 1.00 0.00 N ATOM 444 CA GLN A 34 7.273 4.747 6.866 1.00 0.00 C ATOM 445 C GLN A 34 6.803 4.917 5.420 1.00 0.00 C ATOM 446 O GLN A 34 5.928 5.735 5.140 1.00 0.00 O ATOM 447 CB GLN A 34 8.648 5.384 7.074 1.00 0.00 C ATOM 448 CG GLN A 34 9.108 5.233 8.525 1.00 0.00 C ATOM 449 CD GLN A 34 8.164 5.967 9.479 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.421 6.856 9.096 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.235 5.548 10.739 1.00 0.00 N ATOM 0 H GLN A 34 8.221 2.923 7.272 1.00 0.00 H new ATOM 0 HA GLN A 34 6.568 5.261 7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.374 4.917 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.607 6.441 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.148 4.176 8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.118 5.627 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.879 4.799 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.645 5.976 11.453 1.00 0.00 H new ATOM 460 N LYS A 35 7.405 4.130 4.539 1.00 0.00 N ATOM 461 CA LYS A 35 7.059 4.184 3.129 1.00 0.00 C ATOM 462 C LYS A 35 5.553 3.966 2.969 1.00 0.00 C ATOM 463 O LYS A 35 4.959 4.404 1.985 1.00 0.00 O ATOM 464 CB LYS A 35 7.911 3.196 2.330 1.00 0.00 C ATOM 465 CG LYS A 35 8.896 3.932 1.419 1.00 0.00 C ATOM 466 CD LYS A 35 9.525 2.975 0.405 1.00 0.00 C ATOM 467 CE LYS A 35 8.539 2.634 -0.713 1.00 0.00 C ATOM 468 NZ LYS A 35 9.029 1.483 -1.504 1.00 0.00 N ATOM 0 H LYS A 35 8.130 3.452 4.775 1.00 0.00 H new ATOM 0 HA LYS A 35 7.285 5.168 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.458 2.547 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.265 2.555 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.380 4.736 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.678 4.395 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.420 3.428 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.839 2.061 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.563 2.401 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.404 3.498 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.347 1.265 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.950 1.719 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.135 0.655 -0.883 1.00 0.00 H new ATOM 482 N LEU A 36 4.978 3.289 3.952 1.00 0.00 N ATOM 483 CA LEU A 36 3.552 3.007 3.933 1.00 0.00 C ATOM 484 C LEU A 36 2.818 4.059 4.768 1.00 0.00 C ATOM 485 O LEU A 36 1.863 4.674 4.296 1.00 0.00 O ATOM 486 CB LEU A 36 3.284 1.569 4.381 1.00 0.00 C ATOM 487 CG LEU A 36 3.837 0.470 3.473 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.452 -0.917 3.993 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.395 0.681 2.023 1.00 0.00 C ATOM 0 H LEU A 36 5.473 2.927 4.767 1.00 0.00 H new ATOM 0 HA LEU A 36 3.163 3.077 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.705 1.436 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.206 1.432 4.469 1.00 0.00 H new ATOM 0 HG LEU A 36 4.925 0.530 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.858 -1.680 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.858 -1.055 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.366 -1.005 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.802 -0.115 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.307 0.664 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.761 1.644 1.668 1.00 0.00 H new ATOM 501 N VAL A 37 3.291 4.232 5.993 1.00 0.00 N ATOM 502 CA VAL A 37 2.692 5.198 6.898 1.00 0.00 C ATOM 503 C VAL A 37 2.629 6.563 6.210 1.00 0.00 C ATOM 504 O VAL A 37 1.649 7.292 6.358 1.00 0.00 O ATOM 505 CB VAL A 37 3.465 5.228 8.218 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.142 6.495 9.013 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.184 3.974 9.047 1.00 0.00 C ATOM 0 H VAL A 37 4.083 3.719 6.380 1.00 0.00 H new ATOM 0 HA VAL A 37 1.670 4.910 7.143 1.00 0.00 H new ATOM 0 HB VAL A 37 4.529 5.242 7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.704 6.492 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.417 7.372 8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.075 6.525 9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.746 4.021 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.118 3.915 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.487 3.091 8.485 1.00 0.00 H new ATOM 517 N ALA A 38 3.686 6.868 5.472 1.00 0.00 N ATOM 518 CA ALA A 38 3.763 8.133 4.761 1.00 0.00 C ATOM 519 C ALA A 38 2.590 8.236 3.785 1.00 0.00 C ATOM 520 O ALA A 38 2.032 9.315 3.591 1.00 0.00 O ATOM 521 CB ALA A 38 5.118 8.242 4.059 1.00 0.00 C ATOM 0 H ALA A 38 4.497 6.261 5.351 1.00 0.00 H new ATOM 0 HA ALA A 38 3.688 8.970 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.176 9.191 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.916 8.193 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.228 7.420 3.351 1.00 0.00 H new ATOM 527 N MET A 39 2.251 7.099 3.195 1.00 0.00 N ATOM 528 CA MET A 39 1.155 7.048 2.243 1.00 0.00 C ATOM 529 C MET A 39 -0.188 7.276 2.940 1.00 0.00 C ATOM 530 O MET A 39 -1.147 7.727 2.316 1.00 0.00 O ATOM 531 CB MET A 39 1.144 5.685 1.548 1.00 0.00 C ATOM 532 CG MET A 39 2.451 5.448 0.788 1.00 0.00 C ATOM 533 SD MET A 39 2.127 5.346 -0.965 1.00 0.00 S ATOM 534 CE MET A 39 3.205 3.992 -1.401 1.00 0.00 C ATOM 0 H MET A 39 2.716 6.206 3.358 1.00 0.00 H new ATOM 0 HA MET A 39 1.301 7.839 1.508 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.001 4.897 2.287 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.302 5.631 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.151 6.258 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.921 4.527 1.134 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.126 3.794 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.234 4.253 -1.155 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.914 3.101 -0.844 1.00 0.00 H new ATOM 544 N GLY A 40 -0.213 6.954 4.225 1.00 0.00 N ATOM 545 CA GLY A 40 -1.422 7.118 5.014 1.00 0.00 C ATOM 546 C GLY A 40 -1.904 5.774 5.565 1.00 0.00 C ATOM 547 O GLY A 40 -3.076 5.428 5.430 1.00 0.00 O ATOM 0 H GLY A 40 0.585 6.580 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.232 7.806 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.204 7.565 4.400 1.00 0.00 H new ATOM 551 N PHE A 41 -0.974 5.054 6.175 1.00 0.00 N ATOM 552 CA PHE A 41 -1.289 3.756 6.747 1.00 0.00 C ATOM 553 C PHE A 41 -0.813 3.666 8.198 1.00 0.00 C ATOM 554 O PHE A 41 0.138 4.343 8.586 1.00 0.00 O ATOM 555 CB PHE A 41 -0.547 2.708 5.914 1.00 0.00 C ATOM 556 CG PHE A 41 -1.134 2.494 4.517 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.478 2.356 4.358 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.313 2.442 3.435 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.023 2.158 3.062 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.858 2.243 2.139 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.201 2.105 1.980 1.00 0.00 C ATOM 0 H PHE A 41 -0.003 5.345 6.286 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.367 3.597 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.496 3.008 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.557 1.759 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.130 2.397 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.754 2.552 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.090 2.050 2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.205 2.201 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.615 1.953 0.994 1.00 0.00 H new ATOM 571 N ASP A 42 -1.496 2.825 8.961 1.00 0.00 N ATOM 572 CA ASP A 42 -1.155 2.638 10.361 1.00 0.00 C ATOM 573 C ASP A 42 0.024 1.669 10.469 1.00 0.00 C ATOM 574 O ASP A 42 0.016 0.604 9.853 1.00 0.00 O ATOM 575 CB ASP A 42 -2.329 2.042 11.139 1.00 0.00 C ATOM 576 CG ASP A 42 -2.418 2.471 12.605 1.00 0.00 C ATOM 577 OD1 ASP A 42 -2.761 3.651 12.832 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.139 1.608 13.466 1.00 0.00 O ATOM 0 H ASP A 42 -2.284 2.265 8.636 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.903 3.612 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.256 2.320 10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.258 0.955 11.098 1.00 0.00 H new ATOM 583 N ARG A 43 1.010 2.073 11.256 1.00 0.00 N ATOM 584 CA ARG A 43 2.194 1.254 11.453 1.00 0.00 C ATOM 585 C ARG A 43 1.808 -0.225 11.540 1.00 0.00 C ATOM 586 O ARG A 43 2.392 -1.063 10.855 1.00 0.00 O ATOM 587 CB ARG A 43 2.936 1.655 12.729 1.00 0.00 C ATOM 588 CG ARG A 43 4.136 0.739 12.978 1.00 0.00 C ATOM 589 CD ARG A 43 5.252 1.484 13.712 1.00 0.00 C ATOM 590 NE ARG A 43 6.498 0.687 13.682 1.00 0.00 N ATOM 591 CZ ARG A 43 7.582 0.958 14.422 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.579 2.009 15.254 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.669 0.180 14.330 1.00 0.00 N ATOM 0 H ARG A 43 1.013 2.957 11.765 1.00 0.00 H new ATOM 0 HA ARG A 43 2.852 1.413 10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.274 2.688 12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.256 1.608 13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.823 -0.124 13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.511 0.359 12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.420 2.455 13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.956 1.673 14.744 1.00 0.00 H new ATOM 0 HE ARG A 43 6.534 -0.120 13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.752 2.602 15.324 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.404 2.216 15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.672 -0.619 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.494 0.387 14.894 1.00 0.00 H new ATOM 607 N THR A 44 0.827 -0.498 12.387 1.00 0.00 N ATOM 608 CA THR A 44 0.356 -1.861 12.572 1.00 0.00 C ATOM 609 C THR A 44 -0.064 -2.466 11.231 1.00 0.00 C ATOM 610 O THR A 44 0.486 -3.481 10.805 1.00 0.00 O ATOM 611 CB THR A 44 -0.770 -1.835 13.607 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.107 -1.546 14.835 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.389 -3.216 13.833 1.00 0.00 C ATOM 0 H THR A 44 0.345 0.201 12.953 1.00 0.00 H new ATOM 0 HA THR A 44 1.149 -2.507 12.950 1.00 0.00 H new ATOM 0 HB THR A 44 -1.544 -1.139 13.284 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.764 -1.509 15.561 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.183 -3.142 14.576 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.803 -3.587 12.896 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.622 -3.905 14.188 1.00 0.00 H new ATOM 621 N GLN A 45 -1.034 -1.818 10.604 1.00 0.00 N ATOM 622 CA GLN A 45 -1.534 -2.280 9.320 1.00 0.00 C ATOM 623 C GLN A 45 -0.372 -2.693 8.415 1.00 0.00 C ATOM 624 O GLN A 45 -0.440 -3.719 7.740 1.00 0.00 O ATOM 625 CB GLN A 45 -2.397 -1.209 8.650 1.00 0.00 C ATOM 626 CG GLN A 45 -3.648 -0.914 9.481 1.00 0.00 C ATOM 627 CD GLN A 45 -4.915 -1.070 8.639 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.711 -1.975 8.830 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.058 -0.141 7.698 1.00 0.00 N ATOM 0 H GLN A 45 -1.487 -0.977 10.961 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.164 -3.153 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.816 -0.295 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.688 -1.542 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.689 -1.590 10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.594 0.099 9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.354 0.590 7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.872 -0.159 7.083 1.00 0.00 H new ATOM 638 N VAL A 46 0.668 -1.872 8.430 1.00 0.00 N ATOM 639 CA VAL A 46 1.844 -2.139 7.618 1.00 0.00 C ATOM 640 C VAL A 46 2.481 -3.455 8.069 1.00 0.00 C ATOM 641 O VAL A 46 2.642 -4.376 7.269 1.00 0.00 O ATOM 642 CB VAL A 46 2.808 -0.953 7.689 1.00 0.00 C ATOM 643 CG1 VAL A 46 4.038 -1.194 6.810 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.105 0.349 7.302 1.00 0.00 C ATOM 0 H VAL A 46 0.721 -1.022 8.991 1.00 0.00 H new ATOM 0 HA VAL A 46 1.567 -2.254 6.570 1.00 0.00 H new ATOM 0 HB VAL A 46 3.146 -0.857 8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.707 -0.336 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.559 -2.089 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.725 -1.328 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.813 1.176 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.725 0.268 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.276 0.532 7.985 1.00 0.00 H new ATOM 654 N GLU A 47 2.825 -3.502 9.347 1.00 0.00 N ATOM 655 CA GLU A 47 3.441 -4.690 9.913 1.00 0.00 C ATOM 656 C GLU A 47 2.555 -5.914 9.671 1.00 0.00 C ATOM 657 O GLU A 47 3.005 -6.908 9.105 1.00 0.00 O ATOM 658 CB GLU A 47 3.723 -4.503 11.405 1.00 0.00 C ATOM 659 CG GLU A 47 4.773 -3.414 11.633 1.00 0.00 C ATOM 660 CD GLU A 47 5.566 -3.676 12.915 1.00 0.00 C ATOM 661 OE1 GLU A 47 6.488 -4.518 12.850 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.232 -3.030 13.932 1.00 0.00 O ATOM 0 H GLU A 47 2.689 -2.736 10.007 1.00 0.00 H new ATOM 0 HA GLU A 47 4.396 -4.853 9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.801 -4.238 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.070 -5.443 11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.453 -3.376 10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.285 -2.441 11.695 1.00 0.00 H new ATOM 669 N VAL A 48 1.311 -5.800 10.114 1.00 0.00 N ATOM 670 CA VAL A 48 0.358 -6.885 9.952 1.00 0.00 C ATOM 671 C VAL A 48 0.403 -7.388 8.508 1.00 0.00 C ATOM 672 O VAL A 48 0.637 -8.571 8.265 1.00 0.00 O ATOM 673 CB VAL A 48 -1.037 -6.424 10.381 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.109 -7.407 9.905 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.107 -6.228 11.897 1.00 0.00 C ATOM 0 H VAL A 48 0.942 -4.974 10.584 1.00 0.00 H new ATOM 0 HA VAL A 48 0.622 -7.724 10.596 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.232 -5.461 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.091 -7.056 10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.083 -7.476 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.918 -8.390 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.109 -5.900 12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.881 -7.170 12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.381 -5.474 12.200 1.00 0.00 H new ATOM 685 N ALA A 49 0.176 -6.463 7.586 1.00 0.00 N ATOM 686 CA ALA A 49 0.189 -6.798 6.172 1.00 0.00 C ATOM 687 C ALA A 49 1.557 -7.372 5.800 1.00 0.00 C ATOM 688 O ALA A 49 1.660 -8.531 5.401 1.00 0.00 O ATOM 689 CB ALA A 49 -0.165 -5.557 5.351 1.00 0.00 C ATOM 0 H ALA A 49 -0.018 -5.483 7.791 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.559 -7.560 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.155 -5.808 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.158 -5.206 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.566 -4.772 5.545 1.00 0.00 H new ATOM 695 N LEU A 50 2.574 -6.535 5.944 1.00 0.00 N ATOM 696 CA LEU A 50 3.931 -6.945 5.628 1.00 0.00 C ATOM 697 C LEU A 50 4.139 -8.394 6.074 1.00 0.00 C ATOM 698 O LEU A 50 4.905 -9.133 5.459 1.00 0.00 O ATOM 699 CB LEU A 50 4.941 -5.966 6.229 1.00 0.00 C ATOM 700 CG LEU A 50 5.393 -4.824 5.317 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.160 -3.762 6.107 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.205 -5.356 4.134 1.00 0.00 C ATOM 0 H LEU A 50 2.485 -5.574 6.275 1.00 0.00 H new ATOM 0 HA LEU A 50 4.096 -6.916 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.506 -5.534 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.822 -6.528 6.538 1.00 0.00 H new ATOM 0 HG LEU A 50 4.505 -4.342 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.470 -2.962 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.517 -3.353 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.041 -4.214 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.514 -4.524 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.088 -5.878 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.593 -6.046 3.553 1.00 0.00 H new ATOM 714 N ALA A 51 3.442 -8.756 7.141 1.00 0.00 N ATOM 715 CA ALA A 51 3.541 -10.103 7.678 1.00 0.00 C ATOM 716 C ALA A 51 2.913 -11.088 6.689 1.00 0.00 C ATOM 717 O ALA A 51 3.574 -12.017 6.229 1.00 0.00 O ATOM 718 CB ALA A 51 2.875 -10.154 9.054 1.00 0.00 C ATOM 0 H ALA A 51 2.806 -8.140 7.648 1.00 0.00 H new ATOM 0 HA ALA A 51 4.585 -10.388 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.949 -11.164 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.376 -9.457 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.825 -9.877 8.960 1.00 0.00 H new ATOM 724 N ALA A 52 1.643 -10.850 6.392 1.00 0.00 N ATOM 725 CA ALA A 52 0.919 -11.705 5.467 1.00 0.00 C ATOM 726 C ALA A 52 1.527 -11.568 4.070 1.00 0.00 C ATOM 727 O ALA A 52 1.435 -12.486 3.256 1.00 0.00 O ATOM 728 CB ALA A 52 -0.567 -11.342 5.494 1.00 0.00 C ATOM 0 H ALA A 52 1.098 -10.078 6.776 1.00 0.00 H new ATOM 0 HA ALA A 52 1.005 -12.751 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.111 -11.983 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.958 -11.484 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.692 -10.300 5.200 1.00 0.00 H new ATOM 734 N ALA A 53 2.137 -10.415 3.835 1.00 0.00 N ATOM 735 CA ALA A 53 2.760 -10.146 2.550 1.00 0.00 C ATOM 736 C ALA A 53 4.050 -10.961 2.434 1.00 0.00 C ATOM 737 O ALA A 53 4.548 -11.188 1.333 1.00 0.00 O ATOM 738 CB ALA A 53 3.006 -8.643 2.406 1.00 0.00 C ATOM 0 H ALA A 53 2.213 -9.657 4.513 1.00 0.00 H new ATOM 0 HA ALA A 53 2.103 -10.448 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.473 -8.442 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.056 -8.111 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.664 -8.304 3.206 1.00 0.00 H new ATOM 744 N ASP A 54 4.554 -11.380 3.586 1.00 0.00 N ATOM 745 CA ASP A 54 5.776 -12.165 3.627 1.00 0.00 C ATOM 746 C ASP A 54 6.977 -11.241 3.417 1.00 0.00 C ATOM 747 O ASP A 54 7.991 -11.654 2.856 1.00 0.00 O ATOM 748 CB ASP A 54 5.791 -13.219 2.519 1.00 0.00 C ATOM 749 CG ASP A 54 6.197 -14.624 2.968 1.00 0.00 C ATOM 750 OD1 ASP A 54 5.619 -15.088 3.974 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.078 -15.202 2.295 1.00 0.00 O ATOM 0 H ASP A 54 4.138 -11.190 4.498 1.00 0.00 H new ATOM 0 HA ASP A 54 5.826 -12.661 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.798 -13.269 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.476 -12.892 1.736 1.00 0.00 H new ATOM 756 N ASP A 55 6.824 -10.009 3.880 1.00 0.00 N ATOM 757 CA ASP A 55 7.884 -9.024 3.750 1.00 0.00 C ATOM 758 C ASP A 55 7.841 -8.418 2.346 1.00 0.00 C ATOM 759 O ASP A 55 8.844 -7.896 1.861 1.00 0.00 O ATOM 760 CB ASP A 55 9.259 -9.665 3.947 1.00 0.00 C ATOM 761 CG ASP A 55 10.359 -8.708 4.410 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.018 -7.531 4.661 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.515 -9.173 4.503 1.00 0.00 O ATOM 0 H ASP A 55 5.982 -9.671 4.346 1.00 0.00 H new ATOM 0 HA ASP A 55 7.730 -8.260 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.167 -10.469 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.568 -10.122 3.007 1.00 0.00 H new ATOM 768 N ASP A 56 6.670 -8.507 1.732 1.00 0.00 N ATOM 769 CA ASP A 56 6.484 -7.974 0.394 1.00 0.00 C ATOM 770 C ASP A 56 5.637 -6.702 0.469 1.00 0.00 C ATOM 771 O ASP A 56 4.451 -6.760 0.793 1.00 0.00 O ATOM 772 CB ASP A 56 5.753 -8.976 -0.502 1.00 0.00 C ATOM 773 CG ASP A 56 6.296 -9.084 -1.928 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.140 -8.091 -2.671 1.00 0.00 O ATOM 775 OD2 ASP A 56 6.854 -10.157 -2.244 1.00 0.00 O ATOM 0 H ASP A 56 5.840 -8.941 2.137 1.00 0.00 H new ATOM 0 HA ASP A 56 7.468 -7.766 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.801 -9.960 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.700 -8.697 -0.550 1.00 0.00 H new ATOM 780 N LEU A 57 6.278 -5.583 0.165 1.00 0.00 N ATOM 781 CA LEU A 57 5.598 -4.299 0.195 1.00 0.00 C ATOM 782 C LEU A 57 4.517 -4.275 -0.888 1.00 0.00 C ATOM 783 O LEU A 57 3.351 -4.010 -0.600 1.00 0.00 O ATOM 784 CB LEU A 57 6.608 -3.155 0.082 1.00 0.00 C ATOM 785 CG LEU A 57 6.774 -2.282 1.327 1.00 0.00 C ATOM 786 CD1 LEU A 57 8.180 -1.681 1.391 1.00 0.00 C ATOM 787 CD2 LEU A 57 5.687 -1.208 1.393 1.00 0.00 C ATOM 0 H LEU A 57 7.261 -5.539 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 57 5.095 -4.156 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.580 -3.578 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.311 -2.515 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 57 6.654 -2.914 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.272 -1.065 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.917 -2.483 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.354 -1.067 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.829 -0.602 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.750 -0.572 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.707 -1.684 1.429 1.00 0.00 H new ATOM 799 N THR A 58 4.943 -4.554 -2.111 1.00 0.00 N ATOM 800 CA THR A 58 4.026 -4.567 -3.238 1.00 0.00 C ATOM 801 C THR A 58 2.679 -5.162 -2.823 1.00 0.00 C ATOM 802 O THR A 58 1.636 -4.537 -3.008 1.00 0.00 O ATOM 803 CB THR A 58 4.697 -5.325 -4.385 1.00 0.00 C ATOM 804 OG1 THR A 58 5.631 -4.391 -4.919 1.00 0.00 O ATOM 805 CG2 THR A 58 3.739 -5.600 -5.546 1.00 0.00 C ATOM 0 H THR A 58 5.911 -4.773 -2.346 1.00 0.00 H new ATOM 0 HA THR A 58 3.807 -3.556 -3.581 1.00 0.00 H new ATOM 0 HB THR A 58 5.095 -6.269 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.112 -4.801 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.266 -6.140 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.901 -6.201 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.366 -4.655 -5.942 1.00 0.00 H new ATOM 813 N VAL A 59 2.745 -6.364 -2.269 1.00 0.00 N ATOM 814 CA VAL A 59 1.543 -7.051 -1.826 1.00 0.00 C ATOM 815 C VAL A 59 0.961 -6.320 -0.614 1.00 0.00 C ATOM 816 O VAL A 59 -0.230 -6.015 -0.581 1.00 0.00 O ATOM 817 CB VAL A 59 1.855 -8.522 -1.544 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.589 -9.284 -1.148 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.537 -9.178 -2.746 1.00 0.00 C ATOM 0 H VAL A 59 3.612 -6.880 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 59 0.785 -7.038 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 59 2.547 -8.563 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.838 -10.327 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.162 -8.839 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.137 -9.230 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.748 -10.223 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.880 -9.121 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.470 -8.658 -2.963 1.00 0.00 H new ATOM 829 N ALA A 60 1.829 -6.060 0.353 1.00 0.00 N ATOM 830 CA ALA A 60 1.416 -5.371 1.564 1.00 0.00 C ATOM 831 C ALA A 60 0.578 -4.148 1.189 1.00 0.00 C ATOM 832 O ALA A 60 -0.562 -4.013 1.632 1.00 0.00 O ATOM 833 CB ALA A 60 2.651 -5.001 2.388 1.00 0.00 C ATOM 0 H ALA A 60 2.816 -6.314 0.322 1.00 0.00 H new ATOM 0 HA ALA A 60 0.795 -6.020 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.341 -4.484 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.196 -5.907 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.297 -4.348 1.802 1.00 0.00 H new ATOM 839 N VAL A 61 1.174 -3.288 0.376 1.00 0.00 N ATOM 840 CA VAL A 61 0.496 -2.080 -0.063 1.00 0.00 C ATOM 841 C VAL A 61 -0.960 -2.411 -0.397 1.00 0.00 C ATOM 842 O VAL A 61 -1.878 -1.761 0.102 1.00 0.00 O ATOM 843 CB VAL A 61 1.251 -1.455 -1.238 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.503 -0.238 -1.785 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.680 -1.085 -0.836 1.00 0.00 C ATOM 0 H VAL A 61 2.119 -3.404 0.010 1.00 0.00 H new ATOM 0 HA VAL A 61 0.486 -1.336 0.733 1.00 0.00 H new ATOM 0 HB VAL A 61 1.308 -2.198 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.061 0.187 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.486 -0.542 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.400 0.510 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.195 -0.643 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.653 -0.367 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.212 -1.981 -0.516 1.00 0.00 H new ATOM 855 N GLU A 62 -1.127 -3.421 -1.238 1.00 0.00 N ATOM 856 CA GLU A 62 -2.456 -3.845 -1.644 1.00 0.00 C ATOM 857 C GLU A 62 -3.320 -4.132 -0.414 1.00 0.00 C ATOM 858 O GLU A 62 -4.502 -3.791 -0.388 1.00 0.00 O ATOM 859 CB GLU A 62 -2.385 -5.067 -2.561 1.00 0.00 C ATOM 860 CG GLU A 62 -1.657 -4.733 -3.865 1.00 0.00 C ATOM 861 CD GLU A 62 -2.536 -3.880 -4.781 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.355 -4.486 -5.506 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.371 -2.642 -4.735 1.00 0.00 O ATOM 0 H GLU A 62 -0.364 -3.958 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.918 -3.035 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.869 -5.880 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.393 -5.419 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.732 -4.200 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.379 -5.654 -4.377 1.00 0.00 H new ATOM 870 N ILE A 63 -2.697 -4.755 0.575 1.00 0.00 N ATOM 871 CA ILE A 63 -3.395 -5.091 1.805 1.00 0.00 C ATOM 872 C ILE A 63 -3.754 -3.805 2.550 1.00 0.00 C ATOM 873 O ILE A 63 -4.892 -3.631 2.984 1.00 0.00 O ATOM 874 CB ILE A 63 -2.569 -6.075 2.637 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.575 -7.468 2.005 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.050 -6.102 4.089 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.413 -8.314 2.530 1.00 0.00 C ATOM 0 H ILE A 63 -1.717 -5.036 0.550 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.332 -5.603 1.585 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.535 -5.731 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.520 -7.966 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.504 -7.380 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.447 -6.809 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.951 -5.107 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.095 -6.409 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.441 -9.299 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.469 -7.825 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.500 -8.421 3.611 1.00 0.00 H new ATOM 889 N LEU A 64 -2.762 -2.935 2.677 1.00 0.00 N ATOM 890 CA LEU A 64 -2.959 -1.670 3.363 1.00 0.00 C ATOM 891 C LEU A 64 -4.115 -0.913 2.705 1.00 0.00 C ATOM 892 O LEU A 64 -4.992 -0.393 3.393 1.00 0.00 O ATOM 893 CB LEU A 64 -1.652 -0.876 3.409 1.00 0.00 C ATOM 894 CG LEU A 64 -0.609 -1.360 4.419 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.688 -0.556 5.718 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.742 -2.864 4.667 1.00 0.00 C ATOM 0 H LEU A 64 -1.819 -3.082 2.316 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.239 -1.840 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.203 -0.895 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.889 0.164 3.632 1.00 0.00 H new ATOM 0 HG LEU A 64 0.381 -1.190 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.064 -0.921 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.505 0.497 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.679 -0.671 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.011 -3.182 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.735 -3.082 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.596 -3.402 3.730 1.00 0.00 H new ATOM 908 N MET A 65 -4.078 -0.875 1.381 1.00 0.00 N ATOM 909 CA MET A 65 -5.112 -0.191 0.623 1.00 0.00 C ATOM 910 C MET A 65 -6.503 -0.694 1.014 1.00 0.00 C ATOM 911 O MET A 65 -7.359 0.089 1.421 1.00 0.00 O ATOM 912 CB MET A 65 -4.886 -0.422 -0.872 1.00 0.00 C ATOM 913 CG MET A 65 -3.652 0.337 -1.364 1.00 0.00 C ATOM 914 SD MET A 65 -4.149 1.693 -2.414 1.00 0.00 S ATOM 915 CE MET A 65 -2.643 2.653 -2.413 1.00 0.00 C ATOM 0 H MET A 65 -3.348 -1.307 0.814 1.00 0.00 H new ATOM 0 HA MET A 65 -5.056 0.874 0.847 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.762 -1.488 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.764 -0.097 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.084 0.714 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.995 -0.337 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.779 3.544 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.401 2.949 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.829 2.053 -2.820 1.00 0.00 H new ATOM 925 N SER A 66 -6.684 -2.000 0.877 1.00 0.00 N ATOM 926 CA SER A 66 -7.957 -2.617 1.210 1.00 0.00 C ATOM 927 C SER A 66 -8.345 -2.271 2.649 1.00 0.00 C ATOM 928 O SER A 66 -9.430 -1.745 2.893 1.00 0.00 O ATOM 929 CB SER A 66 -7.897 -4.135 1.027 1.00 0.00 C ATOM 930 OG SER A 66 -7.017 -4.751 1.963 1.00 0.00 O ATOM 0 H SER A 66 -5.971 -2.647 0.540 1.00 0.00 H new ATOM 0 HA SER A 66 -8.715 -2.226 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.897 -4.554 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.568 -4.365 0.014 1.00 0.00 H new ATOM 0 HG SER A 66 -6.134 -4.329 1.908 1.00 0.00 H new ATOM 936 N GLN A 67 -7.438 -2.580 3.564 1.00 0.00 N ATOM 937 CA GLN A 67 -7.672 -2.308 4.972 1.00 0.00 C ATOM 938 C GLN A 67 -8.380 -0.962 5.142 1.00 0.00 C ATOM 939 O GLN A 67 -9.380 -0.868 5.852 1.00 0.00 O ATOM 940 CB GLN A 67 -6.363 -2.342 5.762 1.00 0.00 C ATOM 941 CG GLN A 67 -5.808 -3.766 5.843 1.00 0.00 C ATOM 942 CD GLN A 67 -5.403 -4.116 7.276 1.00 0.00 C ATOM 943 OE1 GLN A 67 -6.226 -4.406 8.128 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.091 -4.073 7.493 1.00 0.00 N ATOM 0 H GLN A 67 -6.539 -3.016 3.358 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.319 -3.090 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.631 -1.689 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.531 -1.955 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.559 -4.473 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.945 -3.862 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.457 -3.822 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.720 -4.291 8.418 1.00 0.00 H new ATOM 953 N SER A 68 -7.834 0.046 4.478 1.00 0.00 N ATOM 954 CA SER A 68 -8.401 1.382 4.547 1.00 0.00 C ATOM 955 C SER A 68 -8.117 2.138 3.247 1.00 0.00 C ATOM 956 O SER A 68 -9.043 2.559 2.555 1.00 0.00 O ATOM 957 CB SER A 68 -7.843 2.156 5.743 1.00 0.00 C ATOM 958 OG SER A 68 -8.877 2.756 6.519 1.00 0.00 O ATOM 0 H SER A 68 -7.005 -0.036 3.890 1.00 0.00 H new ATOM 0 HA SER A 68 -9.479 1.290 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.262 1.482 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.161 2.929 5.389 1.00 0.00 H new ATOM 0 HG SER A 68 -8.481 3.239 7.274 1.00 0.00 H new ATOM 964 N GLY A 69 -6.834 2.288 2.955 1.00 0.00 N ATOM 965 CA GLY A 69 -6.417 2.986 1.750 1.00 0.00 C ATOM 966 C GLY A 69 -6.645 4.493 1.883 1.00 0.00 C ATOM 967 O GLY A 69 -7.214 4.954 2.872 1.00 0.00 O ATOM 0 H GLY A 69 -6.069 1.938 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.362 2.790 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.973 2.605 0.894 1.00 0.00 H new ATOM 971 N PRO A 70 -6.177 5.239 0.847 1.00 0.00 N ATOM 972 CA PRO A 70 -6.324 6.684 0.839 1.00 0.00 C ATOM 973 C PRO A 70 -7.766 7.087 0.523 1.00 0.00 C ATOM 974 O PRO A 70 -8.027 7.729 -0.493 1.00 0.00 O ATOM 975 CB PRO A 70 -5.329 7.175 -0.200 1.00 0.00 C ATOM 976 CG PRO A 70 -4.997 5.968 -1.062 1.00 0.00 C ATOM 977 CD PRO A 70 -5.499 4.728 -0.340 1.00 0.00 C ATOM 0 HA PRO A 70 -6.119 7.133 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.756 7.978 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.433 7.574 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.468 6.057 -2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.922 5.903 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.179 4.153 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.676 4.066 -0.072 1.00 0.00 H new ATOM 985 N SER A 71 -8.665 6.692 1.412 1.00 0.00 N ATOM 986 CA SER A 71 -10.074 7.004 1.241 1.00 0.00 C ATOM 987 C SER A 71 -10.627 6.274 0.015 1.00 0.00 C ATOM 988 O SER A 71 -10.359 6.667 -1.119 1.00 0.00 O ATOM 989 CB SER A 71 -10.292 8.512 1.103 1.00 0.00 C ATOM 990 OG SER A 71 -11.185 9.016 2.093 1.00 0.00 O ATOM 0 H SER A 71 -8.445 6.159 2.253 1.00 0.00 H new ATOM 0 HA SER A 71 -10.609 6.667 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.334 9.026 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.689 8.732 0.112 1.00 0.00 H new ATOM 0 HG SER A 71 -11.296 9.982 1.972 1.00 0.00 H new ATOM 996 N SER A 72 -11.387 5.223 0.285 1.00 0.00 N ATOM 997 CA SER A 72 -11.980 4.435 -0.782 1.00 0.00 C ATOM 998 C SER A 72 -13.345 3.902 -0.342 1.00 0.00 C ATOM 999 O SER A 72 -13.694 3.974 0.835 1.00 0.00 O ATOM 1000 CB SER A 72 -11.063 3.278 -1.185 1.00 0.00 C ATOM 1001 OG SER A 72 -10.651 2.506 -0.061 1.00 0.00 O ATOM 0 H SER A 72 -11.606 4.899 1.227 1.00 0.00 H new ATOM 0 HA SER A 72 -12.112 5.079 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.582 2.635 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.184 3.673 -1.695 1.00 0.00 H new ATOM 0 HG SER A 72 -10.058 3.043 0.505 1.00 0.00 H new ATOM 1007 N GLY A 73 -14.080 3.378 -1.312 1.00 0.00 N ATOM 1008 CA GLY A 73 -15.400 2.833 -1.040 1.00 0.00 C ATOM 1009 C GLY A 73 -15.946 2.086 -2.258 1.00 0.00 C ATOM 1010 O GLY A 73 -17.063 1.573 -2.226 1.00 0.00 O ATOM 0 H GLY A 73 -13.787 3.319 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.349 2.157 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.081 3.639 -0.768 1.00 0.00 H new TER 1014 GLY A 73