USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 892 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 37 ASN : amide:sc= -2.87! C(o=-2.8!,f=-6.1!) USER MOD Set 1.2: A 106 THR OG1 : rot -150:sc= 0.0872 USER MOD Single : A 1 MET CE :methyl -152:sc= -0.0216 (180deg=-2.04) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.13 (180deg=0.882) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.198 F(o=-0.94,f=0.2) USER MOD Single : A 19 TYR OH : rot 66:sc= 0.955 USER MOD Single : A 24 CYS SG : rot -141:sc= -0.939 USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.99 USER MOD Single : A 32 THR OG1 : rot 111:sc= 1.1 USER MOD Single : A 43 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-4.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0292 F(o=-1.7!,f=-0.029) USER MOD Single : A 82 TYR OH : rot -146:sc= 1.06 USER MOD Single : A 83 HIS : no HE2:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 84 SER OG : rot 140:sc= 0 USER MOD Single : A 85 HIS : +bothHN:sc= 1.04 K(o=1,f=-3.7!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 17:sc= 0.363 USER MOD Single : A 111 SER OG : rot -90:sc= 0.292 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 133 HIS : no HD1:sc= 0.184 K(o=0.18,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.204 -6.490 4.755 1.00 0.00 N ATOM 2 CA MET A 1 -8.215 -6.298 3.664 1.00 0.00 C ATOM 3 C MET A 1 -8.130 -7.539 2.786 1.00 0.00 C ATOM 4 O MET A 1 -7.620 -8.574 3.209 1.00 0.00 O ATOM 5 CB MET A 1 -6.827 -5.974 4.231 1.00 0.00 C ATOM 6 CG MET A 1 -5.756 -5.865 3.157 1.00 0.00 C ATOM 7 SD MET A 1 -4.107 -5.601 3.832 1.00 0.00 S ATOM 8 CE MET A 1 -3.126 -5.638 2.335 1.00 0.00 C ATOM 0 H1 MET A 1 -8.985 -5.844 5.540 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.159 -6.288 4.397 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.162 -7.473 5.093 1.00 0.00 H new ATOM 0 HA MET A 1 -8.553 -5.457 3.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.876 -5.036 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.542 -6.748 4.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.756 -6.776 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.004 -5.042 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.119 -5.983 2.568 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.585 -6.317 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.076 -4.636 1.908 1.00 0.00 H new ATOM 20 N LYS A 2 -8.629 -7.432 1.566 1.00 0.00 N ATOM 21 CA LYS A 2 -8.587 -8.540 0.622 1.00 0.00 C ATOM 22 C LYS A 2 -7.560 -8.261 -0.463 1.00 0.00 C ATOM 23 O LYS A 2 -7.470 -7.142 -0.971 1.00 0.00 O ATOM 24 CB LYS A 2 -9.969 -8.771 0.001 1.00 0.00 C ATOM 25 CG LYS A 2 -10.839 -9.762 0.767 1.00 0.00 C ATOM 26 CD LYS A 2 -10.825 -9.495 2.263 1.00 0.00 C ATOM 27 CE LYS A 2 -11.819 -10.363 3.013 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.194 -9.809 2.955 1.00 0.00 N ATOM 0 H LYS A 2 -9.070 -6.587 1.204 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.297 -9.444 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.492 -7.817 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.841 -9.130 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.863 -9.705 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.487 -10.776 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.823 -9.675 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.054 -8.445 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.815 -11.368 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.508 -10.454 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.870 -10.521 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.252 -8.961 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.425 -9.556 1.973 1.00 0.00 H new ATOM 42 N THR A 3 -6.785 -9.269 -0.811 1.00 0.00 N ATOM 43 CA THR A 3 -5.722 -9.103 -1.785 1.00 0.00 C ATOM 44 C THR A 3 -5.420 -10.430 -2.479 1.00 0.00 C ATOM 45 O THR A 3 -5.960 -11.472 -2.101 1.00 0.00 O ATOM 46 CB THR A 3 -4.447 -8.540 -1.114 1.00 0.00 C ATOM 47 OG1 THR A 3 -3.457 -8.220 -2.103 1.00 0.00 O ATOM 48 CG2 THR A 3 -3.869 -9.532 -0.114 1.00 0.00 C ATOM 0 H THR A 3 -6.871 -10.213 -0.434 1.00 0.00 H new ATOM 0 HA THR A 3 -6.056 -8.388 -2.537 1.00 0.00 H new ATOM 0 HB THR A 3 -4.728 -7.632 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.658 -7.864 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.974 -9.109 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.607 -9.740 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.612 -10.458 -0.628 1.00 0.00 H new ATOM 56 N THR A 4 -4.567 -10.382 -3.491 1.00 0.00 N ATOM 57 CA THR A 4 -4.226 -11.562 -4.264 1.00 0.00 C ATOM 58 C THR A 4 -2.728 -11.851 -4.186 1.00 0.00 C ATOM 59 O THR A 4 -1.940 -10.985 -3.793 1.00 0.00 O ATOM 60 CB THR A 4 -4.632 -11.396 -5.743 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.071 -10.185 -6.275 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.147 -11.375 -5.893 1.00 0.00 C ATOM 0 H THR A 4 -4.096 -9.530 -3.796 1.00 0.00 H new ATOM 0 HA THR A 4 -4.778 -12.399 -3.835 1.00 0.00 H new ATOM 0 HB THR A 4 -4.244 -12.248 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.332 -10.089 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.407 -11.257 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.563 -12.311 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.558 -10.542 -5.322 1.00 0.00 H new ATOM 70 N PRO A 5 -2.318 -13.075 -4.563 1.00 0.00 N ATOM 71 CA PRO A 5 -0.902 -13.475 -4.593 1.00 0.00 C ATOM 72 C PRO A 5 -0.072 -12.549 -5.467 1.00 0.00 C ATOM 73 O PRO A 5 1.090 -12.270 -5.172 1.00 0.00 O ATOM 74 CB PRO A 5 -0.931 -14.876 -5.207 1.00 0.00 C ATOM 75 CG PRO A 5 -2.315 -15.370 -4.988 1.00 0.00 C ATOM 76 CD PRO A 5 -3.207 -14.167 -4.988 1.00 0.00 C ATOM 0 HA PRO A 5 -0.451 -13.439 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.687 -14.845 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.200 -15.530 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.606 -16.067 -5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.389 -15.907 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.627 -13.980 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.046 -14.290 -4.303 1.00 0.00 H new ATOM 84 N ASP A 6 -0.700 -12.074 -6.535 1.00 0.00 N ATOM 85 CA ASP A 6 -0.064 -11.152 -7.474 1.00 0.00 C ATOM 86 C ASP A 6 0.495 -9.933 -6.748 1.00 0.00 C ATOM 87 O ASP A 6 1.634 -9.527 -6.977 1.00 0.00 O ATOM 88 CB ASP A 6 -1.069 -10.708 -8.537 1.00 0.00 C ATOM 89 CG ASP A 6 -0.493 -9.700 -9.516 1.00 0.00 C ATOM 90 OD1 ASP A 6 0.254 -10.113 -10.429 1.00 0.00 O ATOM 91 OD2 ASP A 6 -0.798 -8.495 -9.387 1.00 0.00 O ATOM 0 H ASP A 6 -1.661 -12.315 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 6 0.762 -11.675 -7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.417 -11.582 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.940 -10.273 -8.046 1.00 0.00 H new ATOM 96 N ILE A 7 -0.304 -9.364 -5.860 1.00 0.00 N ATOM 97 CA ILE A 7 0.121 -8.206 -5.083 1.00 0.00 C ATOM 98 C ILE A 7 1.086 -8.625 -3.976 1.00 0.00 C ATOM 99 O ILE A 7 2.101 -7.970 -3.747 1.00 0.00 O ATOM 100 CB ILE A 7 -1.089 -7.469 -4.468 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.036 -6.984 -5.571 1.00 0.00 C ATOM 102 CG2 ILE A 7 -0.633 -6.298 -3.604 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.397 -6.008 -6.540 1.00 0.00 C ATOM 0 H ILE A 7 -1.251 -9.684 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 7 0.632 -7.524 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.626 -8.171 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.403 -7.847 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.903 -6.510 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.504 -5.796 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.001 -6.666 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.068 -5.594 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.128 -5.710 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.055 -5.127 -5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.548 -6.485 -7.029 1.00 0.00 H new ATOM 115 N LEU A 8 0.770 -9.733 -3.308 1.00 0.00 N ATOM 116 CA LEU A 8 1.582 -10.235 -2.196 1.00 0.00 C ATOM 117 C LEU A 8 3.029 -10.464 -2.618 1.00 0.00 C ATOM 118 O LEU A 8 3.962 -10.115 -1.889 1.00 0.00 O ATOM 119 CB LEU A 8 0.991 -11.539 -1.654 1.00 0.00 C ATOM 120 CG LEU A 8 -0.387 -11.408 -1.008 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.910 -12.774 -0.597 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.327 -10.472 0.189 1.00 0.00 C ATOM 0 H LEU A 8 -0.048 -10.305 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 8 1.572 -9.477 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.925 -12.257 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.681 -11.955 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.075 -10.983 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.893 -12.664 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.989 -13.413 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.224 -13.226 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.317 -10.390 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.373 -10.867 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.007 -9.487 -0.136 1.00 0.00 H new ATOM 134 N ASP A 9 3.207 -11.049 -3.794 1.00 0.00 N ATOM 135 CA ASP A 9 4.536 -11.319 -4.327 1.00 0.00 C ATOM 136 C ASP A 9 5.273 -10.008 -4.558 1.00 0.00 C ATOM 137 O ASP A 9 6.434 -9.862 -4.185 1.00 0.00 O ATOM 138 CB ASP A 9 4.425 -12.097 -5.641 1.00 0.00 C ATOM 139 CG ASP A 9 5.719 -12.772 -6.046 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.618 -12.091 -6.581 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.833 -14.002 -5.858 1.00 0.00 O ATOM 0 H ASP A 9 2.443 -11.347 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 9 5.094 -11.920 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.644 -12.851 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.114 -11.416 -6.434 1.00 0.00 H new ATOM 146 N GLN A 10 4.576 -9.053 -5.155 1.00 0.00 N ATOM 147 CA GLN A 10 5.129 -7.732 -5.400 1.00 0.00 C ATOM 148 C GLN A 10 5.518 -7.036 -4.096 1.00 0.00 C ATOM 149 O GLN A 10 6.575 -6.409 -4.016 1.00 0.00 O ATOM 150 CB GLN A 10 4.120 -6.888 -6.173 1.00 0.00 C ATOM 151 CG GLN A 10 3.903 -7.368 -7.595 1.00 0.00 C ATOM 152 CD GLN A 10 2.885 -6.534 -8.344 1.00 0.00 C ATOM 153 OE1 GLN A 10 3.224 -5.529 -8.967 1.00 0.00 O ATOM 154 NE2 GLN A 10 1.633 -6.949 -8.298 1.00 0.00 N ATOM 0 H GLN A 10 3.617 -9.172 -5.481 1.00 0.00 H new ATOM 0 HA GLN A 10 6.036 -7.846 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.167 -6.898 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.462 -5.853 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.852 -7.344 -8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.573 -8.407 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.393 -7.788 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.906 -6.431 -8.791 1.00 0.00 H new ATOM 163 N ILE A 11 4.668 -7.155 -3.076 1.00 0.00 N ATOM 164 CA ILE A 11 4.926 -6.522 -1.784 1.00 0.00 C ATOM 165 C ILE A 11 6.235 -7.019 -1.177 1.00 0.00 C ATOM 166 O ILE A 11 7.082 -6.218 -0.784 1.00 0.00 O ATOM 167 CB ILE A 11 3.776 -6.766 -0.777 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.483 -6.115 -1.276 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.144 -6.227 0.603 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.282 -6.390 -0.397 1.00 0.00 C ATOM 0 H ILE A 11 3.796 -7.683 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 11 4.998 -5.451 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 11 3.616 -7.841 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.633 -5.037 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.273 -6.472 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.322 -6.409 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.041 -6.731 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.332 -5.155 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.405 -5.896 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.105 -7.464 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.470 -6.008 0.606 1.00 0.00 H new ATOM 182 N ARG A 12 6.414 -8.335 -1.122 1.00 0.00 N ATOM 183 CA ARG A 12 7.619 -8.899 -0.523 1.00 0.00 C ATOM 184 C ARG A 12 8.862 -8.549 -1.343 1.00 0.00 C ATOM 185 O ARG A 12 9.941 -8.355 -0.784 1.00 0.00 O ATOM 186 CB ARG A 12 7.500 -10.416 -0.324 1.00 0.00 C ATOM 187 CG ARG A 12 7.198 -11.208 -1.582 1.00 0.00 C ATOM 188 CD ARG A 12 7.110 -12.696 -1.281 1.00 0.00 C ATOM 189 NE ARG A 12 6.789 -13.483 -2.469 1.00 0.00 N ATOM 190 CZ ARG A 12 6.374 -14.751 -2.440 1.00 0.00 C ATOM 191 NH1 ARG A 12 6.271 -15.396 -1.283 1.00 0.00 N ATOM 192 NH2 ARG A 12 6.072 -15.374 -3.570 1.00 0.00 N ATOM 0 H ARG A 12 5.751 -9.023 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 12 7.729 -8.448 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.432 -10.785 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.715 -10.611 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.259 -10.865 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.976 -11.029 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.059 -13.038 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.350 -12.866 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 12 6.888 -13.034 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.510 -14.922 -0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.953 -16.365 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.157 -14.884 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.755 -16.343 -3.549 1.00 0.00 H new ATOM 206 N VAL A 13 8.710 -8.449 -2.660 1.00 0.00 N ATOM 207 CA VAL A 13 9.822 -8.047 -3.516 1.00 0.00 C ATOM 208 C VAL A 13 10.172 -6.581 -3.278 1.00 0.00 C ATOM 209 O VAL A 13 11.335 -6.232 -3.092 1.00 0.00 O ATOM 210 CB VAL A 13 9.512 -8.268 -5.014 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.624 -7.704 -5.889 1.00 0.00 C ATOM 212 CG2 VAL A 13 9.316 -9.746 -5.304 1.00 0.00 C ATOM 0 H VAL A 13 7.838 -8.638 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 13 10.672 -8.676 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 13 8.589 -7.738 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.382 -7.872 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.723 -6.634 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.564 -8.202 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.099 -9.883 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.224 -10.291 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.484 -10.126 -4.711 1.00 0.00 H new ATOM 222 N HIS A 14 9.154 -5.729 -3.258 1.00 0.00 N ATOM 223 CA HIS A 14 9.354 -4.304 -3.022 1.00 0.00 C ATOM 224 C HIS A 14 9.869 -4.050 -1.610 1.00 0.00 C ATOM 225 O HIS A 14 10.549 -3.061 -1.364 1.00 0.00 O ATOM 226 CB HIS A 14 8.074 -3.509 -3.288 1.00 0.00 C ATOM 227 CG HIS A 14 7.805 -3.290 -4.748 1.00 0.00 C ATOM 228 ND1 HIS A 14 7.020 -3.964 -5.622 1.00 0.00 N flip ATOM 229 CD2 HIS A 14 8.395 -2.279 -5.474 1.00 0.00 C flip ATOM 230 CE1 HIS A 14 7.152 -3.353 -6.844 1.00 0.00 C flip ATOM 231 NE2 HIS A 14 7.986 -2.341 -6.726 1.00 0.00 N flip ATOM 0 H HIS A 14 8.181 -6.000 -3.402 1.00 0.00 H new ATOM 0 HA HIS A 14 10.111 -3.957 -3.725 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.229 -4.035 -2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.145 -2.542 -2.789 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.439 -4.775 -5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.086 -1.549 -5.079 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.653 -3.653 -7.754 1.00 0.00 H new ATOM 240 N GLY A 15 9.533 -4.942 -0.686 1.00 0.00 N ATOM 241 CA GLY A 15 10.079 -4.862 0.654 1.00 0.00 C ATOM 242 C GLY A 15 11.589 -5.010 0.662 1.00 0.00 C ATOM 243 O GLY A 15 12.289 -4.250 1.326 1.00 0.00 O ATOM 0 H GLY A 15 8.892 -5.720 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.806 -3.906 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.635 -5.641 1.274 1.00 0.00 H new ATOM 247 N ALA A 16 12.088 -5.989 -0.092 1.00 0.00 N ATOM 248 CA ALA A 16 13.526 -6.213 -0.215 1.00 0.00 C ATOM 249 C ALA A 16 14.168 -5.126 -1.074 1.00 0.00 C ATOM 250 O ALA A 16 15.316 -4.730 -0.854 1.00 0.00 O ATOM 251 CB ALA A 16 13.795 -7.587 -0.809 1.00 0.00 C ATOM 0 H ALA A 16 11.515 -6.641 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 16 13.969 -6.169 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.870 -7.742 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.369 -8.353 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.338 -7.652 -1.797 1.00 0.00 H new ATOM 257 N ASP A 17 13.409 -4.655 -2.058 1.00 0.00 N ATOM 258 CA ASP A 17 13.829 -3.548 -2.917 1.00 0.00 C ATOM 259 C ASP A 17 14.037 -2.289 -2.084 1.00 0.00 C ATOM 260 O ASP A 17 14.945 -1.496 -2.332 1.00 0.00 O ATOM 261 CB ASP A 17 12.755 -3.286 -3.973 1.00 0.00 C ATOM 262 CG ASP A 17 13.142 -2.215 -4.976 1.00 0.00 C ATOM 263 OD1 ASP A 17 13.811 -2.539 -5.979 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.758 -1.046 -4.777 1.00 0.00 O ATOM 0 H ASP A 17 12.487 -5.027 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 17 14.767 -3.813 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.547 -4.214 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.832 -2.990 -3.475 1.00 0.00 H new ATOM 269 N ALA A 18 13.183 -2.139 -1.084 1.00 0.00 N ATOM 270 CA ALA A 18 13.211 -0.992 -0.181 1.00 0.00 C ATOM 271 C ALA A 18 14.139 -1.228 1.007 1.00 0.00 C ATOM 272 O ALA A 18 13.950 -0.655 2.076 1.00 0.00 O ATOM 273 CB ALA A 18 11.804 -0.679 0.309 1.00 0.00 C ATOM 0 H ALA A 18 12.446 -2.811 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 18 13.600 -0.140 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.835 0.178 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.165 -0.448 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.403 -1.543 0.840 1.00 0.00 H new ATOM 279 N TYR A 19 15.145 -2.068 0.823 1.00 0.00 N ATOM 280 CA TYR A 19 16.131 -2.306 1.866 1.00 0.00 C ATOM 281 C TYR A 19 17.417 -1.558 1.517 1.00 0.00 C ATOM 282 O TYR A 19 17.736 -1.403 0.335 1.00 0.00 O ATOM 283 CB TYR A 19 16.399 -3.811 2.019 1.00 0.00 C ATOM 284 CG TYR A 19 16.533 -4.261 3.460 1.00 0.00 C ATOM 285 CD1 TYR A 19 15.556 -3.940 4.395 1.00 0.00 C ATOM 286 CD2 TYR A 19 17.630 -5.007 3.891 1.00 0.00 C ATOM 287 CE1 TYR A 19 15.663 -4.349 5.711 1.00 0.00 C ATOM 288 CE2 TYR A 19 17.738 -5.415 5.204 1.00 0.00 C ATOM 289 CZ TYR A 19 16.759 -5.082 6.109 1.00 0.00 C ATOM 290 OH TYR A 19 16.866 -5.501 7.414 1.00 0.00 O ATOM 0 H TYR A 19 15.301 -2.595 -0.036 1.00 0.00 H new ATOM 0 HA TYR A 19 15.750 -1.938 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.587 -4.366 1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.313 -4.065 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.698 -3.361 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 19 18.406 -5.269 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.892 -4.095 6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.592 -5.996 5.521 1.00 0.00 H new ATOM 0 HH TYR A 19 16.158 -6.150 7.608 1.00 0.00 H new ATOM 300 N PRO A 20 18.182 -1.075 2.520 1.00 0.00 N ATOM 301 CA PRO A 20 17.888 -1.274 3.947 1.00 0.00 C ATOM 302 C PRO A 20 16.678 -0.476 4.435 1.00 0.00 C ATOM 303 O PRO A 20 16.092 -0.808 5.465 1.00 0.00 O ATOM 304 CB PRO A 20 19.163 -0.795 4.661 1.00 0.00 C ATOM 305 CG PRO A 20 20.183 -0.609 3.587 1.00 0.00 C ATOM 306 CD PRO A 20 19.418 -0.304 2.335 1.00 0.00 C ATOM 0 HA PRO A 20 17.632 -2.314 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 20 18.985 0.137 5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.498 -1.526 5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.865 0.204 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 20 20.788 -1.507 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 20 19.219 0.763 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 20 19.960 -0.615 1.442 1.00 0.00 H new ATOM 314 N GLU A 21 16.316 0.573 3.707 1.00 0.00 N ATOM 315 CA GLU A 21 15.137 1.356 4.043 1.00 0.00 C ATOM 316 C GLU A 21 14.767 2.303 2.907 1.00 0.00 C ATOM 317 O GLU A 21 15.496 2.409 1.915 1.00 0.00 O ATOM 318 CB GLU A 21 15.343 2.134 5.345 1.00 0.00 C ATOM 319 CG GLU A 21 16.527 3.081 5.326 1.00 0.00 C ATOM 320 CD GLU A 21 16.702 3.781 6.652 1.00 0.00 C ATOM 321 OE1 GLU A 21 16.054 4.825 6.867 1.00 0.00 O ATOM 322 OE2 GLU A 21 17.471 3.275 7.498 1.00 0.00 O ATOM 0 H GLU A 21 16.821 0.899 2.883 1.00 0.00 H new ATOM 0 HA GLU A 21 14.311 0.661 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.440 2.705 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.474 1.424 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.433 2.526 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.388 3.822 4.539 1.00 0.00 H new ATOM 329 N GLU A 22 13.635 2.988 3.085 1.00 0.00 N ATOM 330 CA GLU A 22 13.049 3.873 2.074 1.00 0.00 C ATOM 331 C GLU A 22 12.496 3.074 0.900 1.00 0.00 C ATOM 332 O GLU A 22 13.175 2.226 0.325 1.00 0.00 O ATOM 333 CB GLU A 22 14.040 4.936 1.592 1.00 0.00 C ATOM 334 CG GLU A 22 13.459 5.859 0.532 1.00 0.00 C ATOM 335 CD GLU A 22 14.257 7.127 0.364 1.00 0.00 C ATOM 336 OE1 GLU A 22 14.017 8.081 1.132 1.00 0.00 O ATOM 337 OE2 GLU A 22 15.115 7.185 -0.539 1.00 0.00 O ATOM 0 H GLU A 22 13.092 2.943 3.947 1.00 0.00 H new ATOM 0 HA GLU A 22 12.222 4.398 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.367 5.532 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.925 4.443 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.418 5.331 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.433 6.113 0.800 1.00 0.00 H new ATOM 344 N GLY A 23 11.254 3.364 0.544 1.00 0.00 N ATOM 345 CA GLY A 23 10.579 2.605 -0.484 1.00 0.00 C ATOM 346 C GLY A 23 9.142 2.329 -0.108 1.00 0.00 C ATOM 347 O GLY A 23 8.412 1.666 -0.845 1.00 0.00 O ATOM 0 H GLY A 23 10.700 4.117 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.612 3.154 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.102 1.663 -0.646 1.00 0.00 H new ATOM 351 N CYS A 24 8.747 2.832 1.059 1.00 0.00 N ATOM 352 CA CYS A 24 7.373 2.720 1.525 1.00 0.00 C ATOM 353 C CYS A 24 6.457 3.524 0.613 1.00 0.00 C ATOM 354 O CYS A 24 6.880 4.527 0.039 1.00 0.00 O ATOM 355 CB CYS A 24 7.259 3.242 2.958 1.00 0.00 C ATOM 356 SG CYS A 24 8.467 2.537 4.107 1.00 0.00 S ATOM 0 H CYS A 24 9.367 3.325 1.702 1.00 0.00 H new ATOM 0 HA CYS A 24 7.076 1.671 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.375 4.326 2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.256 3.032 3.330 1.00 0.00 H new ATOM 0 HG CYS A 24 7.900 2.325 5.257 1.00 0.00 H new ATOM 362 N GLY A 25 5.212 3.098 0.494 1.00 0.00 N ATOM 363 CA GLY A 25 4.286 3.767 -0.393 1.00 0.00 C ATOM 364 C GLY A 25 2.848 3.485 -0.025 1.00 0.00 C ATOM 365 O GLY A 25 2.574 2.967 1.057 1.00 0.00 O ATOM 0 H GLY A 25 4.824 2.299 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.465 4.842 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.468 3.444 -1.418 1.00 0.00 H new ATOM 369 N PHE A 26 1.938 3.777 -0.936 1.00 0.00 N ATOM 370 CA PHE A 26 0.514 3.654 -0.659 1.00 0.00 C ATOM 371 C PHE A 26 -0.084 2.464 -1.396 1.00 0.00 C ATOM 372 O PHE A 26 0.408 2.059 -2.454 1.00 0.00 O ATOM 373 CB PHE A 26 -0.222 4.936 -1.065 1.00 0.00 C ATOM 374 CG PHE A 26 0.216 6.155 -0.301 1.00 0.00 C ATOM 375 CD1 PHE A 26 -0.359 6.464 0.919 1.00 0.00 C ATOM 376 CD2 PHE A 26 1.204 6.990 -0.803 1.00 0.00 C ATOM 377 CE1 PHE A 26 0.042 7.580 1.629 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.610 8.107 -0.098 1.00 0.00 C ATOM 379 CZ PHE A 26 1.029 8.402 1.119 1.00 0.00 C ATOM 0 H PHE A 26 2.158 4.102 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 26 0.394 3.495 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.067 5.111 -2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.292 4.792 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.131 5.825 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.661 6.764 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.415 7.809 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.381 8.748 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.345 9.274 1.672 1.00 0.00 H new ATOM 389 N LEU A 27 -1.148 1.916 -0.828 1.00 0.00 N ATOM 390 CA LEU A 27 -1.851 0.789 -1.419 1.00 0.00 C ATOM 391 C LEU A 27 -3.014 1.294 -2.258 1.00 0.00 C ATOM 392 O LEU A 27 -3.847 2.063 -1.775 1.00 0.00 O ATOM 393 CB LEU A 27 -2.383 -0.144 -0.325 1.00 0.00 C ATOM 394 CG LEU A 27 -1.325 -0.758 0.591 1.00 0.00 C ATOM 395 CD1 LEU A 27 -1.988 -1.493 1.743 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.431 -1.705 -0.190 1.00 0.00 C ATOM 0 H LEU A 27 -1.547 2.240 0.053 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.154 0.236 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.091 0.412 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.939 -0.952 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.710 0.046 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.223 -1.925 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.595 -0.795 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.623 -2.287 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.317 -2.133 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.035 -2.505 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.068 -1.158 -0.990 1.00 0.00 H new ATOM 408 N LEU A 28 -3.071 0.869 -3.509 1.00 0.00 N ATOM 409 CA LEU A 28 -4.134 1.302 -4.401 1.00 0.00 C ATOM 410 C LEU A 28 -5.151 0.186 -4.588 1.00 0.00 C ATOM 411 O LEU A 28 -4.795 -0.961 -4.866 1.00 0.00 O ATOM 412 CB LEU A 28 -3.559 1.727 -5.756 1.00 0.00 C ATOM 413 CG LEU A 28 -2.580 2.905 -5.709 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.047 3.213 -7.099 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.250 4.137 -5.115 1.00 0.00 C ATOM 0 H LEU A 28 -2.398 0.228 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.633 2.161 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.052 0.871 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.385 1.988 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.742 2.626 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.354 4.052 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.528 2.338 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.876 3.469 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.538 4.962 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.108 4.416 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.584 3.916 -4.101 1.00 0.00 H new ATOM 427 N GLY A 29 -6.412 0.528 -4.441 1.00 0.00 N ATOM 428 CA GLY A 29 -7.464 -0.446 -4.585 1.00 0.00 C ATOM 429 C GLY A 29 -8.817 0.196 -4.438 1.00 0.00 C ATOM 430 O GLY A 29 -8.945 1.402 -4.606 1.00 0.00 O ATOM 0 H GLY A 29 -6.730 1.472 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.389 -0.926 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.345 -1.228 -3.835 1.00 0.00 H new ATOM 434 N THR A 30 -9.824 -0.596 -4.132 1.00 0.00 N ATOM 435 CA THR A 30 -11.161 -0.066 -3.949 1.00 0.00 C ATOM 436 C THR A 30 -11.844 -0.678 -2.737 1.00 0.00 C ATOM 437 O THR A 30 -11.567 -1.820 -2.361 1.00 0.00 O ATOM 438 CB THR A 30 -12.027 -0.291 -5.201 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.555 -1.436 -5.928 1.00 0.00 O ATOM 440 CG2 THR A 30 -12.015 0.939 -6.101 1.00 0.00 C ATOM 0 H THR A 30 -9.744 -1.605 -4.005 1.00 0.00 H new ATOM 0 HA THR A 30 -11.056 1.006 -3.782 1.00 0.00 H new ATOM 0 HB THR A 30 -13.053 -0.469 -4.878 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.742 -1.317 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.634 0.754 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.409 1.795 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.993 1.149 -6.416 1.00 0.00 H new ATOM 448 N VAL A 31 -12.729 0.089 -2.129 1.00 0.00 N ATOM 449 CA VAL A 31 -13.549 -0.403 -1.039 1.00 0.00 C ATOM 450 C VAL A 31 -14.831 -0.989 -1.618 1.00 0.00 C ATOM 451 O VAL A 31 -15.447 -0.389 -2.500 1.00 0.00 O ATOM 452 CB VAL A 31 -13.889 0.722 -0.033 1.00 0.00 C ATOM 453 CG1 VAL A 31 -14.729 0.194 1.121 1.00 0.00 C ATOM 454 CG2 VAL A 31 -12.614 1.368 0.484 1.00 0.00 C ATOM 0 H VAL A 31 -12.899 1.064 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.993 -1.169 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.478 1.477 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.952 1.008 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.661 -0.219 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.177 -0.586 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.867 2.158 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.002 0.617 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.057 1.793 -0.351 1.00 0.00 H new ATOM 464 N THR A 32 -15.218 -2.164 -1.147 1.00 0.00 N ATOM 465 CA THR A 32 -16.355 -2.872 -1.724 1.00 0.00 C ATOM 466 C THR A 32 -17.673 -2.451 -1.084 1.00 0.00 C ATOM 467 O THR A 32 -18.733 -3.000 -1.394 1.00 0.00 O ATOM 468 CB THR A 32 -16.188 -4.385 -1.571 1.00 0.00 C ATOM 469 OG1 THR A 32 -15.890 -4.710 -0.204 1.00 0.00 O ATOM 470 CG2 THR A 32 -15.088 -4.913 -2.479 1.00 0.00 C ATOM 0 H THR A 32 -14.766 -2.647 -0.371 1.00 0.00 H new ATOM 0 HA THR A 32 -16.383 -2.609 -2.782 1.00 0.00 H new ATOM 0 HB THR A 32 -17.125 -4.859 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.649 -5.187 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.994 -5.991 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.337 -4.695 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.144 -4.432 -2.224 1.00 0.00 H new ATOM 478 N ASP A 33 -17.579 -1.486 -0.175 1.00 0.00 N ATOM 479 CA ASP A 33 -18.725 -0.928 0.547 1.00 0.00 C ATOM 480 C ASP A 33 -19.255 -1.890 1.606 1.00 0.00 C ATOM 481 O ASP A 33 -20.073 -1.511 2.445 1.00 0.00 O ATOM 482 CB ASP A 33 -19.854 -0.524 -0.399 1.00 0.00 C ATOM 483 CG ASP A 33 -19.501 0.662 -1.273 1.00 0.00 C ATOM 484 OD1 ASP A 33 -19.356 1.780 -0.734 1.00 0.00 O ATOM 485 OD2 ASP A 33 -19.392 0.485 -2.506 1.00 0.00 O ATOM 0 H ASP A 33 -16.690 -1.060 0.088 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.360 -0.032 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.109 -1.372 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.742 -0.285 0.186 1.00 0.00 H new ATOM 490 N ASP A 34 -18.791 -3.137 1.568 1.00 0.00 N ATOM 491 CA ASP A 34 -19.141 -4.118 2.595 1.00 0.00 C ATOM 492 C ASP A 34 -18.471 -3.742 3.903 1.00 0.00 C ATOM 493 O ASP A 34 -18.900 -4.145 4.982 1.00 0.00 O ATOM 494 CB ASP A 34 -18.682 -5.528 2.200 1.00 0.00 C ATOM 495 CG ASP A 34 -19.134 -5.940 0.821 1.00 0.00 C ATOM 496 OD1 ASP A 34 -20.294 -6.366 0.665 1.00 0.00 O ATOM 497 OD2 ASP A 34 -18.321 -5.846 -0.117 1.00 0.00 O ATOM 0 H ASP A 34 -18.173 -3.493 0.839 1.00 0.00 H new ATOM 0 HA ASP A 34 -20.226 -4.118 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.594 -5.574 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.063 -6.244 2.928 1.00 0.00 H new ATOM 502 N GLY A 35 -17.407 -2.961 3.785 1.00 0.00 N ATOM 503 CA GLY A 35 -16.616 -2.589 4.933 1.00 0.00 C ATOM 504 C GLY A 35 -15.170 -2.981 4.743 1.00 0.00 C ATOM 505 O GLY A 35 -14.291 -2.517 5.463 1.00 0.00 O ATOM 0 H GLY A 35 -17.077 -2.575 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.687 -1.513 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.014 -3.073 5.825 1.00 0.00 H new ATOM 509 N ASP A 36 -14.928 -3.832 3.752 1.00 0.00 N ATOM 510 CA ASP A 36 -13.590 -4.323 3.479 1.00 0.00 C ATOM 511 C ASP A 36 -12.960 -3.519 2.353 1.00 0.00 C ATOM 512 O ASP A 36 -13.644 -2.768 1.651 1.00 0.00 O ATOM 513 CB ASP A 36 -13.644 -5.800 3.093 1.00 0.00 C ATOM 514 CG ASP A 36 -12.410 -6.573 3.514 1.00 0.00 C ATOM 515 OD1 ASP A 36 -11.291 -6.193 3.121 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.564 -7.585 4.222 1.00 0.00 O ATOM 0 H ASP A 36 -15.646 -4.195 3.125 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.984 -4.212 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.523 -6.256 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.765 -5.882 2.013 1.00 0.00 H new ATOM 521 N ASN A 37 -11.667 -3.699 2.177 1.00 0.00 N ATOM 522 CA ASN A 37 -10.904 -2.976 1.179 1.00 0.00 C ATOM 523 C ASN A 37 -10.028 -3.939 0.388 1.00 0.00 C ATOM 524 O ASN A 37 -9.303 -4.755 0.962 1.00 0.00 O ATOM 525 CB ASN A 37 -10.047 -1.882 1.839 1.00 0.00 C ATOM 526 CG ASN A 37 -9.080 -2.398 2.902 1.00 0.00 C ATOM 527 OD1 ASN A 37 -9.330 -3.400 3.573 1.00 0.00 O ATOM 528 ND2 ASN A 37 -7.966 -1.701 3.074 1.00 0.00 N ATOM 0 H ASN A 37 -11.112 -4.355 2.726 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.600 -2.494 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.477 -1.367 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.708 -1.144 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.287 -1.990 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.788 -0.875 2.502 1.00 0.00 H new ATOM 535 N ARG A 38 -10.111 -3.864 -0.932 1.00 0.00 N ATOM 536 CA ARG A 38 -9.342 -4.755 -1.779 1.00 0.00 C ATOM 537 C ARG A 38 -8.182 -4.002 -2.413 1.00 0.00 C ATOM 538 O ARG A 38 -8.297 -2.826 -2.761 1.00 0.00 O ATOM 539 CB ARG A 38 -10.227 -5.386 -2.859 1.00 0.00 C ATOM 540 CG ARG A 38 -10.534 -4.462 -4.020 1.00 0.00 C ATOM 541 CD ARG A 38 -11.666 -5.000 -4.885 1.00 0.00 C ATOM 542 NE ARG A 38 -11.916 -4.152 -6.050 1.00 0.00 N ATOM 543 CZ ARG A 38 -12.489 -4.578 -7.180 1.00 0.00 C ATOM 544 NH1 ARG A 38 -12.944 -5.820 -7.275 1.00 0.00 N ATOM 545 NH2 ARG A 38 -12.629 -3.752 -8.212 1.00 0.00 N ATOM 0 H ARG A 38 -10.700 -3.199 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.944 -5.559 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.735 -6.281 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.165 -5.706 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.804 -3.477 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.639 -4.334 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.421 -6.009 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.575 -5.073 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.635 -3.173 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.858 -6.457 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.380 -6.139 -8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.299 -2.789 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.067 -4.081 -9.073 1.00 0.00 H new ATOM 559 N VAL A 39 -7.068 -4.687 -2.545 1.00 0.00 N ATOM 560 CA VAL A 39 -5.866 -4.103 -3.125 1.00 0.00 C ATOM 561 C VAL A 39 -5.702 -4.572 -4.565 1.00 0.00 C ATOM 562 O VAL A 39 -5.663 -5.775 -4.831 1.00 0.00 O ATOM 563 CB VAL A 39 -4.603 -4.476 -2.317 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.377 -3.774 -2.884 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.790 -4.132 -0.847 1.00 0.00 C ATOM 0 H VAL A 39 -6.964 -5.660 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.980 -3.019 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.447 -5.552 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.498 -4.050 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.233 -4.074 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.521 -2.695 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.891 -4.401 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.973 -3.062 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.641 -4.685 -0.449 1.00 0.00 H new ATOM 575 N ALA A 40 -5.621 -3.624 -5.487 1.00 0.00 N ATOM 576 CA ALA A 40 -5.533 -3.948 -6.905 1.00 0.00 C ATOM 577 C ALA A 40 -4.174 -3.570 -7.482 1.00 0.00 C ATOM 578 O ALA A 40 -3.688 -4.211 -8.414 1.00 0.00 O ATOM 579 CB ALA A 40 -6.644 -3.249 -7.675 1.00 0.00 C ATOM 0 H ALA A 40 -5.614 -2.625 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.650 -5.027 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.567 -3.499 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.612 -3.576 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.550 -2.170 -7.550 1.00 0.00 H new ATOM 585 N ALA A 41 -3.560 -2.534 -6.923 1.00 0.00 N ATOM 586 CA ALA A 41 -2.276 -2.052 -7.413 1.00 0.00 C ATOM 587 C ALA A 41 -1.442 -1.478 -6.274 1.00 0.00 C ATOM 588 O ALA A 41 -1.936 -1.281 -5.163 1.00 0.00 O ATOM 589 CB ALA A 41 -2.485 -1.004 -8.500 1.00 0.00 C ATOM 0 H ALA A 41 -3.932 -2.012 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.734 -2.896 -7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.517 -0.652 -8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.039 -1.445 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.048 -0.164 -8.093 1.00 0.00 H new ATOM 595 N LEU A 42 -0.181 -1.206 -6.555 1.00 0.00 N ATOM 596 CA LEU A 42 0.719 -0.649 -5.558 1.00 0.00 C ATOM 597 C LEU A 42 1.273 0.684 -6.032 1.00 0.00 C ATOM 598 O LEU A 42 1.464 0.893 -7.230 1.00 0.00 O ATOM 599 CB LEU A 42 1.874 -1.615 -5.279 1.00 0.00 C ATOM 600 CG LEU A 42 1.464 -2.979 -4.718 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.682 -3.871 -4.543 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.735 -2.816 -3.392 1.00 0.00 C ATOM 0 H LEU A 42 0.246 -1.362 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 42 0.155 -0.495 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.426 -1.773 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.560 -1.142 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 42 0.787 -3.451 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.372 -4.836 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.168 -4.017 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.381 -3.400 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.452 -3.797 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.391 -2.322 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.160 -2.212 -3.541 1.00 0.00 H new ATOM 614 N HIS A 43 1.525 1.593 -5.103 1.00 0.00 N ATOM 615 CA HIS A 43 2.166 2.849 -5.447 1.00 0.00 C ATOM 616 C HIS A 43 3.495 2.969 -4.723 1.00 0.00 C ATOM 617 O HIS A 43 3.554 2.922 -3.498 1.00 0.00 O ATOM 618 CB HIS A 43 1.274 4.049 -5.119 1.00 0.00 C ATOM 619 CG HIS A 43 1.929 5.363 -5.429 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.143 5.817 -6.712 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.457 6.298 -4.611 1.00 0.00 C ATOM 622 CE1 HIS A 43 2.777 6.975 -6.666 1.00 0.00 C ATOM 623 NE2 HIS A 43 2.980 7.290 -5.401 1.00 0.00 N ATOM 0 H HIS A 43 1.297 1.485 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 43 2.339 2.852 -6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.345 3.970 -5.683 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.009 4.021 -4.062 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.466 6.270 -3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.078 7.564 -7.520 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.448 8.132 -5.066 1.00 0.00 H new ATOM 632 N ARG A 44 4.548 3.129 -5.498 1.00 0.00 N ATOM 633 CA ARG A 44 5.894 3.221 -4.965 1.00 0.00 C ATOM 634 C ARG A 44 6.276 4.683 -4.818 1.00 0.00 C ATOM 635 O ARG A 44 5.974 5.488 -5.700 1.00 0.00 O ATOM 636 CB ARG A 44 6.865 2.529 -5.920 1.00 0.00 C ATOM 637 CG ARG A 44 6.312 1.239 -6.502 1.00 0.00 C ATOM 638 CD ARG A 44 7.079 0.813 -7.738 1.00 0.00 C ATOM 639 NE ARG A 44 6.307 -0.118 -8.559 1.00 0.00 N ATOM 640 CZ ARG A 44 6.430 -0.221 -9.881 1.00 0.00 C ATOM 641 NH1 ARG A 44 7.335 0.496 -10.532 1.00 0.00 N ATOM 642 NH2 ARG A 44 5.648 -1.053 -10.553 1.00 0.00 N ATOM 0 H ARG A 44 4.496 3.199 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 44 5.938 2.735 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.113 3.211 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.793 2.313 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.362 0.450 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.260 1.374 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.335 1.693 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.017 0.344 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 44 5.634 -0.725 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.945 1.134 -10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.422 0.410 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.954 -1.613 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.740 -1.134 -11.566 1.00 0.00 H new ATOM 656 N ALA A 45 6.916 5.032 -3.709 1.00 0.00 N ATOM 657 CA ALA A 45 7.378 6.397 -3.503 1.00 0.00 C ATOM 658 C ALA A 45 8.617 6.673 -4.348 1.00 0.00 C ATOM 659 O ALA A 45 9.729 6.789 -3.833 1.00 0.00 O ATOM 660 CB ALA A 45 7.666 6.664 -2.036 1.00 0.00 C ATOM 0 H ALA A 45 7.126 4.392 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 45 6.582 7.072 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.009 7.691 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.757 6.513 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.439 5.979 -1.686 1.00 0.00 H new ATOM 962 N ASP A 63 4.230 12.442 -2.256 1.00 0.00 N ATOM 963 CA ASP A 63 3.941 11.201 -2.960 1.00 0.00 C ATOM 964 C ASP A 63 2.452 10.866 -2.912 1.00 0.00 C ATOM 965 O ASP A 63 1.942 10.151 -3.775 1.00 0.00 O ATOM 966 CB ASP A 63 4.762 10.055 -2.367 1.00 0.00 C ATOM 967 CG ASP A 63 4.565 8.754 -3.117 1.00 0.00 C ATOM 968 OD1 ASP A 63 4.945 8.688 -4.307 1.00 0.00 O ATOM 969 OD2 ASP A 63 4.016 7.804 -2.527 1.00 0.00 O ATOM 0 HA ASP A 63 4.219 11.336 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.818 10.323 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.483 9.915 -1.323 1.00 0.00 H new ATOM 974 N TYR A 64 1.746 11.410 -1.924 1.00 0.00 N ATOM 975 CA TYR A 64 0.324 11.141 -1.782 1.00 0.00 C ATOM 976 C TYR A 64 -0.449 11.740 -2.949 1.00 0.00 C ATOM 977 O TYR A 64 -1.319 11.089 -3.521 1.00 0.00 O ATOM 978 CB TYR A 64 -0.221 11.690 -0.461 1.00 0.00 C ATOM 979 CG TYR A 64 -1.723 11.547 -0.342 1.00 0.00 C ATOM 980 CD1 TYR A 64 -2.306 10.299 -0.168 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.557 12.654 -0.430 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.679 10.159 -0.076 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.931 12.522 -0.344 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.485 11.272 -0.167 1.00 0.00 C ATOM 985 OH TYR A 64 -5.855 11.136 -0.090 1.00 0.00 O ATOM 0 H TYR A 64 2.134 12.034 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 64 0.192 10.059 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.256 11.168 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.047 12.743 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.677 9.423 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.125 13.634 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.117 9.182 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.566 13.393 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.276 12.017 -0.171 1.00 0.00 H new ATOM 995 N ARG A 65 -0.118 12.978 -3.298 1.00 0.00 N ATOM 996 CA ARG A 65 -0.745 13.654 -4.425 1.00 0.00 C ATOM 997 C ARG A 65 -0.519 12.890 -5.723 1.00 0.00 C ATOM 998 O ARG A 65 -1.405 12.822 -6.578 1.00 0.00 O ATOM 999 CB ARG A 65 -0.208 15.078 -4.543 1.00 0.00 C ATOM 1000 CG ARG A 65 -0.714 15.992 -3.442 1.00 0.00 C ATOM 1001 CD ARG A 65 -0.069 17.365 -3.501 1.00 0.00 C ATOM 1002 NE ARG A 65 -0.575 18.237 -2.446 1.00 0.00 N ATOM 1003 CZ ARG A 65 0.199 18.894 -1.586 1.00 0.00 C ATOM 1004 NH1 ARG A 65 1.523 18.821 -1.686 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -0.353 19.626 -0.628 1.00 0.00 N ATOM 0 H ARG A 65 0.585 13.536 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.819 13.692 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.881 15.054 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.494 15.490 -5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.796 16.096 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.511 15.538 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.012 17.265 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.262 17.818 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.585 18.350 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.949 18.260 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.113 19.326 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.368 19.684 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.238 20.131 0.033 1.00 0.00 H new ATOM 1019 N ALA A 66 0.663 12.306 -5.859 1.00 0.00 N ATOM 1020 CA ALA A 66 0.985 11.494 -7.026 1.00 0.00 C ATOM 1021 C ALA A 66 0.197 10.187 -7.006 1.00 0.00 C ATOM 1022 O ALA A 66 -0.246 9.701 -8.048 1.00 0.00 O ATOM 1023 CB ALA A 66 2.479 11.219 -7.087 1.00 0.00 C ATOM 0 H ALA A 66 1.416 12.379 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 66 0.701 12.049 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.702 10.612 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.020 12.163 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.788 10.685 -6.188 1.00 0.00 H new ATOM 1029 N ALA A 67 0.014 9.630 -5.812 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.779 8.417 -5.645 1.00 0.00 C ATOM 1031 C ALA A 67 -2.237 8.704 -5.962 1.00 0.00 C ATOM 1032 O ALA A 67 -2.915 7.907 -6.604 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.639 7.879 -4.226 1.00 0.00 C ATOM 0 H ALA A 67 0.405 10.000 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.411 7.659 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.237 6.974 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.407 7.648 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.987 8.630 -3.516 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.691 9.864 -5.508 1.00 0.00 N ATOM 1040 CA ASP A 68 -4.050 10.335 -5.756 1.00 0.00 C ATOM 1041 C ASP A 68 -4.328 10.439 -7.244 1.00 0.00 C ATOM 1042 O ASP A 68 -5.370 9.985 -7.727 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.244 11.699 -5.097 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.589 12.324 -5.410 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.606 11.896 -4.825 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.628 13.267 -6.226 1.00 0.00 O ATOM 0 H ASP A 68 -2.126 10.509 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.749 9.616 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.142 11.592 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.452 12.371 -5.427 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.386 11.030 -7.967 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.513 11.187 -9.407 1.00 0.00 C ATOM 1053 C ALA A 69 -3.650 9.832 -10.093 1.00 0.00 C ATOM 1054 O ALA A 69 -4.609 9.596 -10.821 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.319 11.948 -9.960 1.00 0.00 C ATOM 0 H ALA A 69 -2.523 11.409 -7.577 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.418 11.760 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.426 12.059 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.270 12.934 -9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.404 11.398 -9.741 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.710 8.931 -9.825 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.735 7.601 -10.425 1.00 0.00 C ATOM 1063 C ALA A 70 -3.980 6.833 -9.990 1.00 0.00 C ATOM 1064 O ALA A 70 -4.537 6.045 -10.754 1.00 0.00 O ATOM 1065 CB ALA A 70 -1.477 6.830 -10.056 1.00 0.00 C ATOM 0 H ALA A 70 -1.923 9.097 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.768 7.715 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.510 5.840 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.601 7.367 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.417 6.729 -8.972 1.00 0.00 H new ATOM 1071 N ALA A 71 -4.423 7.076 -8.763 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.617 6.428 -8.247 1.00 0.00 C ATOM 1073 C ALA A 71 -6.848 6.844 -9.044 1.00 0.00 C ATOM 1074 O ALA A 71 -7.613 5.994 -9.492 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.809 6.748 -6.771 1.00 0.00 C ATOM 0 H ALA A 71 -3.973 7.716 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.487 5.351 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.709 6.253 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.946 6.395 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.910 7.826 -6.643 1.00 0.00 H new ATOM 1081 N GLN A 72 -7.026 8.147 -9.242 1.00 0.00 N ATOM 1082 CA GLN A 72 -8.187 8.644 -9.977 1.00 0.00 C ATOM 1083 C GLN A 72 -8.094 8.254 -11.453 1.00 0.00 C ATOM 1084 O GLN A 72 -9.111 8.031 -12.108 1.00 0.00 O ATOM 1085 CB GLN A 72 -8.339 10.166 -9.824 1.00 0.00 C ATOM 1086 CG GLN A 72 -7.286 10.985 -10.553 1.00 0.00 C ATOM 1087 CD GLN A 72 -7.466 12.482 -10.366 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -7.947 12.890 -9.201 1.00 0.00 O flip ATOM 1089 NE2 GLN A 72 -7.154 13.273 -11.260 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.390 8.871 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.076 8.180 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.324 10.458 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.305 10.416 -8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.297 10.696 -10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.323 10.750 -11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.787 12.923 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.263 14.277 -11.114 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.869 8.179 -11.968 1.00 0.00 N ATOM 1099 CA GLU A 73 -6.635 7.731 -13.332 1.00 0.00 C ATOM 1100 C GLU A 73 -7.112 6.300 -13.530 1.00 0.00 C ATOM 1101 O GLU A 73 -7.752 5.974 -14.530 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.146 7.817 -13.660 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.620 9.233 -13.793 1.00 0.00 C ATOM 1104 CD GLU A 73 -3.183 9.267 -14.266 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -2.287 8.870 -13.496 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.947 9.669 -15.426 1.00 0.00 O ATOM 0 H GLU A 73 -6.022 8.425 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.200 8.381 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.583 7.304 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.959 7.283 -14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.245 9.786 -14.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.696 9.739 -12.830 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.799 5.457 -12.565 1.00 0.00 N ATOM 1114 CA GLN A 74 -7.139 4.045 -12.632 1.00 0.00 C ATOM 1115 C GLN A 74 -8.574 3.778 -12.179 1.00 0.00 C ATOM 1116 O GLN A 74 -9.197 2.805 -12.604 1.00 0.00 O ATOM 1117 CB GLN A 74 -6.156 3.260 -11.771 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.766 3.166 -12.382 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.735 2.595 -11.426 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -3.880 2.890 -10.141 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -2.799 1.913 -11.839 1.00 0.00 N flip ATOM 0 H GLN A 74 -6.304 5.728 -11.715 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.070 3.723 -13.671 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.084 3.732 -10.791 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.545 2.254 -11.612 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.809 2.543 -13.275 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.447 4.158 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.719 1.706 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.102 1.554 -11.186 1.00 0.00 H new ATOM 1130 N GLY A 75 -9.096 4.650 -11.330 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.420 4.449 -10.780 1.00 0.00 C ATOM 1132 C GLY A 75 -10.361 3.732 -9.449 1.00 0.00 C ATOM 1133 O GLY A 75 -11.245 2.950 -9.110 1.00 0.00 O ATOM 0 H GLY A 75 -8.624 5.496 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.914 5.413 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.023 3.871 -11.480 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.301 4.002 -8.703 1.00 0.00 N ATOM 1138 CA LEU A 76 -9.081 3.377 -7.414 1.00 0.00 C ATOM 1139 C LEU A 76 -8.979 4.443 -6.331 1.00 0.00 C ATOM 1140 O LEU A 76 -8.989 5.640 -6.623 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.790 2.556 -7.442 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.734 1.444 -8.494 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.366 0.779 -8.497 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.824 0.414 -8.237 1.00 0.00 C ATOM 0 H LEU A 76 -8.571 4.660 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.922 2.718 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.953 3.234 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.644 2.109 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.902 1.890 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.346 -0.008 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.601 1.521 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.169 0.347 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.770 -0.369 -8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.684 -0.025 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.800 0.897 -8.284 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.887 4.012 -5.086 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.678 4.921 -3.972 1.00 0.00 C ATOM 1158 C ASP A 77 -7.571 4.385 -3.076 1.00 0.00 C ATOM 1159 O ASP A 77 -7.063 3.282 -3.298 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.972 5.142 -3.171 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.536 3.876 -2.541 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -11.279 3.140 -3.229 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -10.285 3.645 -1.340 1.00 0.00 O ATOM 0 H ASP A 77 -8.954 3.030 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.378 5.890 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.780 5.872 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.725 5.574 -3.830 1.00 0.00 H new ATOM 1168 N VAL A 78 -7.182 5.172 -2.086 1.00 0.00 N ATOM 1169 CA VAL A 78 -6.109 4.783 -1.184 1.00 0.00 C ATOM 1170 C VAL A 78 -6.660 3.912 -0.066 1.00 0.00 C ATOM 1171 O VAL A 78 -7.288 4.409 0.868 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.401 6.017 -0.581 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -4.198 5.602 0.253 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.982 6.984 -1.679 1.00 0.00 C ATOM 0 H VAL A 78 -7.593 6.084 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.376 4.220 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.108 6.524 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.718 6.489 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.525 4.955 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.488 5.064 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.485 7.846 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.297 6.483 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.864 7.316 -2.227 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.439 2.612 -0.173 1.00 0.00 N ATOM 1185 CA VAL A 79 -6.981 1.667 0.796 1.00 0.00 C ATOM 1186 C VAL A 79 -6.047 1.484 1.984 1.00 0.00 C ATOM 1187 O VAL A 79 -6.415 0.869 2.987 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.275 0.291 0.156 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.389 0.411 -0.870 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.024 -0.295 -0.486 1.00 0.00 C ATOM 0 H VAL A 79 -5.889 2.185 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.920 2.095 1.148 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.597 -0.386 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.584 -0.566 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.294 0.777 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.090 1.109 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.261 -1.263 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.663 0.380 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.251 -0.422 0.272 1.00 0.00 H new ATOM 1200 N GLY A 80 -4.841 2.019 1.877 1.00 0.00 N ATOM 1201 CA GLY A 80 -3.898 1.907 2.965 1.00 0.00 C ATOM 1202 C GLY A 80 -2.497 2.316 2.574 1.00 0.00 C ATOM 1203 O GLY A 80 -2.281 2.878 1.499 1.00 0.00 O ATOM 0 H GLY A 80 -4.501 2.526 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.234 2.528 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.884 0.877 3.322 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.550 2.025 3.451 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.151 2.375 3.243 1.00 0.00 C ATOM 1209 C VAL A 81 0.716 1.187 3.636 1.00 0.00 C ATOM 1210 O VAL A 81 0.334 0.405 4.506 1.00 0.00 O ATOM 1211 CB VAL A 81 0.271 3.587 4.107 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.543 4.225 3.578 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -0.845 4.618 4.216 1.00 0.00 C ATOM 0 H VAL A 81 -1.728 1.538 4.330 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.022 2.635 2.192 1.00 0.00 H new ATOM 0 HB VAL A 81 0.472 3.210 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.813 5.074 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.350 3.492 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.380 4.568 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.510 5.454 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.104 4.980 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.721 4.159 4.675 1.00 0.00 H new ATOM 1223 N TYR A 82 1.875 1.052 3.023 1.00 0.00 N ATOM 1224 CA TYR A 82 2.776 -0.038 3.368 1.00 0.00 C ATOM 1225 C TYR A 82 4.138 0.503 3.777 1.00 0.00 C ATOM 1226 O TYR A 82 4.606 1.506 3.239 1.00 0.00 O ATOM 1227 CB TYR A 82 2.900 -1.074 2.233 1.00 0.00 C ATOM 1228 CG TYR A 82 3.467 -0.562 0.920 1.00 0.00 C ATOM 1229 CD1 TYR A 82 4.839 -0.549 0.685 1.00 0.00 C ATOM 1230 CD2 TYR A 82 2.627 -0.124 -0.096 1.00 0.00 C ATOM 1231 CE1 TYR A 82 5.352 -0.108 -0.521 1.00 0.00 C ATOM 1232 CE2 TYR A 82 3.134 0.312 -1.304 1.00 0.00 C ATOM 1233 CZ TYR A 82 4.495 0.321 -1.512 1.00 0.00 C ATOM 1234 OH TYR A 82 4.996 0.758 -2.716 1.00 0.00 O ATOM 0 H TYR A 82 2.216 1.674 2.290 1.00 0.00 H new ATOM 0 HA TYR A 82 2.344 -0.562 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.529 -1.892 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.912 -1.492 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.514 -0.889 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.559 -0.125 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.419 -0.100 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.465 0.645 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 82 4.429 1.477 -3.065 1.00 0.00 H new ATOM 1244 N HIS A 83 4.749 -0.151 4.755 1.00 0.00 N ATOM 1245 CA HIS A 83 6.011 0.302 5.319 1.00 0.00 C ATOM 1246 C HIS A 83 6.977 -0.866 5.431 1.00 0.00 C ATOM 1247 O HIS A 83 6.559 -2.008 5.636 1.00 0.00 O ATOM 1248 CB HIS A 83 5.805 0.908 6.718 1.00 0.00 C ATOM 1249 CG HIS A 83 4.765 1.987 6.791 1.00 0.00 C ATOM 1250 ND1 HIS A 83 5.059 3.338 6.780 1.00 0.00 N ATOM 1251 CD2 HIS A 83 3.418 1.904 6.907 1.00 0.00 C ATOM 1252 CE1 HIS A 83 3.941 4.031 6.884 1.00 0.00 C ATOM 1253 NE2 HIS A 83 2.930 3.186 6.961 1.00 0.00 N ATOM 0 H HIS A 83 4.386 -1.006 5.177 1.00 0.00 H new ATOM 0 HA HIS A 83 6.418 1.066 4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.529 0.110 7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.755 1.315 7.066 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.995 3.737 6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.835 0.996 6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.866 5.108 6.903 1.00 0.00 H new ATOM 1262 N SER A 84 8.261 -0.579 5.319 1.00 0.00 N ATOM 1263 CA SER A 84 9.281 -1.606 5.438 1.00 0.00 C ATOM 1264 C SER A 84 9.993 -1.489 6.780 1.00 0.00 C ATOM 1265 O SER A 84 10.437 -0.404 7.167 1.00 0.00 O ATOM 1266 CB SER A 84 10.291 -1.479 4.295 1.00 0.00 C ATOM 1267 OG SER A 84 9.642 -1.527 3.035 1.00 0.00 O ATOM 0 H SER A 84 8.623 0.359 5.145 1.00 0.00 H new ATOM 0 HA SER A 84 8.802 -2.583 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.838 -0.541 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.024 -2.283 4.361 1.00 0.00 H new ATOM 0 HG SER A 84 10.053 -0.874 2.430 1.00 0.00 H new ATOM 1273 N HIS A 85 10.074 -2.600 7.497 1.00 0.00 N ATOM 1274 CA HIS A 85 10.786 -2.649 8.767 1.00 0.00 C ATOM 1275 C HIS A 85 12.051 -3.488 8.620 1.00 0.00 C ATOM 1276 O HIS A 85 12.102 -4.398 7.790 1.00 0.00 O ATOM 1277 CB HIS A 85 9.897 -3.221 9.884 1.00 0.00 C ATOM 1278 CG HIS A 85 9.194 -2.182 10.715 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.704 -2.442 11.980 1.00 0.00 N ATOM 1280 CD2 HIS A 85 8.894 -0.882 10.460 1.00 0.00 C ATOM 1281 CE1 HIS A 85 8.131 -1.352 12.463 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.234 -0.392 11.564 1.00 0.00 N ATOM 0 H HIS A 85 9.652 -3.486 7.219 1.00 0.00 H new ATOM 0 HA HIS A 85 11.058 -1.631 9.044 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.150 -3.877 9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.511 -3.838 10.540 1.00 0.00 H new ATOM 0 HD1 HIS A 85 8.773 -3.336 12.466 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.129 -0.335 9.559 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.659 -1.263 13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.882 0.559 11.670 1.00 0.00 H new ATOM 1291 N PRO A 86 13.091 -3.172 9.412 1.00 0.00 N ATOM 1292 CA PRO A 86 14.371 -3.901 9.403 1.00 0.00 C ATOM 1293 C PRO A 86 14.232 -5.352 9.872 1.00 0.00 C ATOM 1294 O PRO A 86 13.130 -5.905 9.911 1.00 0.00 O ATOM 1295 CB PRO A 86 15.253 -3.105 10.377 1.00 0.00 C ATOM 1296 CG PRO A 86 14.580 -1.783 10.518 1.00 0.00 C ATOM 1297 CD PRO A 86 13.115 -2.059 10.371 1.00 0.00 C ATOM 0 HA PRO A 86 14.781 -3.971 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.334 -3.611 11.339 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.266 -2.993 9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.799 -1.333 11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.926 -1.084 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.657 -2.333 11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.575 -1.190 9.996 1.00 0.00 H new ATOM 1305 N ASP A 87 15.363 -5.958 10.228 1.00 0.00 N ATOM 1306 CA ASP A 87 15.417 -7.363 10.646 1.00 0.00 C ATOM 1307 C ASP A 87 14.829 -7.561 12.048 1.00 0.00 C ATOM 1308 O ASP A 87 15.425 -8.216 12.906 1.00 0.00 O ATOM 1309 CB ASP A 87 16.870 -7.864 10.598 1.00 0.00 C ATOM 1310 CG ASP A 87 17.813 -7.058 11.480 1.00 0.00 C ATOM 1311 OD1 ASP A 87 17.834 -5.815 11.359 1.00 0.00 O ATOM 1312 OD2 ASP A 87 18.549 -7.664 12.287 1.00 0.00 O ATOM 0 H ASP A 87 16.270 -5.491 10.236 1.00 0.00 H new ATOM 0 HA ASP A 87 14.810 -7.945 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.897 -8.909 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.226 -7.827 9.568 1.00 0.00 H new ATOM 1317 N HIS A 88 13.642 -7.010 12.249 1.00 0.00 N ATOM 1318 CA HIS A 88 12.923 -7.093 13.513 1.00 0.00 C ATOM 1319 C HIS A 88 11.417 -7.120 13.230 1.00 0.00 C ATOM 1320 O HIS A 88 11.004 -6.835 12.104 1.00 0.00 O ATOM 1321 CB HIS A 88 13.294 -5.909 14.420 1.00 0.00 C ATOM 1322 CG HIS A 88 14.505 -6.160 15.272 1.00 0.00 C ATOM 1323 ND1 HIS A 88 15.755 -5.648 14.993 1.00 0.00 N ATOM 1324 CD2 HIS A 88 14.645 -6.873 16.416 1.00 0.00 C ATOM 1325 CE1 HIS A 88 16.606 -6.036 15.925 1.00 0.00 C ATOM 1326 NE2 HIS A 88 15.960 -6.779 16.801 1.00 0.00 N ATOM 0 H HIS A 88 13.144 -6.486 11.530 1.00 0.00 H new ATOM 0 HA HIS A 88 13.203 -8.008 14.035 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.472 -5.030 13.801 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.447 -5.678 15.066 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.866 -7.415 16.930 1.00 0.00 H new ATOM 0 HE1 HIS A 88 17.656 -5.786 15.963 1.00 0.00 H new ATOM 0 HE2 HIS A 88 16.369 -7.213 17.629 1.00 0.00 H new ATOM 1335 N PRO A 89 10.583 -7.487 14.230 1.00 0.00 N ATOM 1336 CA PRO A 89 9.123 -7.615 14.066 1.00 0.00 C ATOM 1337 C PRO A 89 8.472 -6.451 13.313 1.00 0.00 C ATOM 1338 O PRO A 89 8.898 -5.296 13.415 1.00 0.00 O ATOM 1339 CB PRO A 89 8.618 -7.659 15.508 1.00 0.00 C ATOM 1340 CG PRO A 89 9.728 -8.296 16.262 1.00 0.00 C ATOM 1341 CD PRO A 89 10.996 -7.826 15.606 1.00 0.00 C ATOM 0 HA PRO A 89 8.872 -8.489 13.465 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.402 -6.659 15.885 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.697 -8.237 15.590 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.702 -8.008 17.313 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.650 -9.383 16.228 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.415 -6.962 16.121 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.761 -8.603 15.613 1.00 0.00 H new ATOM 1349 N ALA A 90 7.420 -6.770 12.571 1.00 0.00 N ATOM 1350 CA ALA A 90 6.729 -5.797 11.738 1.00 0.00 C ATOM 1351 C ALA A 90 5.618 -5.090 12.502 1.00 0.00 C ATOM 1352 O ALA A 90 4.764 -4.434 11.908 1.00 0.00 O ATOM 1353 CB ALA A 90 6.170 -6.481 10.504 1.00 0.00 C ATOM 0 H ALA A 90 7.023 -7.709 12.530 1.00 0.00 H new ATOM 0 HA ALA A 90 7.451 -5.038 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.654 -5.748 9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.985 -6.928 9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.469 -7.259 10.806 1.00 0.00 H new ATOM 1359 N ARG A 91 5.627 -5.222 13.820 1.00 0.00 N ATOM 1360 CA ARG A 91 4.665 -4.510 14.645 1.00 0.00 C ATOM 1361 C ARG A 91 5.099 -3.054 14.778 1.00 0.00 C ATOM 1362 O ARG A 91 6.295 -2.758 14.747 1.00 0.00 O ATOM 1363 CB ARG A 91 4.516 -5.158 16.032 1.00 0.00 C ATOM 1364 CG ARG A 91 5.787 -5.151 16.862 1.00 0.00 C ATOM 1365 CD ARG A 91 5.523 -5.588 18.296 1.00 0.00 C ATOM 1366 NE ARG A 91 6.763 -5.746 19.061 1.00 0.00 N ATOM 1367 CZ ARG A 91 7.008 -5.154 20.233 1.00 0.00 C ATOM 1368 NH1 ARG A 91 6.144 -4.289 20.747 1.00 0.00 N ATOM 1369 NH2 ARG A 91 8.137 -5.408 20.876 1.00 0.00 N ATOM 0 H ARG A 91 6.282 -5.809 14.336 1.00 0.00 H new ATOM 0 HA ARG A 91 3.690 -4.560 14.161 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.733 -4.636 16.582 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.184 -6.188 15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.522 -5.816 16.408 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.218 -4.150 16.860 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.886 -4.853 18.787 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.977 -6.531 18.292 1.00 0.00 H new ATOM 0 HE ARG A 91 7.488 -6.349 18.672 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.283 -4.070 20.247 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.341 -3.843 21.643 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.817 -6.054 20.476 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.327 -4.957 21.771 1.00 0.00 H new ATOM 1383 N PRO A 92 4.136 -2.130 14.889 1.00 0.00 N ATOM 1384 CA PRO A 92 4.419 -0.699 15.007 1.00 0.00 C ATOM 1385 C PRO A 92 5.262 -0.370 16.234 1.00 0.00 C ATOM 1386 O PRO A 92 4.933 -0.764 17.355 1.00 0.00 O ATOM 1387 CB PRO A 92 3.029 -0.059 15.131 1.00 0.00 C ATOM 1388 CG PRO A 92 2.127 -1.170 15.538 1.00 0.00 C ATOM 1389 CD PRO A 92 2.692 -2.403 14.901 1.00 0.00 C ATOM 0 HA PRO A 92 4.996 -0.334 14.157 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.028 0.741 15.871 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.711 0.381 14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.093 -1.270 16.623 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.106 -0.989 15.203 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.454 -3.299 15.474 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.300 -2.554 13.895 1.00 0.00 H new ATOM 1397 N SER A 93 6.355 0.344 16.015 1.00 0.00 N ATOM 1398 CA SER A 93 7.193 0.807 17.106 1.00 0.00 C ATOM 1399 C SER A 93 6.585 2.085 17.685 1.00 0.00 C ATOM 1400 O SER A 93 5.484 2.482 17.295 1.00 0.00 O ATOM 1401 CB SER A 93 8.624 1.050 16.599 1.00 0.00 C ATOM 1402 OG SER A 93 9.515 1.373 17.657 1.00 0.00 O ATOM 0 H SER A 93 6.682 0.615 15.088 1.00 0.00 H new ATOM 0 HA SER A 93 7.242 0.053 17.891 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.982 0.159 16.083 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.618 1.860 15.870 1.00 0.00 H new ATOM 0 HG SER A 93 10.414 1.518 17.295 1.00 0.00 H new ATOM 1408 N ALA A 94 7.295 2.726 18.602 1.00 0.00 N ATOM 1409 CA ALA A 94 6.812 3.955 19.214 1.00 0.00 C ATOM 1410 C ALA A 94 6.564 5.020 18.152 1.00 0.00 C ATOM 1411 O ALA A 94 5.548 5.704 18.176 1.00 0.00 O ATOM 1412 CB ALA A 94 7.798 4.454 20.257 1.00 0.00 C ATOM 0 H ALA A 94 8.207 2.416 18.938 1.00 0.00 H new ATOM 0 HA ALA A 94 5.866 3.744 19.712 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.420 5.374 20.704 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.921 3.698 21.032 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.760 4.649 19.784 1.00 0.00 H new ATOM 1418 N THR A 95 7.485 5.125 17.203 1.00 0.00 N ATOM 1419 CA THR A 95 7.379 6.105 16.131 1.00 0.00 C ATOM 1420 C THR A 95 6.244 5.752 15.170 1.00 0.00 C ATOM 1421 O THR A 95 5.490 6.631 14.755 1.00 0.00 O ATOM 1422 CB THR A 95 8.709 6.203 15.360 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.786 6.344 16.295 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.705 7.387 14.398 1.00 0.00 C ATOM 0 H THR A 95 8.319 4.539 17.154 1.00 0.00 H new ATOM 0 HA THR A 95 7.156 7.071 16.583 1.00 0.00 H new ATOM 0 HB THR A 95 8.838 5.293 14.774 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.635 6.405 15.809 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.657 7.429 13.869 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.895 7.268 13.678 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.560 8.311 14.958 1.00 0.00 H new ATOM 1432 N ASP A 96 6.112 4.468 14.831 1.00 0.00 N ATOM 1433 CA ASP A 96 5.017 4.015 13.969 1.00 0.00 C ATOM 1434 C ASP A 96 3.681 4.362 14.619 1.00 0.00 C ATOM 1435 O ASP A 96 2.748 4.812 13.956 1.00 0.00 O ATOM 1436 CB ASP A 96 5.078 2.498 13.723 1.00 0.00 C ATOM 1437 CG ASP A 96 6.396 2.015 13.141 1.00 0.00 C ATOM 1438 OD1 ASP A 96 7.371 1.895 13.911 1.00 0.00 O ATOM 1439 OD2 ASP A 96 6.452 1.702 11.930 1.00 0.00 O ATOM 0 H ASP A 96 6.744 3.728 15.137 1.00 0.00 H new ATOM 0 HA ASP A 96 5.117 4.521 13.009 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.898 1.981 14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.270 2.218 13.047 1.00 0.00 H new ATOM 1444 N LEU A 97 3.615 4.154 15.932 1.00 0.00 N ATOM 1445 CA LEU A 97 2.426 4.476 16.714 1.00 0.00 C ATOM 1446 C LEU A 97 2.168 5.984 16.677 1.00 0.00 C ATOM 1447 O LEU A 97 1.043 6.435 16.447 1.00 0.00 O ATOM 1448 CB LEU A 97 2.634 4.031 18.172 1.00 0.00 C ATOM 1449 CG LEU A 97 1.415 3.441 18.894 1.00 0.00 C ATOM 1450 CD1 LEU A 97 0.201 4.352 18.782 1.00 0.00 C ATOM 1451 CD2 LEU A 97 1.105 2.052 18.363 1.00 0.00 C ATOM 0 H LEU A 97 4.380 3.760 16.480 1.00 0.00 H new ATOM 0 HA LEU A 97 1.569 3.954 16.289 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.432 3.289 18.191 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.984 4.891 18.743 1.00 0.00 H new ATOM 0 HG LEU A 97 1.661 3.360 19.953 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.642 3.901 19.305 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.430 5.320 19.229 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.055 4.489 17.731 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.238 1.648 18.886 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.891 2.110 17.296 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.963 1.400 18.526 1.00 0.00 H new ATOM 1463 N GLU A 98 3.232 6.753 16.878 1.00 0.00 N ATOM 1464 CA GLU A 98 3.147 8.210 16.943 1.00 0.00 C ATOM 1465 C GLU A 98 2.790 8.824 15.590 1.00 0.00 C ATOM 1466 O GLU A 98 2.142 9.871 15.527 1.00 0.00 O ATOM 1467 CB GLU A 98 4.470 8.782 17.467 1.00 0.00 C ATOM 1468 CG GLU A 98 4.670 8.557 18.959 1.00 0.00 C ATOM 1469 CD GLU A 98 5.963 9.145 19.482 1.00 0.00 C ATOM 1470 OE1 GLU A 98 7.042 8.598 19.170 1.00 0.00 O ATOM 1471 OE2 GLU A 98 5.908 10.152 20.220 1.00 0.00 O ATOM 0 H GLU A 98 4.176 6.387 17.000 1.00 0.00 H new ATOM 0 HA GLU A 98 2.343 8.470 17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.297 8.325 16.923 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.504 9.852 17.259 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.833 8.996 19.502 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.656 7.486 19.164 1.00 0.00 H new ATOM 1478 N GLU A 99 3.201 8.174 14.513 1.00 0.00 N ATOM 1479 CA GLU A 99 2.921 8.672 13.171 1.00 0.00 C ATOM 1480 C GLU A 99 1.527 8.281 12.699 1.00 0.00 C ATOM 1481 O GLU A 99 1.006 8.852 11.740 1.00 0.00 O ATOM 1482 CB GLU A 99 3.970 8.169 12.183 1.00 0.00 C ATOM 1483 CG GLU A 99 5.312 8.855 12.343 1.00 0.00 C ATOM 1484 CD GLU A 99 5.222 10.351 12.136 1.00 0.00 C ATOM 1485 OE1 GLU A 99 4.792 11.061 13.068 1.00 0.00 O ATOM 1486 OE2 GLU A 99 5.586 10.826 11.042 1.00 0.00 O ATOM 0 H GLU A 99 3.729 7.302 14.539 1.00 0.00 H new ATOM 0 HA GLU A 99 2.963 9.760 13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.099 7.095 12.315 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.608 8.324 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.705 8.652 13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.020 8.434 11.629 1.00 0.00 H new ATOM 1493 N ALA A 100 0.919 7.315 13.369 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.423 6.882 13.017 1.00 0.00 C ATOM 1495 C ALA A 100 -1.460 7.876 13.525 1.00 0.00 C ATOM 1496 O ALA A 100 -2.086 7.670 14.564 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.698 5.492 13.559 1.00 0.00 C ATOM 0 H ALA A 100 1.332 6.817 14.157 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.495 6.842 11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.708 5.187 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.020 4.789 13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.604 5.500 14.645 1.00 0.00 H new ATOM 1503 N THR A 101 -1.605 8.977 12.806 1.00 0.00 N ATOM 1504 CA THR A 101 -2.545 10.017 13.184 1.00 0.00 C ATOM 1505 C THR A 101 -3.775 10.001 12.273 1.00 0.00 C ATOM 1506 O THR A 101 -4.822 10.544 12.616 1.00 0.00 O ATOM 1507 CB THR A 101 -1.866 11.396 13.117 1.00 0.00 C ATOM 1508 OG1 THR A 101 -0.545 11.307 13.671 1.00 0.00 O ATOM 1509 CG2 THR A 101 -2.665 12.439 13.887 1.00 0.00 C ATOM 0 H THR A 101 -1.081 9.173 11.953 1.00 0.00 H new ATOM 0 HA THR A 101 -2.869 9.824 14.207 1.00 0.00 H new ATOM 0 HB THR A 101 -1.815 11.702 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.112 12.185 13.627 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.162 13.404 13.822 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.664 12.522 13.458 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.742 12.139 14.932 1.00 0.00 H new ATOM 1517 N PHE A 102 -3.646 9.344 11.127 1.00 0.00 N ATOM 1518 CA PHE A 102 -4.697 9.334 10.109 1.00 0.00 C ATOM 1519 C PHE A 102 -5.374 7.962 10.004 1.00 0.00 C ATOM 1520 O PHE A 102 -4.942 7.095 9.246 1.00 0.00 O ATOM 1521 CB PHE A 102 -4.144 9.795 8.747 1.00 0.00 C ATOM 1522 CG PHE A 102 -2.838 9.156 8.336 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -1.637 9.577 8.891 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -2.812 8.143 7.389 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -0.441 8.999 8.512 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.617 7.563 7.006 1.00 0.00 C ATOM 1527 CZ PHE A 102 -0.431 7.992 7.570 1.00 0.00 C ATOM 0 H PHE A 102 -2.817 8.806 10.875 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.464 10.044 10.419 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.890 9.586 7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.009 10.876 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.638 10.366 9.628 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.736 7.803 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.486 9.336 8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.611 6.776 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.503 7.539 7.273 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.431 7.732 10.802 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.135 6.449 10.828 1.00 0.00 C ATOM 1539 C PRO A 103 -7.962 6.223 9.567 1.00 0.00 C ATOM 1540 O PRO A 103 -8.256 7.162 8.829 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.045 6.569 12.052 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.299 8.028 12.186 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.045 8.714 11.713 1.00 0.00 C ATOM 0 HA PRO A 103 -6.448 5.604 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.974 6.016 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.565 6.166 12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -9.158 8.331 11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -8.521 8.292 13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.269 9.650 11.201 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.384 8.957 12.545 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.334 4.974 9.325 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.122 4.649 8.152 1.00 0.00 C ATOM 1553 C GLY A 104 -8.305 3.932 7.099 1.00 0.00 C ATOM 1554 O GLY A 104 -8.851 3.366 6.150 1.00 0.00 O ATOM 0 H GLY A 104 -8.104 4.178 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.965 4.023 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.536 5.564 7.729 1.00 0.00 H new ATOM 1558 N PHE A 105 -6.993 3.953 7.268 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.091 3.306 6.331 1.00 0.00 C ATOM 1560 C PHE A 105 -5.461 2.074 6.962 1.00 0.00 C ATOM 1561 O PHE A 105 -5.245 2.025 8.175 1.00 0.00 O ATOM 1562 CB PHE A 105 -4.998 4.276 5.876 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.520 5.458 5.115 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -5.845 5.341 3.774 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.686 6.684 5.735 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -6.321 6.426 3.064 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -6.161 7.775 5.030 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.481 7.644 3.692 1.00 0.00 C ATOM 0 H PHE A 105 -6.528 4.414 8.050 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.670 2.999 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.452 4.630 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.285 3.739 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.725 4.390 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.442 6.790 6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.568 6.321 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.282 8.728 5.524 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.855 8.493 3.139 1.00 0.00 H new ATOM 1578 N THR A 106 -5.180 1.077 6.137 1.00 0.00 N ATOM 1579 CA THR A 106 -4.526 -0.133 6.604 1.00 0.00 C ATOM 1580 C THR A 106 -3.013 -0.003 6.447 1.00 0.00 C ATOM 1581 O THR A 106 -2.520 0.295 5.360 1.00 0.00 O ATOM 1582 CB THR A 106 -5.016 -1.363 5.813 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.450 -1.359 5.756 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.537 -2.656 6.458 1.00 0.00 C ATOM 0 H THR A 106 -5.395 1.083 5.140 1.00 0.00 H new ATOM 0 HA THR A 106 -4.776 -0.268 7.656 1.00 0.00 H new ATOM 0 HB THR A 106 -4.604 -1.308 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.778 -2.281 5.708 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.897 -3.507 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.447 -2.669 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.923 -2.720 7.475 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.281 -0.201 7.532 1.00 0.00 N ATOM 1593 CA TYR A 107 -0.832 -0.110 7.491 1.00 0.00 C ATOM 1594 C TYR A 107 -0.224 -1.495 7.348 1.00 0.00 C ATOM 1595 O TYR A 107 -0.258 -2.288 8.279 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.288 0.546 8.760 1.00 0.00 C ATOM 1597 CG TYR A 107 -0.831 1.929 9.033 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.527 2.997 8.199 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -1.628 2.168 10.144 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -1.007 4.265 8.464 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.115 3.430 10.413 1.00 0.00 C ATOM 1602 CZ TYR A 107 -1.800 4.475 9.574 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.277 5.731 9.847 1.00 0.00 O ATOM 0 H TYR A 107 -2.666 -0.425 8.449 1.00 0.00 H new ATOM 0 HA TYR A 107 -0.560 0.503 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -0.517 -0.095 9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.798 0.604 8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.094 2.834 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.871 1.352 10.809 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.763 5.087 7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.740 3.598 11.277 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.201 6.291 9.046 1.00 0.00 H new ATOM 1613 N VAL A 108 0.324 -1.784 6.184 1.00 0.00 N ATOM 1614 CA VAL A 108 0.975 -3.061 5.956 1.00 0.00 C ATOM 1615 C VAL A 108 2.474 -2.920 6.159 1.00 0.00 C ATOM 1616 O VAL A 108 3.144 -2.196 5.430 1.00 0.00 O ATOM 1617 CB VAL A 108 0.697 -3.597 4.539 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.366 -4.947 4.330 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.799 -3.693 4.291 1.00 0.00 C ATOM 0 H VAL A 108 0.332 -1.154 5.382 1.00 0.00 H new ATOM 0 HA VAL A 108 0.567 -3.773 6.673 1.00 0.00 H new ATOM 0 HB VAL A 108 1.120 -2.897 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.155 -5.305 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.443 -4.843 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.979 -5.661 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.977 -4.073 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.246 -4.370 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.248 -2.705 4.390 1.00 0.00 H new ATOM 1629 N ILE A 109 2.990 -3.595 7.166 1.00 0.00 N ATOM 1630 CA ILE A 109 4.404 -3.526 7.486 1.00 0.00 C ATOM 1631 C ILE A 109 5.060 -4.879 7.242 1.00 0.00 C ATOM 1632 O ILE A 109 4.572 -5.907 7.713 1.00 0.00 O ATOM 1633 CB ILE A 109 4.635 -3.096 8.952 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.862 -1.809 9.263 1.00 0.00 C ATOM 1635 CG2 ILE A 109 6.122 -2.899 9.212 1.00 0.00 C ATOM 1636 CD1 ILE A 109 4.005 -1.339 10.697 1.00 0.00 C ATOM 0 H ILE A 109 2.448 -4.202 7.781 1.00 0.00 H new ATOM 0 HA ILE A 109 4.854 -2.775 6.837 1.00 0.00 H new ATOM 0 HB ILE A 109 4.266 -3.884 9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.207 -1.019 8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.806 -1.970 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.273 -2.596 10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.651 -3.834 9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.508 -2.126 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.430 -0.424 10.839 1.00 0.00 H new ATOM 0 HD12 ILE A 109 3.633 -2.110 11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.056 -1.145 10.913 1.00 0.00 H new ATOM 1648 N VAL A 110 6.153 -4.877 6.491 1.00 0.00 N ATOM 1649 CA VAL A 110 6.864 -6.110 6.171 1.00 0.00 C ATOM 1650 C VAL A 110 8.209 -6.176 6.897 1.00 0.00 C ATOM 1651 O VAL A 110 8.937 -5.183 6.980 1.00 0.00 O ATOM 1652 CB VAL A 110 7.075 -6.252 4.642 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.841 -5.064 4.081 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.787 -7.562 4.306 1.00 0.00 C ATOM 0 H VAL A 110 6.568 -4.035 6.091 1.00 0.00 H new ATOM 0 HA VAL A 110 6.247 -6.941 6.513 1.00 0.00 H new ATOM 0 HB VAL A 110 6.091 -6.270 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.974 -5.191 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.282 -4.148 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.817 -5.000 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.922 -7.636 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.760 -7.583 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.187 -8.402 4.655 1.00 0.00 H new ATOM 1664 N SER A 111 8.507 -7.339 7.455 1.00 0.00 N ATOM 1665 CA SER A 111 9.785 -7.588 8.088 1.00 0.00 C ATOM 1666 C SER A 111 10.779 -8.153 7.081 1.00 0.00 C ATOM 1667 O SER A 111 10.642 -9.293 6.623 1.00 0.00 O ATOM 1668 CB SER A 111 9.605 -8.562 9.246 1.00 0.00 C ATOM 1669 OG SER A 111 9.019 -7.929 10.370 1.00 0.00 O ATOM 0 H SER A 111 7.868 -8.134 7.480 1.00 0.00 H new ATOM 0 HA SER A 111 10.177 -6.645 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.978 -9.395 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.572 -8.980 9.525 1.00 0.00 H new ATOM 0 HG SER A 111 9.724 -7.566 10.945 1.00 0.00 H new ATOM 1675 N VAL A 112 11.770 -7.353 6.726 1.00 0.00 N ATOM 1676 CA VAL A 112 12.792 -7.783 5.790 1.00 0.00 C ATOM 1677 C VAL A 112 14.089 -8.065 6.534 1.00 0.00 C ATOM 1678 O VAL A 112 14.675 -7.174 7.145 1.00 0.00 O ATOM 1679 CB VAL A 112 13.040 -6.722 4.697 1.00 0.00 C ATOM 1680 CG1 VAL A 112 14.002 -7.251 3.644 1.00 0.00 C ATOM 1681 CG2 VAL A 112 11.728 -6.293 4.060 1.00 0.00 C ATOM 0 H VAL A 112 11.888 -6.401 7.073 1.00 0.00 H new ATOM 0 HA VAL A 112 12.440 -8.693 5.305 1.00 0.00 H new ATOM 0 HB VAL A 112 13.494 -5.848 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.164 -6.488 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.953 -7.502 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.580 -8.142 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.924 -5.545 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.243 -7.158 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.075 -5.868 4.822 1.00 0.00 H new ATOM 1691 N ARG A 113 14.527 -9.312 6.491 1.00 0.00 N ATOM 1692 CA ARG A 113 15.714 -9.723 7.219 1.00 0.00 C ATOM 1693 C ARG A 113 16.918 -9.738 6.293 1.00 0.00 C ATOM 1694 O ARG A 113 17.162 -10.721 5.596 1.00 0.00 O ATOM 1695 CB ARG A 113 15.493 -11.097 7.860 1.00 0.00 C ATOM 1696 CG ARG A 113 14.277 -11.138 8.774 1.00 0.00 C ATOM 1697 CD ARG A 113 14.018 -12.530 9.331 1.00 0.00 C ATOM 1698 NE ARG A 113 15.042 -12.955 10.289 1.00 0.00 N ATOM 1699 CZ ARG A 113 14.768 -13.491 11.482 1.00 0.00 C ATOM 1700 NH1 ARG A 113 13.509 -13.643 11.878 1.00 0.00 N ATOM 1701 NH2 ARG A 113 15.757 -13.875 12.279 1.00 0.00 N ATOM 0 H ARG A 113 14.078 -10.057 5.959 1.00 0.00 H new ATOM 0 HA ARG A 113 15.909 -9.005 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.376 -11.844 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.380 -11.372 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.422 -10.441 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.399 -10.801 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.042 -12.547 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.977 -13.244 8.509 1.00 0.00 H new ATOM 0 HE ARG A 113 16.021 -12.835 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.744 -13.350 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.307 -14.053 12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.726 -13.761 11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.548 -14.284 13.190 1.00 0.00 H new ATOM 1715 N ASP A 114 17.613 -8.596 6.239 1.00 0.00 N ATOM 1716 CA ASP A 114 18.844 -8.426 5.444 1.00 0.00 C ATOM 1717 C ASP A 114 18.554 -8.409 3.940 1.00 0.00 C ATOM 1718 O ASP A 114 19.397 -8.019 3.133 1.00 0.00 O ATOM 1719 CB ASP A 114 19.856 -9.523 5.775 1.00 0.00 C ATOM 1720 CG ASP A 114 21.203 -9.307 5.111 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.861 -8.292 5.412 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.608 -10.148 4.280 1.00 0.00 O ATOM 0 H ASP A 114 17.339 -7.756 6.748 1.00 0.00 H new ATOM 0 HA ASP A 114 19.270 -7.459 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.993 -9.569 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.454 -10.487 5.463 1.00 0.00 H new ATOM 1727 N GLY A 115 17.348 -8.796 3.581 1.00 0.00 N ATOM 1728 CA GLY A 115 16.965 -8.884 2.190 1.00 0.00 C ATOM 1729 C GLY A 115 15.912 -9.945 2.002 1.00 0.00 C ATOM 1730 O GLY A 115 15.170 -9.939 1.026 1.00 0.00 O ATOM 0 H GLY A 115 16.613 -9.056 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.585 -7.921 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.838 -9.116 1.580 1.00 0.00 H new ATOM 1734 N ALA A 116 15.842 -10.854 2.968 1.00 0.00 N ATOM 1735 CA ALA A 116 14.852 -11.917 2.945 1.00 0.00 C ATOM 1736 C ALA A 116 13.642 -11.548 3.796 1.00 0.00 C ATOM 1737 O ALA A 116 13.732 -11.488 5.023 1.00 0.00 O ATOM 1738 CB ALA A 116 15.462 -13.223 3.428 1.00 0.00 C ATOM 0 H ALA A 116 16.462 -10.873 3.778 1.00 0.00 H new ATOM 0 HA ALA A 116 14.518 -12.049 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.706 -14.008 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.293 -13.499 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.825 -13.100 4.448 1.00 0.00 H new ATOM 1744 N PRO A 117 12.502 -11.265 3.156 1.00 0.00 N ATOM 1745 CA PRO A 117 11.259 -10.956 3.859 1.00 0.00 C ATOM 1746 C PRO A 117 10.676 -12.196 4.526 1.00 0.00 C ATOM 1747 O PRO A 117 10.325 -13.166 3.850 1.00 0.00 O ATOM 1748 CB PRO A 117 10.318 -10.455 2.753 1.00 0.00 C ATOM 1749 CG PRO A 117 11.177 -10.265 1.547 1.00 0.00 C ATOM 1750 CD PRO A 117 12.324 -11.218 1.700 1.00 0.00 C ATOM 0 HA PRO A 117 11.410 -10.227 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.524 -11.176 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.837 -9.521 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.618 -10.471 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.531 -9.236 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.094 -12.200 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.220 -10.860 1.192 1.00 0.00 H new ATOM 1758 N GLU A 118 10.589 -12.167 5.845 1.00 0.00 N ATOM 1759 CA GLU A 118 10.050 -13.289 6.597 1.00 0.00 C ATOM 1760 C GLU A 118 8.536 -13.325 6.462 1.00 0.00 C ATOM 1761 O GLU A 118 7.971 -14.264 5.898 1.00 0.00 O ATOM 1762 CB GLU A 118 10.447 -13.183 8.071 1.00 0.00 C ATOM 1763 CG GLU A 118 9.959 -14.346 8.923 1.00 0.00 C ATOM 1764 CD GLU A 118 10.451 -14.270 10.355 1.00 0.00 C ATOM 1765 OE1 GLU A 118 11.223 -13.344 10.670 1.00 0.00 O ATOM 1766 OE2 GLU A 118 10.070 -15.142 11.169 1.00 0.00 O ATOM 0 H GLU A 118 10.885 -11.377 6.419 1.00 0.00 H new ATOM 0 HA GLU A 118 10.464 -14.213 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.533 -13.123 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.049 -12.254 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.869 -14.362 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.294 -15.283 8.478 1.00 0.00 H new ATOM 1773 N ALA A 119 7.892 -12.292 6.975 1.00 0.00 N ATOM 1774 CA ALA A 119 6.449 -12.172 6.890 1.00 0.00 C ATOM 1775 C ALA A 119 6.042 -10.708 6.848 1.00 0.00 C ATOM 1776 O ALA A 119 6.792 -9.830 7.284 1.00 0.00 O ATOM 1777 CB ALA A 119 5.785 -12.874 8.067 1.00 0.00 C ATOM 0 H ALA A 119 8.350 -11.519 7.458 1.00 0.00 H new ATOM 0 HA ALA A 119 6.116 -12.652 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.703 -12.774 7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.053 -13.930 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.123 -12.421 8.999 1.00 0.00 H new ATOM 1783 N LEU A 120 4.865 -10.447 6.303 1.00 0.00 N ATOM 1784 CA LEU A 120 4.314 -9.104 6.289 1.00 0.00 C ATOM 1785 C LEU A 120 2.992 -9.087 7.043 1.00 0.00 C ATOM 1786 O LEU A 120 2.207 -10.033 6.958 1.00 0.00 O ATOM 1787 CB LEU A 120 4.182 -8.541 4.844 1.00 0.00 C ATOM 1788 CG LEU A 120 3.150 -9.166 3.870 1.00 0.00 C ATOM 1789 CD1 LEU A 120 3.241 -10.683 3.813 1.00 0.00 C ATOM 1790 CD2 LEU A 120 1.730 -8.717 4.198 1.00 0.00 C ATOM 0 H LEU A 120 4.272 -11.151 5.863 1.00 0.00 H new ATOM 0 HA LEU A 120 5.008 -8.437 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.950 -7.479 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.162 -8.617 4.373 1.00 0.00 H new ATOM 0 HG LEU A 120 3.404 -8.796 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.496 -11.066 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.236 -10.975 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.056 -11.096 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.033 -9.174 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.477 -9.024 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.664 -7.632 4.120 1.00 0.00 H new ATOM 1802 N THR A 121 2.768 -8.039 7.809 1.00 0.00 N ATOM 1803 CA THR A 121 1.563 -7.931 8.611 1.00 0.00 C ATOM 1804 C THR A 121 0.821 -6.642 8.302 1.00 0.00 C ATOM 1805 O THR A 121 1.438 -5.619 8.016 1.00 0.00 O ATOM 1806 CB THR A 121 1.883 -7.989 10.120 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.942 -7.075 10.436 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.279 -9.394 10.549 1.00 0.00 C ATOM 0 H THR A 121 3.405 -7.247 7.894 1.00 0.00 H new ATOM 0 HA THR A 121 0.930 -8.781 8.355 1.00 0.00 H new ATOM 0 HB THR A 121 0.981 -7.706 10.662 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.136 -7.118 11.396 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.498 -9.400 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.459 -10.082 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.164 -9.708 9.995 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.496 -6.695 8.360 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.306 -5.519 8.123 1.00 0.00 C ATOM 1818 C ALA A 122 -1.928 -5.065 9.427 1.00 0.00 C ATOM 1819 O ALA A 122 -2.185 -5.875 10.318 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.373 -5.810 7.079 1.00 0.00 C ATOM 0 H ALA A 122 -1.026 -7.541 8.569 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.676 -4.717 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.973 -4.915 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.896 -6.106 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.015 -6.617 7.430 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.128 -3.771 9.555 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.608 -3.200 10.792 1.00 0.00 C ATOM 1828 C TRP A 123 -3.685 -2.162 10.539 1.00 0.00 C ATOM 1829 O TRP A 123 -3.554 -1.312 9.657 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.448 -2.557 11.549 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.364 -3.523 11.912 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.733 -3.854 11.164 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.288 -4.298 13.109 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.498 -4.772 11.841 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.891 -5.061 13.037 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.101 -4.410 14.239 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.275 -5.929 14.056 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.723 -5.271 15.247 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.459 -6.021 15.153 1.00 0.00 C ATOM 0 H TRP A 123 -1.964 -3.092 8.812 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.040 -4.003 11.389 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.024 -1.760 10.939 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -1.830 -2.094 12.458 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.963 -3.453 10.188 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.375 -5.174 11.509 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.010 -3.832 14.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.183 -6.509 13.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.347 -5.370 16.123 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.731 -6.684 15.961 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.745 -2.239 11.317 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.794 -1.248 11.271 1.00 0.00 C ATOM 1852 C ALA A 124 -5.687 -0.351 12.492 1.00 0.00 C ATOM 1853 O ALA A 124 -5.635 -0.832 13.627 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.159 -1.915 11.210 1.00 0.00 C ATOM 0 H ALA A 124 -4.901 -2.986 11.994 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.680 -0.644 10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.936 -1.151 11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.221 -2.536 10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.300 -2.537 12.094 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.634 0.946 12.258 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.519 1.903 13.341 1.00 0.00 C ATOM 1862 C LEU A 125 -6.881 2.161 13.952 1.00 0.00 C ATOM 1863 O LEU A 125 -7.862 2.362 13.233 1.00 0.00 O ATOM 1864 CB LEU A 125 -4.919 3.217 12.832 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.846 4.350 13.860 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -3.882 4.001 14.985 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.438 5.647 13.181 1.00 0.00 C ATOM 0 H LEU A 125 -5.669 1.361 11.327 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.858 1.488 14.102 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -3.912 3.018 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.508 3.559 11.981 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.835 4.484 14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.848 4.821 15.702 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.221 3.094 15.486 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.886 3.837 14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.389 6.446 13.921 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.460 5.523 12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.172 5.904 12.417 1.00 0.00 H new ATOM 1879 N ALA A 126 -6.944 2.131 15.276 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.167 2.481 15.972 1.00 0.00 C ATOM 1881 C ALA A 126 -8.522 3.928 15.654 1.00 0.00 C ATOM 1882 O ALA A 126 -7.645 4.795 15.651 1.00 0.00 O ATOM 1883 CB ALA A 126 -8.009 2.276 17.472 1.00 0.00 C ATOM 0 H ALA A 126 -6.167 1.870 15.883 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.975 1.832 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.938 2.544 17.976 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.776 1.231 17.674 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.200 2.906 17.842 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.804 4.208 15.368 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.259 5.538 14.926 1.00 0.00 C ATOM 1891 C PRO A 127 -9.794 6.667 15.843 1.00 0.00 C ATOM 1892 O PRO A 127 -9.509 7.773 15.385 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.784 5.418 14.963 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.048 3.969 14.766 1.00 0.00 C ATOM 1895 CD PRO A 127 -10.919 3.249 15.450 1.00 0.00 C ATOM 0 HA PRO A 127 -9.853 5.794 13.947 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.187 5.769 15.913 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.248 6.016 14.179 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.009 3.685 15.195 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.085 3.719 13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.165 3.006 16.484 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.679 2.310 14.950 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.700 6.376 17.131 1.00 0.00 N ATOM 1904 CA ASP A 128 -9.342 7.382 18.127 1.00 0.00 C ATOM 1905 C ASP A 128 -7.828 7.542 18.243 1.00 0.00 C ATOM 1906 O ASP A 128 -7.344 8.265 19.112 1.00 0.00 O ATOM 1907 CB ASP A 128 -9.920 6.999 19.491 1.00 0.00 C ATOM 1908 CG ASP A 128 -11.419 6.793 19.446 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -11.857 5.664 19.149 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -12.165 7.758 19.701 1.00 0.00 O ATOM 0 H ASP A 128 -9.867 5.446 17.516 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.762 8.334 17.802 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -9.441 6.085 19.842 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.685 7.780 20.214 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.095 6.868 17.352 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.627 6.863 17.369 1.00 0.00 C ATOM 1917 C ARG A 129 -5.111 6.205 18.646 1.00 0.00 C ATOM 1918 O ARG A 129 -3.952 6.379 19.020 1.00 0.00 O ATOM 1919 CB ARG A 129 -5.043 8.280 17.262 1.00 0.00 C ATOM 1920 CG ARG A 129 -5.230 8.961 15.913 1.00 0.00 C ATOM 1921 CD ARG A 129 -6.622 9.553 15.751 1.00 0.00 C ATOM 1922 NE ARG A 129 -6.692 10.472 14.616 1.00 0.00 N ATOM 1923 CZ ARG A 129 -7.443 11.572 14.592 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -8.243 11.852 15.612 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -7.409 12.379 13.537 1.00 0.00 N ATOM 0 H ARG A 129 -7.500 6.311 16.600 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.302 6.293 16.499 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.500 8.903 18.031 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -3.976 8.233 17.482 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.487 9.751 15.801 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.050 8.239 15.116 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.345 8.749 15.613 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.901 10.080 16.663 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.131 10.258 13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.283 11.225 16.415 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -8.818 12.694 15.593 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.807 12.157 12.744 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -7.985 13.221 13.520 1.00 0.00 H new ATOM 1939 N SER A 130 -5.976 5.433 19.286 1.00 0.00 N ATOM 1940 CA SER A 130 -5.686 4.840 20.580 1.00 0.00 C ATOM 1941 C SER A 130 -4.673 3.700 20.481 1.00 0.00 C ATOM 1942 O SER A 130 -3.682 3.675 21.218 1.00 0.00 O ATOM 1943 CB SER A 130 -6.997 4.346 21.192 1.00 0.00 C ATOM 1944 OG SER A 130 -7.843 3.813 20.183 1.00 0.00 O ATOM 0 H SER A 130 -6.900 5.200 18.921 1.00 0.00 H new ATOM 0 HA SER A 130 -5.233 5.599 21.218 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.791 3.584 21.943 1.00 0.00 H new ATOM 0 HB3 SER A 130 -7.501 5.168 21.702 1.00 0.00 H new ATOM 0 HG SER A 130 -8.678 3.499 20.589 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.911 2.769 19.572 1.00 0.00 N ATOM 1951 CA GLU A 131 -4.070 1.589 19.460 1.00 0.00 C ATOM 1952 C GLU A 131 -4.107 1.023 18.047 1.00 0.00 C ATOM 1953 O GLU A 131 -4.803 1.543 17.170 1.00 0.00 O ATOM 1954 CB GLU A 131 -4.548 0.518 20.440 1.00 0.00 C ATOM 1955 CG GLU A 131 -5.948 0.019 20.123 1.00 0.00 C ATOM 1956 CD GLU A 131 -6.407 -1.098 21.032 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -5.565 -1.690 21.735 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -7.621 -1.392 21.035 1.00 0.00 O ATOM 0 H GLU A 131 -5.679 2.807 18.902 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.046 1.880 19.695 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.854 -0.322 20.421 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.531 0.923 21.452 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.648 0.851 20.200 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.977 -0.328 19.090 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.367 -0.056 17.843 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.371 -0.777 16.581 1.00 0.00 C ATOM 1967 C PHE A 132 -4.084 -2.110 16.729 1.00 0.00 C ATOM 1968 O PHE A 132 -4.046 -2.737 17.789 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.944 -1.029 16.092 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.337 0.111 15.327 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.086 1.326 15.939 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -1.008 -0.041 13.989 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -0.516 2.367 15.233 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -0.439 0.997 13.279 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.196 2.203 13.902 1.00 0.00 C ATOM 0 H PHE A 132 -2.747 -0.456 18.548 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.897 -0.161 15.852 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.312 -1.250 16.953 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -1.942 -1.916 15.459 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -1.339 1.462 16.980 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -1.199 -0.983 13.496 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -0.321 3.309 15.723 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -0.185 0.865 12.238 1.00 0.00 H new ATOM 0 HZ PHE A 132 0.245 3.018 13.348 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.736 -2.537 15.667 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.335 -3.858 15.618 1.00 0.00 C ATOM 1987 C HIS A 133 -4.802 -4.593 14.413 1.00 0.00 C ATOM 1988 O HIS A 133 -4.633 -4.008 13.345 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.864 -3.784 15.554 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.518 -3.334 16.828 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -8.244 -4.182 17.630 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.554 -2.123 17.437 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -8.696 -3.519 18.675 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.291 -2.267 18.589 1.00 0.00 N ATOM 0 H HIS A 133 -4.866 -1.985 14.819 1.00 0.00 H new ATOM 0 HA HIS A 133 -5.072 -4.392 16.531 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.149 -3.102 14.753 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -7.252 -4.767 15.288 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.090 -1.214 17.083 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -9.298 -3.932 19.470 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -8.491 -1.529 19.264 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.533 -5.866 14.584 1.00 0.00 N ATOM 2004 CA ARG A 134 -3.868 -6.637 13.555 1.00 0.00 C ATOM 2005 C ARG A 134 -4.838 -7.120 12.486 1.00 0.00 C ATOM 2006 O ARG A 134 -5.996 -7.447 12.766 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.137 -7.807 14.160 1.00 0.00 C ATOM 2008 CG ARG A 134 -2.264 -8.525 13.155 1.00 0.00 C ATOM 2009 CD ARG A 134 -1.394 -9.524 13.848 1.00 0.00 C ATOM 2010 NE ARG A 134 -0.898 -10.562 12.946 1.00 0.00 N ATOM 2011 CZ ARG A 134 -0.248 -11.652 13.348 1.00 0.00 C ATOM 2012 NH1 ARG A 134 0.003 -11.850 14.641 1.00 0.00 N ATOM 2013 NH2 ARG A 134 0.150 -12.550 12.453 1.00 0.00 N ATOM 0 H ARG A 134 -4.764 -6.392 15.427 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.148 -5.976 13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.521 -7.458 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -3.861 -8.509 14.575 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -2.887 -9.026 12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -1.647 -7.805 12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -0.548 -9.009 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.956 -9.990 14.657 1.00 0.00 H new ATOM 0 HE ARG A 134 -1.060 -10.444 11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.303 -11.164 15.331 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.502 -12.688 14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.043 -12.403 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 134 0.648 -13.387 12.757 1.00 0.00 H new ATOM 2027 N GLU A 135 -4.344 -7.143 11.264 1.00 0.00 N ATOM 2028 CA GLU A 135 -5.071 -7.668 10.128 1.00 0.00 C ATOM 2029 C GLU A 135 -4.219 -8.743 9.466 1.00 0.00 C ATOM 2030 O GLU A 135 -2.988 -8.731 9.582 1.00 0.00 O ATOM 2031 CB GLU A 135 -5.403 -6.546 9.136 1.00 0.00 C ATOM 2032 CG GLU A 135 -6.161 -7.010 7.899 1.00 0.00 C ATOM 2033 CD GLU A 135 -7.502 -7.640 8.223 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -7.525 -8.767 8.762 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -8.544 -7.018 7.926 1.00 0.00 O ATOM 0 H GLU A 135 -3.415 -6.793 11.030 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.015 -8.102 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.995 -5.787 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.475 -6.068 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -6.317 -6.159 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.550 -7.730 7.355 1.00 0.00 H new ATOM 2042 N ASP A 136 -4.858 -9.675 8.790 1.00 0.00 N ATOM 2043 CA ASP A 136 -4.143 -10.776 8.175 1.00 0.00 C ATOM 2044 C ASP A 136 -4.428 -10.813 6.680 1.00 0.00 C ATOM 2045 O ASP A 136 -5.178 -9.983 6.165 1.00 0.00 O ATOM 2046 CB ASP A 136 -4.537 -12.101 8.830 1.00 0.00 C ATOM 2047 CG ASP A 136 -3.438 -13.138 8.731 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -2.551 -13.152 9.612 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -3.448 -13.938 7.773 1.00 0.00 O ATOM 0 H ASP A 136 -5.868 -9.693 8.652 1.00 0.00 H new ATOM 0 HA ASP A 136 -3.073 -10.627 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.778 -11.928 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.440 -12.485 8.355 1.00 0.00 H new ATOM 2054 N ILE A 137 -3.831 -11.763 5.983 1.00 0.00 N ATOM 2055 CA ILE A 137 -4.006 -11.858 4.548 1.00 0.00 C ATOM 2056 C ILE A 137 -5.142 -12.811 4.224 1.00 0.00 C ATOM 2057 O ILE A 137 -5.062 -14.012 4.493 1.00 0.00 O ATOM 2058 CB ILE A 137 -2.716 -12.330 3.847 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -1.561 -11.359 4.134 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -2.944 -12.465 2.345 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -1.825 -9.941 3.667 1.00 0.00 C ATOM 0 H ILE A 137 -3.224 -12.476 6.387 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.246 -10.861 4.178 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.446 -13.309 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -1.365 -11.348 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -0.658 -11.729 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.024 -12.799 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -3.734 -13.193 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.238 -11.499 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.966 -9.314 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -1.991 -9.938 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -2.709 -9.551 4.171 1.00 0.00 H new ATOM 2073 N VAL A 138 -6.206 -12.266 3.658 1.00 0.00 N ATOM 2074 CA VAL A 138 -7.376 -13.050 3.311 1.00 0.00 C ATOM 2075 C VAL A 138 -7.740 -12.881 1.844 1.00 0.00 C ATOM 2076 O VAL A 138 -7.618 -11.791 1.278 1.00 0.00 O ATOM 2077 CB VAL A 138 -8.597 -12.687 4.184 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -8.622 -13.522 5.457 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -8.588 -11.209 4.533 1.00 0.00 C ATOM 0 H VAL A 138 -6.282 -11.275 3.428 1.00 0.00 H new ATOM 0 HA VAL A 138 -7.114 -14.091 3.499 1.00 0.00 H new ATOM 0 HB VAL A 138 -9.496 -12.906 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -9.491 -13.248 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -8.679 -14.579 5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -7.714 -13.338 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -9.457 -10.975 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -7.678 -10.971 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -8.622 -10.619 3.617 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.180 -13.972 1.240 1.00 0.00 N ATOM 2090 CA ARG A 139 -8.581 -13.974 -0.153 1.00 0.00 C ATOM 2091 C ARG A 139 -9.982 -13.406 -0.323 1.00 0.00 C ATOM 2092 O ARG A 139 -10.830 -13.532 0.564 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.558 -15.395 -0.710 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.174 -15.930 -1.022 1.00 0.00 C ATOM 2095 CD ARG A 139 -7.265 -17.269 -1.736 1.00 0.00 C ATOM 2096 NE ARG A 139 -8.225 -17.219 -2.844 1.00 0.00 N ATOM 2097 CZ ARG A 139 -7.917 -16.856 -4.090 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -6.662 -16.571 -4.412 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -8.872 -16.778 -5.012 1.00 0.00 N ATOM 0 H ARG A 139 -8.268 -14.877 1.701 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.874 -13.349 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.037 -16.060 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.158 -15.424 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.634 -15.216 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.605 -16.042 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -6.282 -17.548 -2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.564 -18.042 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.192 -17.479 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -5.928 -16.629 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.431 -16.294 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.838 -16.996 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.639 -16.501 -5.965 1.00 0.00 H new ATOM 2113 N PRO A 140 -10.243 -12.753 -1.458 1.00 0.00 N ATOM 2114 CA PRO A 140 -11.590 -12.355 -1.833 1.00 0.00 C ATOM 2115 C PRO A 140 -12.396 -13.564 -2.292 1.00 0.00 C ATOM 2116 O PRO A 140 -12.317 -13.977 -3.449 1.00 0.00 O ATOM 2117 CB PRO A 140 -11.389 -11.369 -2.995 1.00 0.00 C ATOM 2118 CG PRO A 140 -9.913 -11.138 -3.087 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.257 -12.335 -2.461 1.00 0.00 C ATOM 0 HA PRO A 140 -12.139 -11.912 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -11.779 -11.779 -3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -11.920 -10.435 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -9.602 -11.023 -4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.630 -10.223 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -9.065 -13.120 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.299 -12.081 -2.007 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.135 -14.155 -1.369 1.00 0.00 N ATOM 2128 CA ASP A 141 -13.903 -15.353 -1.671 1.00 0.00 C ATOM 2129 C ASP A 141 -15.372 -15.135 -1.340 1.00 0.00 C ATOM 2130 O ASP A 141 -15.736 -14.957 -0.178 1.00 0.00 O ATOM 2131 CB ASP A 141 -13.356 -16.549 -0.891 1.00 0.00 C ATOM 2132 CG ASP A 141 -13.851 -17.867 -1.445 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -13.323 -18.306 -2.492 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -14.753 -18.475 -0.836 1.00 0.00 O ATOM 0 H ASP A 141 -13.220 -13.827 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 141 -13.812 -15.563 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -12.267 -16.531 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -13.650 -16.463 0.155 1.00 0.00 H new