USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 42 ASN : amide:sc= -0.349 X(o=1.3,f=0.97) USER MOD Set 1.2: A 57 SER OG : rot -70:sc= 1.66 USER MOD Single : A 8 SER OG : rot -135:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -150:sc= 0.183 USER MOD Single : A 16 MET CE :methyl -177:sc= -0.415 (180deg=-0.43) USER MOD Single : A 18 SER OG : rot 140:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0953 X(o=0.095,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 60 SER OG : rot 87:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.584 (180deg=-0.267) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 157:sc= 0.778 USER MOD Single : A 70 ASN : amide:sc= -0.484 K(o=-0.48,f=-1.6) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= 2.5 (180deg=1.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -77:sc= 0.191 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0084) USER MOD Single : A 102 SER OG : rot -68:sc= 0.315 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.701 -3.834 7.698 1.00 0.00 N ATOM 29 CA ARG A 3 7.313 -4.104 6.327 1.00 0.00 C ATOM 30 C ARG A 3 6.323 -3.072 5.862 1.00 0.00 C ATOM 31 O ARG A 3 5.214 -2.967 6.364 1.00 0.00 O ATOM 32 CB ARG A 3 6.875 -5.557 6.151 1.00 0.00 C ATOM 33 CG ARG A 3 8.138 -6.385 5.861 1.00 0.00 C ATOM 34 CD ARG A 3 8.258 -7.673 6.645 1.00 0.00 C ATOM 35 NE ARG A 3 7.436 -8.758 6.114 1.00 0.00 N ATOM 36 CZ ARG A 3 7.863 -9.981 5.793 1.00 0.00 C ATOM 37 NH1 ARG A 3 9.154 -10.313 5.801 1.00 0.00 N ATOM 38 NH2 ARG A 3 6.945 -10.869 5.451 1.00 0.00 N ATOM 0 HA ARG A 3 8.173 -4.004 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.376 -5.919 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.161 -5.646 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.161 -6.622 4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.013 -5.769 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.301 -7.989 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.974 -7.486 7.681 1.00 0.00 H new ATOM 0 HE ARG A 3 6.444 -8.563 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.857 -9.621 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.439 -11.259 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.960 -10.606 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.222 -11.817 5.197 1.00 0.00 H new ATOM 52 N VAL A 4 6.755 -2.256 4.930 1.00 0.00 N ATOM 53 CA VAL A 4 5.934 -1.361 4.161 1.00 0.00 C ATOM 54 C VAL A 4 5.279 -2.212 3.073 1.00 0.00 C ATOM 55 O VAL A 4 5.833 -3.240 2.673 1.00 0.00 O ATOM 56 CB VAL A 4 6.922 -0.269 3.684 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.693 -0.676 2.447 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.305 1.108 3.515 1.00 0.00 C ATOM 0 H VAL A 4 7.741 -2.198 4.677 1.00 0.00 H new ATOM 0 HA VAL A 4 5.111 -0.862 4.672 1.00 0.00 H new ATOM 0 HB VAL A 4 7.631 -0.180 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.370 0.128 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.269 -1.577 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.996 -0.873 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.068 1.810 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.505 1.060 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.898 1.444 4.469 1.00 0.00 H new ATOM 68 N ALA A 5 4.110 -1.809 2.572 1.00 0.00 N ATOM 69 CA ALA A 5 3.619 -2.346 1.313 1.00 0.00 C ATOM 70 C ALA A 5 3.447 -1.167 0.367 1.00 0.00 C ATOM 71 O ALA A 5 3.136 -0.055 0.805 1.00 0.00 O ATOM 72 CB ALA A 5 2.305 -3.104 1.531 1.00 0.00 C ATOM 0 H ALA A 5 3.498 -1.123 3.014 1.00 0.00 H new ATOM 0 HA ALA A 5 4.319 -3.064 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.951 -3.500 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.471 -3.927 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.558 -2.426 1.943 1.00 0.00 H new ATOM 78 N ILE A 6 3.622 -1.399 -0.927 1.00 0.00 N ATOM 79 CA ILE A 6 3.440 -0.388 -1.950 1.00 0.00 C ATOM 80 C ILE A 6 2.534 -1.021 -3.007 1.00 0.00 C ATOM 81 O ILE A 6 2.900 -2.054 -3.571 1.00 0.00 O ATOM 82 CB ILE A 6 4.769 0.115 -2.535 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.802 0.521 -1.469 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.502 1.297 -3.478 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.710 -0.644 -1.054 1.00 0.00 C ATOM 0 H ILE A 6 3.898 -2.309 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 6 2.985 0.509 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 6 5.205 -0.723 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.415 1.336 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.281 0.902 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.446 1.653 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.848 0.975 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.022 2.104 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.419 -0.302 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.103 -1.450 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.254 -1.009 -1.925 1.00 0.00 H new ATOM 97 N PRO A 7 1.344 -0.454 -3.239 1.00 0.00 N ATOM 98 CA PRO A 7 0.404 -0.884 -4.241 1.00 0.00 C ATOM 99 C PRO A 7 1.001 -0.589 -5.613 1.00 0.00 C ATOM 100 O PRO A 7 1.361 0.549 -5.899 1.00 0.00 O ATOM 101 CB PRO A 7 -0.840 -0.039 -3.966 1.00 0.00 C ATOM 102 CG PRO A 7 -0.364 1.240 -3.317 1.00 0.00 C ATOM 103 CD PRO A 7 0.937 0.819 -2.698 1.00 0.00 C ATOM 0 HA PRO A 7 0.169 -1.948 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.376 0.173 -4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.531 -0.570 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.228 2.040 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.070 1.605 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.703 1.569 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.829 0.747 -1.616 1.00 0.00 H new ATOM 111 N SER A 8 1.072 -1.592 -6.468 1.00 0.00 N ATOM 112 CA SER A 8 1.582 -1.551 -7.822 1.00 0.00 C ATOM 113 C SER A 8 0.448 -2.103 -8.722 1.00 0.00 C ATOM 114 O SER A 8 -0.591 -2.584 -8.252 1.00 0.00 O ATOM 115 CB SER A 8 2.885 -2.375 -7.828 1.00 0.00 C ATOM 116 OG SER A 8 3.483 -2.437 -9.110 1.00 0.00 O ATOM 0 H SER A 8 0.750 -2.526 -6.213 1.00 0.00 H new ATOM 0 HA SER A 8 1.839 -0.561 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.591 -1.937 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.673 -3.386 -7.481 1.00 0.00 H new ATOM 0 HG SER A 8 3.767 -3.357 -9.294 1.00 0.00 H new ATOM 122 N VAL A 9 0.640 -2.048 -10.033 1.00 0.00 N ATOM 123 CA VAL A 9 -0.167 -2.653 -11.089 1.00 0.00 C ATOM 124 C VAL A 9 0.802 -3.361 -12.074 1.00 0.00 C ATOM 125 O VAL A 9 0.583 -3.409 -13.288 1.00 0.00 O ATOM 126 CB VAL A 9 -0.966 -1.503 -11.770 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.877 -0.756 -10.784 1.00 0.00 C ATOM 128 CG2 VAL A 9 -0.088 -0.419 -12.433 1.00 0.00 C ATOM 0 H VAL A 9 1.432 -1.535 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.874 -3.395 -10.718 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.539 -2.030 -12.532 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.411 0.035 -11.310 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.595 -1.453 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.272 -0.319 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.726 0.342 -12.882 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.551 0.042 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.532 -0.875 -13.205 1.00 0.00 H new ATOM 138 N GLY A 10 1.868 -3.970 -11.545 1.00 0.00 N ATOM 139 CA GLY A 10 2.847 -4.769 -12.258 1.00 0.00 C ATOM 140 C GLY A 10 3.935 -5.234 -11.286 1.00 0.00 C ATOM 141 O GLY A 10 3.904 -4.888 -10.099 1.00 0.00 O ATOM 0 H GLY A 10 2.075 -3.909 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.363 -5.631 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.291 -4.185 -13.064 1.00 0.00 H new ATOM 145 N LYS A 11 4.892 -6.029 -11.768 1.00 0.00 N ATOM 146 CA LYS A 11 5.700 -6.930 -10.945 1.00 0.00 C ATOM 147 C LYS A 11 7.190 -6.638 -11.054 1.00 0.00 C ATOM 148 O LYS A 11 8.018 -7.549 -11.088 1.00 0.00 O ATOM 149 CB LYS A 11 5.325 -8.399 -11.181 1.00 0.00 C ATOM 150 CG LYS A 11 5.313 -8.875 -12.634 1.00 0.00 C ATOM 151 CD LYS A 11 5.147 -10.403 -12.610 1.00 0.00 C ATOM 152 CE LYS A 11 4.750 -11.023 -13.950 1.00 0.00 C ATOM 153 NZ LYS A 11 4.528 -12.478 -13.796 1.00 0.00 N ATOM 0 H LYS A 11 5.131 -6.065 -12.759 1.00 0.00 H new ATOM 0 HA LYS A 11 5.458 -6.731 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.023 -9.023 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.335 -8.571 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.497 -8.408 -13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.239 -8.596 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.084 -10.852 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.392 -10.661 -11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.843 -10.547 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.532 -10.843 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.259 -12.887 -14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.403 -12.929 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.766 -12.642 -13.107 1.00 0.00 H new ATOM 167 N ASP A 12 7.542 -5.360 -11.084 1.00 0.00 N ATOM 168 CA ASP A 12 8.918 -4.890 -10.997 1.00 0.00 C ATOM 169 C ASP A 12 8.938 -3.662 -10.089 1.00 0.00 C ATOM 170 O ASP A 12 7.939 -2.947 -9.983 1.00 0.00 O ATOM 171 CB ASP A 12 9.469 -4.576 -12.404 1.00 0.00 C ATOM 172 CG ASP A 12 10.354 -5.680 -13.010 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.179 -6.292 -12.293 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.259 -5.948 -14.234 1.00 0.00 O ATOM 0 H ASP A 12 6.863 -4.604 -11.172 1.00 0.00 H new ATOM 0 HA ASP A 12 9.564 -5.659 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.630 -4.393 -13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.046 -3.653 -12.355 1.00 0.00 H new ATOM 179 N LEU A 13 10.087 -3.382 -9.474 1.00 0.00 N ATOM 180 CA LEU A 13 10.362 -2.246 -8.579 1.00 0.00 C ATOM 181 C LEU A 13 10.284 -0.917 -9.339 1.00 0.00 C ATOM 182 O LEU A 13 10.129 0.153 -8.753 1.00 0.00 O ATOM 183 CB LEU A 13 11.776 -2.463 -8.008 1.00 0.00 C ATOM 184 CG LEU A 13 12.157 -1.920 -6.619 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.066 -0.399 -6.533 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.349 -2.575 -5.495 1.00 0.00 C ATOM 0 H LEU A 13 10.906 -3.978 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 13 9.621 -2.196 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.953 -3.538 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.479 -2.036 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 13 13.203 -2.191 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.346 -0.074 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.742 0.048 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.045 -0.083 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.655 -2.158 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.287 -2.384 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.528 -3.650 -5.497 1.00 0.00 H new ATOM 198 N SER A 14 10.316 -0.970 -10.665 1.00 0.00 N ATOM 199 CA SER A 14 10.054 0.183 -11.495 1.00 0.00 C ATOM 200 C SER A 14 8.750 0.045 -12.281 1.00 0.00 C ATOM 201 O SER A 14 8.649 0.519 -13.415 1.00 0.00 O ATOM 202 CB SER A 14 11.269 0.410 -12.380 1.00 0.00 C ATOM 203 OG SER A 14 11.993 -0.751 -12.768 1.00 0.00 O ATOM 0 H SER A 14 10.526 -1.819 -11.189 1.00 0.00 H new ATOM 0 HA SER A 14 9.902 1.065 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.943 0.927 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.952 1.080 -11.858 1.00 0.00 H new ATOM 0 HG SER A 14 12.750 -0.491 -13.334 1.00 0.00 H new ATOM 209 N SER A 15 7.720 -0.527 -11.655 1.00 0.00 N ATOM 210 CA SER A 15 6.360 -0.454 -12.191 1.00 0.00 C ATOM 211 C SER A 15 5.603 0.695 -11.490 1.00 0.00 C ATOM 212 O SER A 15 6.046 1.163 -10.447 1.00 0.00 O ATOM 213 CB SER A 15 5.664 -1.817 -12.001 1.00 0.00 C ATOM 214 OG SER A 15 6.486 -2.882 -12.421 1.00 0.00 O ATOM 0 H SER A 15 7.801 -1.044 -10.780 1.00 0.00 H new ATOM 0 HA SER A 15 6.374 -0.239 -13.260 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.403 -1.950 -10.951 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.732 -1.832 -12.565 1.00 0.00 H new ATOM 0 HG SER A 15 5.927 -3.620 -12.742 1.00 0.00 H new ATOM 220 N MET A 16 4.428 1.110 -11.962 1.00 0.00 N ATOM 221 CA MET A 16 3.689 2.297 -11.508 1.00 0.00 C ATOM 222 C MET A 16 2.973 2.027 -10.173 1.00 0.00 C ATOM 223 O MET A 16 2.309 0.997 -10.037 1.00 0.00 O ATOM 224 CB MET A 16 2.610 2.583 -12.580 1.00 0.00 C ATOM 225 CG MET A 16 2.950 3.762 -13.497 1.00 0.00 C ATOM 226 SD MET A 16 1.837 5.178 -13.303 1.00 0.00 S ATOM 227 CE MET A 16 2.104 5.539 -11.551 1.00 0.00 C ATOM 0 H MET A 16 3.940 0.609 -12.704 1.00 0.00 H new ATOM 0 HA MET A 16 4.378 3.130 -11.368 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.469 1.690 -13.189 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.661 2.783 -12.083 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.972 4.084 -13.297 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.919 3.426 -14.533 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.452 6.357 -11.245 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.878 4.653 -10.958 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.144 5.825 -11.393 1.00 0.00 H new ATOM 237 N VAL A 17 3.077 2.926 -9.188 1.00 0.00 N ATOM 238 CA VAL A 17 2.325 2.812 -7.928 1.00 0.00 C ATOM 239 C VAL A 17 0.845 3.103 -8.213 1.00 0.00 C ATOM 240 O VAL A 17 0.518 3.966 -9.027 1.00 0.00 O ATOM 241 CB VAL A 17 2.951 3.719 -6.838 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.277 3.746 -5.463 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.371 3.245 -6.577 1.00 0.00 C ATOM 0 H VAL A 17 3.679 3.748 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 17 2.384 1.800 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 17 2.848 4.721 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.822 4.422 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.249 4.093 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.280 2.743 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.829 3.872 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.352 2.210 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.952 3.313 -7.497 1.00 0.00 H new ATOM 253 N SER A 18 -0.068 2.346 -7.609 1.00 0.00 N ATOM 254 CA SER A 18 -1.504 2.448 -7.866 1.00 0.00 C ATOM 255 C SER A 18 -2.105 3.518 -6.960 1.00 0.00 C ATOM 256 O SER A 18 -1.801 3.562 -5.764 1.00 0.00 O ATOM 257 CB SER A 18 -2.166 1.082 -7.639 1.00 0.00 C ATOM 258 OG SER A 18 -3.431 0.995 -8.278 1.00 0.00 O ATOM 0 H SER A 18 0.171 1.635 -6.918 1.00 0.00 H new ATOM 0 HA SER A 18 -1.681 2.739 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.513 0.295 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.287 0.910 -6.569 1.00 0.00 H new ATOM 0 HG SER A 18 -3.536 0.106 -8.676 1.00 0.00 H new ATOM 264 N ASP A 19 -2.994 4.354 -7.503 1.00 0.00 N ATOM 265 CA ASP A 19 -3.533 5.526 -6.807 1.00 0.00 C ATOM 266 C ASP A 19 -4.678 5.148 -5.850 1.00 0.00 C ATOM 267 O ASP A 19 -5.704 5.826 -5.740 1.00 0.00 O ATOM 268 CB ASP A 19 -4.013 6.549 -7.864 1.00 0.00 C ATOM 269 CG ASP A 19 -3.082 7.741 -7.909 1.00 0.00 C ATOM 270 OD1 ASP A 19 -3.199 8.608 -7.013 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.216 7.780 -8.807 1.00 0.00 O ATOM 0 H ASP A 19 -3.363 4.236 -8.446 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.747 5.966 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.054 6.075 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.024 6.879 -7.626 1.00 0.00 H new ATOM 276 N ARG A 20 -4.570 4.000 -5.183 1.00 0.00 N ATOM 277 CA ARG A 20 -5.746 3.312 -4.665 1.00 0.00 C ATOM 278 C ARG A 20 -5.314 2.020 -3.990 1.00 0.00 C ATOM 279 O ARG A 20 -5.160 1.017 -4.677 1.00 0.00 O ATOM 280 CB ARG A 20 -6.767 3.014 -5.804 1.00 0.00 C ATOM 281 CG ARG A 20 -6.273 2.799 -7.257 1.00 0.00 C ATOM 282 CD ARG A 20 -7.423 2.716 -8.272 1.00 0.00 C ATOM 283 NE ARG A 20 -7.838 4.021 -8.813 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.893 4.227 -9.608 1.00 0.00 C ATOM 285 NH1 ARG A 20 -9.713 3.236 -9.939 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.125 5.445 -10.076 1.00 0.00 N ATOM 0 H ARG A 20 -3.685 3.531 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.240 3.956 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.321 2.121 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.479 3.839 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.608 3.617 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.686 1.882 -7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.120 2.072 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.281 2.242 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.275 4.833 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.544 2.294 -9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.512 3.417 -10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.502 6.214 -9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.927 5.614 -10.683 1.00 0.00 H new ATOM 300 N PHE A 21 -5.150 1.995 -2.663 1.00 0.00 N ATOM 301 CA PHE A 21 -4.693 0.806 -1.965 1.00 0.00 C ATOM 302 C PHE A 21 -5.549 -0.424 -2.268 1.00 0.00 C ATOM 303 O PHE A 21 -5.002 -1.468 -2.592 1.00 0.00 O ATOM 304 CB PHE A 21 -4.714 1.090 -0.467 1.00 0.00 C ATOM 305 CG PHE A 21 -4.495 -0.147 0.372 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.282 -0.845 0.262 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.520 -0.644 1.198 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.089 -2.039 0.973 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.308 -1.822 1.933 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.100 -2.529 1.813 1.00 0.00 C ATOM 0 H PHE A 21 -5.330 2.794 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.684 0.579 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.943 1.823 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.672 1.538 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.496 -0.462 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.464 -0.123 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.161 -2.582 0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.079 -2.187 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.950 -3.445 2.365 1.00 0.00 H new ATOM 320 N ALA A 22 -6.878 -0.326 -2.150 1.00 0.00 N ATOM 321 CA ALA A 22 -7.769 -1.486 -2.229 1.00 0.00 C ATOM 322 C ALA A 22 -8.265 -1.709 -3.669 1.00 0.00 C ATOM 323 O ALA A 22 -9.241 -2.424 -3.896 1.00 0.00 O ATOM 324 CB ALA A 22 -8.919 -1.318 -1.235 1.00 0.00 C ATOM 0 H ALA A 22 -7.364 0.558 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.216 -2.384 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.581 -2.182 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.518 -1.238 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.479 -0.414 -1.476 1.00 0.00 H new ATOM 330 N ARG A 23 -7.631 -1.045 -4.637 1.00 0.00 N ATOM 331 CA ARG A 23 -7.768 -1.265 -6.067 1.00 0.00 C ATOM 332 C ARG A 23 -6.353 -1.357 -6.639 1.00 0.00 C ATOM 333 O ARG A 23 -6.029 -0.800 -7.691 1.00 0.00 O ATOM 334 CB ARG A 23 -8.544 -0.107 -6.674 1.00 0.00 C ATOM 335 CG ARG A 23 -9.901 -0.498 -7.233 1.00 0.00 C ATOM 336 CD ARG A 23 -9.871 -1.591 -8.318 1.00 0.00 C ATOM 337 NE ARG A 23 -8.760 -1.477 -9.285 1.00 0.00 N ATOM 338 CZ ARG A 23 -8.650 -0.686 -10.360 1.00 0.00 C ATOM 339 NH1 ARG A 23 -9.551 0.247 -10.638 1.00 0.00 N ATOM 340 NH2 ARG A 23 -7.606 -0.821 -11.164 1.00 0.00 N ATOM 0 H ARG A 23 -6.971 -0.297 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.315 -2.180 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.683 0.662 -5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.948 0.338 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.530 -0.841 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.375 0.391 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.811 -2.564 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.814 -1.566 -8.865 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.963 -2.088 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.356 0.378 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.439 0.834 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.894 -1.523 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.514 -0.223 -11.985 1.00 0.00 H new ATOM 354 N ALA A 24 -5.468 -2.007 -5.901 1.00 0.00 N ATOM 355 CA ALA A 24 -4.103 -2.144 -6.319 1.00 0.00 C ATOM 356 C ALA A 24 -3.892 -3.625 -6.464 1.00 0.00 C ATOM 357 O ALA A 24 -4.403 -4.395 -5.645 1.00 0.00 O ATOM 358 CB ALA A 24 -3.123 -1.572 -5.306 1.00 0.00 C ATOM 0 H ALA A 24 -5.683 -2.447 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.924 -1.593 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.104 -1.702 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.325 -0.510 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.236 -2.093 -4.356 1.00 0.00 H new ATOM 364 N GLU A 25 -3.179 -4.003 -7.504 1.00 0.00 N ATOM 365 CA GLU A 25 -3.074 -5.392 -7.839 1.00 0.00 C ATOM 366 C GLU A 25 -1.886 -5.978 -7.116 1.00 0.00 C ATOM 367 O GLU A 25 -1.996 -6.686 -6.120 1.00 0.00 O ATOM 368 CB GLU A 25 -3.023 -5.530 -9.368 1.00 0.00 C ATOM 369 CG GLU A 25 -4.465 -5.755 -9.797 1.00 0.00 C ATOM 370 CD GLU A 25 -4.659 -5.715 -11.307 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.531 -6.758 -11.991 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.940 -4.610 -11.828 1.00 0.00 O ATOM 0 H GLU A 25 -2.671 -3.369 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.942 -5.963 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.610 -4.634 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.389 -6.364 -9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.802 -6.721 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.096 -4.995 -9.337 1.00 0.00 H new ATOM 379 N TYR A 26 -0.713 -5.644 -7.605 1.00 0.00 N ATOM 380 CA TYR A 26 0.494 -6.203 -7.072 1.00 0.00 C ATOM 381 C TYR A 26 0.857 -5.375 -5.857 1.00 0.00 C ATOM 382 O TYR A 26 0.483 -4.204 -5.758 1.00 0.00 O ATOM 383 CB TYR A 26 1.578 -6.155 -8.152 1.00 0.00 C ATOM 384 CG TYR A 26 1.272 -6.999 -9.374 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.446 -6.479 -10.386 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.827 -8.282 -9.524 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.213 -7.201 -11.563 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.588 -9.022 -10.695 1.00 0.00 C ATOM 389 CZ TYR A 26 0.785 -8.481 -11.722 1.00 0.00 C ATOM 390 OH TYR A 26 0.552 -9.201 -12.849 1.00 0.00 O ATOM 0 H TYR A 26 -0.576 -4.986 -8.372 1.00 0.00 H new ATOM 0 HA TYR A 26 0.380 -7.246 -6.776 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.719 -5.120 -8.464 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.521 -6.489 -7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.014 -5.511 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.438 -8.700 -8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.401 -6.780 -12.345 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.019 -10.006 -10.809 1.00 0.00 H new ATOM 0 HH TYR A 26 1.023 -10.058 -12.793 1.00 0.00 H new ATOM 400 N PHE A 27 1.623 -5.958 -4.949 1.00 0.00 N ATOM 401 CA PHE A 27 2.117 -5.254 -3.789 1.00 0.00 C ATOM 402 C PHE A 27 3.560 -5.608 -3.633 1.00 0.00 C ATOM 403 O PHE A 27 3.907 -6.782 -3.544 1.00 0.00 O ATOM 404 CB PHE A 27 1.346 -5.619 -2.534 1.00 0.00 C ATOM 405 CG PHE A 27 0.026 -4.915 -2.476 1.00 0.00 C ATOM 406 CD1 PHE A 27 -1.092 -5.492 -3.098 1.00 0.00 C ATOM 407 CD2 PHE A 27 -0.065 -3.662 -1.849 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.326 -4.840 -3.052 1.00 0.00 C ATOM 409 CE2 PHE A 27 -1.303 -3.014 -1.792 1.00 0.00 C ATOM 410 CZ PHE A 27 -2.435 -3.622 -2.360 1.00 0.00 C ATOM 0 H PHE A 27 1.917 -6.933 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 27 1.988 -4.181 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.186 -6.697 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.936 -5.360 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.998 -6.438 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.812 -3.204 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.188 -5.267 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.389 -2.050 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.400 -3.148 -2.264 1.00 0.00 H new ATOM 420 N ILE A 28 4.395 -4.594 -3.594 1.00 0.00 N ATOM 421 CA ILE A 28 5.800 -4.749 -3.319 1.00 0.00 C ATOM 422 C ILE A 28 5.899 -4.548 -1.812 1.00 0.00 C ATOM 423 O ILE A 28 5.529 -3.487 -1.319 1.00 0.00 O ATOM 424 CB ILE A 28 6.581 -3.787 -4.232 1.00 0.00 C ATOM 425 CG1 ILE A 28 6.198 -3.940 -5.732 1.00 0.00 C ATOM 426 CG2 ILE A 28 8.077 -4.045 -4.023 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.985 -5.366 -6.249 1.00 0.00 C ATOM 0 H ILE A 28 4.111 -3.628 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 28 6.250 -5.715 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 28 6.325 -2.762 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.283 -3.375 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.980 -3.475 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.654 -3.375 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.335 -3.865 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.307 -5.079 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.723 -5.334 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.902 -5.941 -6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.178 -5.839 -5.690 1.00 0.00 H new ATOM 439 N ILE A 29 6.248 -5.597 -1.068 1.00 0.00 N ATOM 440 CA ILE A 29 6.511 -5.524 0.367 1.00 0.00 C ATOM 441 C ILE A 29 8.013 -5.442 0.487 1.00 0.00 C ATOM 442 O ILE A 29 8.690 -6.397 0.117 1.00 0.00 O ATOM 443 CB ILE A 29 5.937 -6.725 1.157 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.407 -6.583 1.185 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.499 -6.777 2.596 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.683 -7.815 1.737 1.00 0.00 C ATOM 0 H ILE A 29 6.357 -6.536 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 29 6.013 -4.660 0.807 1.00 0.00 H new ATOM 0 HB ILE A 29 6.228 -7.655 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.143 -5.716 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.051 -6.386 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.075 -7.632 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.584 -6.875 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.235 -5.860 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.607 -7.640 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.916 -8.682 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.010 -8.001 2.760 1.00 0.00 H new ATOM 458 N TYR A 30 8.514 -4.309 0.965 1.00 0.00 N ATOM 459 CA TYR A 30 9.912 -4.126 1.323 1.00 0.00 C ATOM 460 C TYR A 30 10.086 -4.466 2.804 1.00 0.00 C ATOM 461 O TYR A 30 9.145 -4.324 3.585 1.00 0.00 O ATOM 462 CB TYR A 30 10.281 -2.665 1.023 1.00 0.00 C ATOM 463 CG TYR A 30 11.758 -2.359 1.056 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.564 -2.767 -0.017 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.323 -1.640 2.124 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.936 -2.473 -0.030 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.707 -1.378 2.138 1.00 0.00 C ATOM 468 CZ TYR A 30 14.519 -1.787 1.057 1.00 0.00 C ATOM 469 OH TYR A 30 15.853 -1.513 1.066 1.00 0.00 O ATOM 0 H TYR A 30 7.946 -3.475 1.117 1.00 0.00 H new ATOM 0 HA TYR A 30 10.571 -4.780 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.893 -2.403 0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.776 -2.023 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.125 -3.312 -0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.697 -1.289 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.545 -2.771 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.149 -0.863 2.978 1.00 0.00 H new ATOM 0 HH TYR A 30 16.083 -1.035 1.890 1.00 0.00 H new ATOM 479 N ASP A 31 11.278 -4.879 3.217 1.00 0.00 N ATOM 480 CA ASP A 31 11.630 -5.309 4.570 1.00 0.00 C ATOM 481 C ASP A 31 12.811 -4.495 5.110 1.00 0.00 C ATOM 482 O ASP A 31 13.945 -4.716 4.673 1.00 0.00 O ATOM 483 CB ASP A 31 11.971 -6.808 4.511 1.00 0.00 C ATOM 484 CG ASP A 31 11.932 -7.478 5.877 1.00 0.00 C ATOM 485 OD1 ASP A 31 12.365 -6.856 6.867 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.447 -8.635 5.944 1.00 0.00 O ATOM 0 H ASP A 31 12.074 -4.927 2.581 1.00 0.00 H new ATOM 0 HA ASP A 31 10.794 -5.143 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.268 -7.309 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.964 -6.933 4.079 1.00 0.00 H new ATOM 491 N THR A 32 12.608 -3.556 6.046 1.00 0.00 N ATOM 492 CA THR A 32 13.705 -2.717 6.551 1.00 0.00 C ATOM 493 C THR A 32 14.533 -3.431 7.633 1.00 0.00 C ATOM 494 O THR A 32 15.039 -2.797 8.565 1.00 0.00 O ATOM 495 CB THR A 32 13.215 -1.311 6.958 1.00 0.00 C ATOM 496 OG1 THR A 32 12.223 -1.374 7.956 1.00 0.00 O ATOM 497 CG2 THR A 32 12.668 -0.517 5.770 1.00 0.00 C ATOM 0 H THR A 32 11.700 -3.359 6.467 1.00 0.00 H new ATOM 0 HA THR A 32 14.399 -2.553 5.727 1.00 0.00 H new ATOM 0 HB THR A 32 14.093 -0.796 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.937 -0.467 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.337 0.464 6.110 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.451 -0.396 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.826 -1.052 5.331 1.00 0.00 H new ATOM 505 N GLU A 33 14.732 -4.741 7.487 1.00 0.00 N ATOM 506 CA GLU A 33 15.740 -5.513 8.203 1.00 0.00 C ATOM 507 C GLU A 33 16.852 -5.837 7.280 1.00 0.00 C ATOM 508 O GLU A 33 17.961 -5.362 7.531 1.00 0.00 O ATOM 509 CB GLU A 33 15.199 -6.800 8.831 1.00 0.00 C ATOM 510 CG GLU A 33 14.697 -6.617 10.261 1.00 0.00 C ATOM 511 CD GLU A 33 14.201 -7.954 10.800 1.00 0.00 C ATOM 512 OE1 GLU A 33 13.120 -8.424 10.364 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.885 -8.533 11.671 1.00 0.00 O ATOM 0 H GLU A 33 14.177 -5.309 6.847 1.00 0.00 H new ATOM 0 HA GLU A 33 16.085 -4.891 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.385 -7.181 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.984 -7.556 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.498 -6.233 10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.892 -5.882 10.284 1.00 0.00 H new ATOM 520 N SER A 34 16.575 -6.623 6.246 1.00 0.00 N ATOM 521 CA SER A 34 17.637 -6.941 5.332 1.00 0.00 C ATOM 522 C SER A 34 17.258 -6.562 3.897 1.00 0.00 C ATOM 523 O SER A 34 17.615 -7.265 2.952 1.00 0.00 O ATOM 524 CB SER A 34 17.997 -8.426 5.513 1.00 0.00 C ATOM 525 OG SER A 34 18.507 -8.704 6.811 1.00 0.00 O ATOM 0 H SER A 34 15.664 -7.030 6.034 1.00 0.00 H new ATOM 0 HA SER A 34 18.529 -6.353 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.112 -9.036 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.737 -8.712 4.766 1.00 0.00 H new ATOM 0 HG SER A 34 18.720 -9.658 6.881 1.00 0.00 H new ATOM 531 N GLY A 35 16.561 -5.430 3.725 1.00 0.00 N ATOM 532 CA GLY A 35 16.276 -4.781 2.448 1.00 0.00 C ATOM 533 C GLY A 35 15.533 -5.672 1.457 1.00 0.00 C ATOM 534 O GLY A 35 15.524 -5.382 0.261 1.00 0.00 O ATOM 0 H GLY A 35 16.163 -4.921 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.684 -3.884 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.215 -4.457 1.998 1.00 0.00 H new ATOM 538 N ASN A 36 14.963 -6.776 1.942 1.00 0.00 N ATOM 539 CA ASN A 36 14.341 -7.794 1.117 1.00 0.00 C ATOM 540 C ASN A 36 13.074 -7.229 0.506 1.00 0.00 C ATOM 541 O ASN A 36 12.489 -6.276 1.028 1.00 0.00 O ATOM 542 CB ASN A 36 14.010 -9.036 1.955 1.00 0.00 C ATOM 543 CG ASN A 36 14.966 -10.190 1.716 1.00 0.00 C ATOM 544 OD1 ASN A 36 14.522 -11.239 1.260 1.00 0.00 O ATOM 545 ND2 ASN A 36 16.253 -10.044 1.971 1.00 0.00 N ATOM 0 H ASN A 36 14.924 -6.985 2.940 1.00 0.00 H new ATOM 0 HA ASN A 36 15.032 -8.088 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.030 -8.769 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.995 -9.360 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.899 -10.812 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.601 -9.163 2.350 1.00 0.00 H new ATOM 552 N VAL A 37 12.617 -7.867 -0.566 1.00 0.00 N ATOM 553 CA VAL A 37 11.392 -7.474 -1.236 1.00 0.00 C ATOM 554 C VAL A 37 10.650 -8.696 -1.761 1.00 0.00 C ATOM 555 O VAL A 37 11.271 -9.673 -2.192 1.00 0.00 O ATOM 556 CB VAL A 37 11.628 -6.439 -2.360 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.469 -5.440 -2.345 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.937 -5.642 -2.299 1.00 0.00 C ATOM 0 H VAL A 37 13.086 -8.667 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 37 10.769 -6.980 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 37 11.695 -7.030 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.616 -4.700 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.531 -5.968 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.433 -4.939 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.982 -4.952 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.977 -5.080 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.783 -6.328 -2.346 1.00 0.00 H new ATOM 568 N GLU A 38 9.324 -8.618 -1.783 1.00 0.00 N ATOM 569 CA GLU A 38 8.413 -9.639 -2.267 1.00 0.00 C ATOM 570 C GLU A 38 7.446 -8.945 -3.221 1.00 0.00 C ATOM 571 O GLU A 38 6.964 -7.861 -2.885 1.00 0.00 O ATOM 572 CB GLU A 38 7.691 -10.225 -1.041 1.00 0.00 C ATOM 573 CG GLU A 38 6.385 -10.970 -1.337 1.00 0.00 C ATOM 574 CD GLU A 38 6.558 -12.324 -2.002 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.983 -12.392 -3.182 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.133 -13.301 -1.348 1.00 0.00 O ATOM 0 H GLU A 38 8.832 -7.792 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 38 8.910 -10.452 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.371 -10.908 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.476 -9.414 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.842 -11.107 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.764 -10.344 -1.977 1.00 0.00 H new ATOM 583 N VAL A 39 7.091 -9.593 -4.334 1.00 0.00 N ATOM 584 CA VAL A 39 5.959 -9.205 -5.166 1.00 0.00 C ATOM 585 C VAL A 39 4.803 -10.112 -4.749 1.00 0.00 C ATOM 586 O VAL A 39 4.800 -11.307 -5.047 1.00 0.00 O ATOM 587 CB VAL A 39 6.234 -9.367 -6.679 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.033 -8.858 -7.493 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.506 -8.677 -7.190 1.00 0.00 C ATOM 0 H VAL A 39 7.590 -10.411 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 39 5.742 -8.147 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 39 6.391 -10.436 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.238 -8.977 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.145 -9.431 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.864 -7.804 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.608 -8.850 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.440 -7.606 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.374 -9.085 -6.672 1.00 0.00 H new ATOM 599 N VAL A 40 3.816 -9.541 -4.081 1.00 0.00 N ATOM 600 CA VAL A 40 2.487 -10.102 -3.974 1.00 0.00 C ATOM 601 C VAL A 40 1.788 -9.762 -5.287 1.00 0.00 C ATOM 602 O VAL A 40 1.980 -8.681 -5.844 1.00 0.00 O ATOM 603 CB VAL A 40 1.800 -9.497 -2.731 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.273 -9.364 -2.823 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.142 -10.318 -1.483 1.00 0.00 C ATOM 0 H VAL A 40 3.922 -8.654 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 40 2.470 -11.183 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 40 2.194 -8.482 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.111 -8.929 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.014 -8.720 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.170 -10.349 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.651 -9.880 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.797 -11.343 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.221 -10.315 -1.330 1.00 0.00 H new ATOM 615 N GLU A 41 0.951 -10.681 -5.736 1.00 0.00 N ATOM 616 CA GLU A 41 0.045 -10.588 -6.857 1.00 0.00 C ATOM 617 C GLU A 41 -1.321 -10.718 -6.201 1.00 0.00 C ATOM 618 O GLU A 41 -1.647 -11.772 -5.650 1.00 0.00 O ATOM 619 CB GLU A 41 0.365 -11.744 -7.808 1.00 0.00 C ATOM 620 CG GLU A 41 -0.498 -11.794 -9.061 1.00 0.00 C ATOM 621 CD GLU A 41 -0.364 -13.171 -9.699 1.00 0.00 C ATOM 622 OE1 GLU A 41 0.768 -13.565 -10.065 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.394 -13.890 -9.764 1.00 0.00 O ATOM 0 H GLU A 41 0.886 -11.592 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 41 0.107 -9.675 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.411 -11.672 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.251 -12.684 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.540 -11.595 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.187 -11.021 -9.764 1.00 0.00 H new ATOM 630 N ASN A 42 -2.067 -9.627 -6.120 1.00 0.00 N ATOM 631 CA ASN A 42 -3.364 -9.562 -5.472 1.00 0.00 C ATOM 632 C ASN A 42 -4.296 -9.183 -6.610 1.00 0.00 C ATOM 633 O ASN A 42 -4.192 -8.092 -7.150 1.00 0.00 O ATOM 634 CB ASN A 42 -3.310 -8.574 -4.279 1.00 0.00 C ATOM 635 CG ASN A 42 -3.787 -9.209 -2.969 1.00 0.00 C ATOM 636 OD1 ASN A 42 -4.904 -9.688 -2.845 1.00 0.00 O ATOM 637 ND2 ASN A 42 -2.941 -9.254 -1.951 1.00 0.00 N ATOM 0 H ASN A 42 -1.775 -8.734 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.709 -10.485 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.288 -8.216 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.928 -7.704 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.224 -9.686 -1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.007 -8.856 -2.046 1.00 0.00 H new ATOM 754 N PRO A 52 -11.429 -8.321 3.680 1.00 0.00 N ATOM 755 CA PRO A 52 -10.329 -7.559 3.119 1.00 0.00 C ATOM 756 C PRO A 52 -9.646 -8.255 1.956 1.00 0.00 C ATOM 757 O PRO A 52 -9.372 -7.575 0.968 1.00 0.00 O ATOM 758 CB PRO A 52 -9.372 -7.314 4.277 1.00 0.00 C ATOM 759 CG PRO A 52 -9.610 -8.479 5.227 1.00 0.00 C ATOM 760 CD PRO A 52 -11.073 -8.860 4.986 1.00 0.00 C ATOM 0 HA PRO A 52 -10.692 -6.627 2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.337 -7.286 3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.574 -6.359 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.940 -9.312 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.438 -8.190 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.201 -9.942 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.715 -8.448 5.764 1.00 0.00 H new ATOM 768 N LYS A 53 -9.333 -9.557 2.058 1.00 0.00 N ATOM 769 CA LYS A 53 -8.482 -10.295 1.115 1.00 0.00 C ATOM 770 C LYS A 53 -7.081 -9.690 1.065 1.00 0.00 C ATOM 771 O LYS A 53 -6.158 -10.293 1.604 1.00 0.00 O ATOM 772 CB LYS A 53 -9.207 -10.436 -0.241 1.00 0.00 C ATOM 773 CG LYS A 53 -8.376 -10.510 -1.534 1.00 0.00 C ATOM 774 CD LYS A 53 -9.287 -10.314 -2.749 1.00 0.00 C ATOM 775 CE LYS A 53 -9.903 -8.897 -2.795 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.097 -8.857 -3.657 1.00 0.00 N ATOM 0 H LYS A 53 -9.676 -10.140 2.821 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.316 -11.317 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.820 -11.336 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.889 -9.591 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.600 -9.744 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.872 -11.474 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.716 -10.490 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.086 -11.055 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.170 -8.582 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.162 -8.188 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.486 -7.893 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.836 -9.134 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.813 -9.516 -3.289 1.00 0.00 H new ATOM 790 N VAL A 54 -6.916 -8.507 0.482 1.00 0.00 N ATOM 791 CA VAL A 54 -5.653 -7.825 0.284 1.00 0.00 C ATOM 792 C VAL A 54 -5.040 -7.461 1.629 1.00 0.00 C ATOM 793 O VAL A 54 -3.870 -7.724 1.868 1.00 0.00 O ATOM 794 CB VAL A 54 -5.881 -6.614 -0.651 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.792 -5.488 -0.131 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.555 -5.979 -1.055 1.00 0.00 C ATOM 0 H VAL A 54 -7.706 -7.974 0.117 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.927 -8.474 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.408 -7.067 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.866 -4.703 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.785 -5.889 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.371 -5.074 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.743 -5.130 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.028 -5.638 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.944 -6.714 -1.578 1.00 0.00 H new ATOM 806 N VAL A 55 -5.829 -6.884 2.532 1.00 0.00 N ATOM 807 CA VAL A 55 -5.358 -6.539 3.864 1.00 0.00 C ATOM 808 C VAL A 55 -5.002 -7.837 4.569 1.00 0.00 C ATOM 809 O VAL A 55 -3.824 -7.984 4.868 1.00 0.00 O ATOM 810 CB VAL A 55 -6.327 -5.576 4.590 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.533 -4.644 5.506 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.116 -4.695 3.593 1.00 0.00 C ATOM 0 H VAL A 55 -6.806 -6.645 2.360 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.446 -5.942 3.842 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.027 -6.189 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.217 -3.966 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.990 -5.235 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.826 -4.066 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.785 -4.033 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.419 -4.099 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.701 -5.331 2.929 1.00 0.00 H new ATOM 822 N GLN A 56 -5.923 -8.809 4.656 1.00 0.00 N ATOM 823 CA GLN A 56 -5.676 -10.101 5.292 1.00 0.00 C ATOM 824 C GLN A 56 -4.333 -10.704 4.838 1.00 0.00 C ATOM 825 O GLN A 56 -3.530 -11.128 5.667 1.00 0.00 O ATOM 826 CB GLN A 56 -6.836 -11.090 5.064 1.00 0.00 C ATOM 827 CG GLN A 56 -7.815 -11.173 6.252 1.00 0.00 C ATOM 828 CD GLN A 56 -7.335 -12.053 7.400 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.250 -11.865 7.946 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.154 -12.997 7.825 1.00 0.00 N ATOM 0 H GLN A 56 -6.867 -8.714 4.282 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.615 -9.919 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.385 -10.794 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.426 -12.081 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.994 -10.167 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.772 -11.553 5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.051 -13.141 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.890 -13.583 8.617 1.00 0.00 H new ATOM 839 N SER A 57 -4.056 -10.715 3.525 1.00 0.00 N ATOM 840 CA SER A 57 -2.790 -11.201 2.978 1.00 0.00 C ATOM 841 C SER A 57 -1.609 -10.396 3.482 1.00 0.00 C ATOM 842 O SER A 57 -0.771 -10.940 4.193 1.00 0.00 O ATOM 843 CB SER A 57 -2.770 -11.281 1.435 1.00 0.00 C ATOM 844 OG SER A 57 -3.631 -10.385 0.764 1.00 0.00 O ATOM 0 H SER A 57 -4.709 -10.385 2.814 1.00 0.00 H new ATOM 0 HA SER A 57 -2.697 -12.223 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.751 -11.101 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.031 -12.297 1.139 1.00 0.00 H new ATOM 0 HG SER A 57 -4.561 -10.659 0.903 1.00 0.00 H new ATOM 850 N LEU A 58 -1.515 -9.129 3.088 1.00 0.00 N ATOM 851 CA LEU A 58 -0.382 -8.259 3.373 1.00 0.00 C ATOM 852 C LEU A 58 -0.058 -8.262 4.874 1.00 0.00 C ATOM 853 O LEU A 58 1.106 -8.342 5.260 1.00 0.00 O ATOM 854 CB LEU A 58 -0.698 -6.843 2.868 1.00 0.00 C ATOM 855 CG LEU A 58 -0.948 -6.712 1.351 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.524 -5.327 1.034 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.305 -6.948 0.514 1.00 0.00 C ATOM 0 H LEU A 58 -2.246 -8.668 2.547 1.00 0.00 H new ATOM 0 HA LEU A 58 0.503 -8.628 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.579 -6.478 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.130 -6.188 3.139 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.662 -7.491 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.698 -5.242 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.466 -5.194 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.818 -4.559 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.062 -6.841 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.067 -6.218 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.683 -7.953 0.700 1.00 0.00 H new ATOM 869 N VAL A 59 -1.087 -8.227 5.714 1.00 0.00 N ATOM 870 CA VAL A 59 -1.021 -8.292 7.168 1.00 0.00 C ATOM 871 C VAL A 59 -0.492 -9.648 7.645 1.00 0.00 C ATOM 872 O VAL A 59 0.385 -9.707 8.507 1.00 0.00 O ATOM 873 CB VAL A 59 -2.440 -7.978 7.677 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.718 -8.378 9.130 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.662 -6.462 7.536 1.00 0.00 C ATOM 0 H VAL A 59 -2.046 -8.148 5.377 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.314 -7.568 7.573 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.124 -8.575 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.743 -8.114 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.580 -9.453 9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.029 -7.851 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.661 -6.206 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.920 -5.929 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.563 -6.176 6.489 1.00 0.00 H new ATOM 885 N SER A 60 -0.922 -10.751 7.030 1.00 0.00 N ATOM 886 CA SER A 60 -0.339 -12.062 7.292 1.00 0.00 C ATOM 887 C SER A 60 1.118 -12.141 6.816 1.00 0.00 C ATOM 888 O SER A 60 1.768 -13.163 7.033 1.00 0.00 O ATOM 889 CB SER A 60 -1.179 -13.172 6.654 1.00 0.00 C ATOM 890 OG SER A 60 -2.521 -13.119 7.094 1.00 0.00 O ATOM 0 H SER A 60 -1.676 -10.759 6.344 1.00 0.00 H new ATOM 0 HA SER A 60 -0.340 -12.208 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.146 -13.077 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.751 -14.143 6.902 1.00 0.00 H new ATOM 0 HG SER A 60 -3.028 -12.503 6.524 1.00 0.00 H new ATOM 896 N LYS A 61 1.659 -11.096 6.173 1.00 0.00 N ATOM 897 CA LYS A 61 3.076 -11.008 5.846 1.00 0.00 C ATOM 898 C LYS A 61 3.669 -9.773 6.541 1.00 0.00 C ATOM 899 O LYS A 61 4.632 -9.192 6.036 1.00 0.00 O ATOM 900 CB LYS A 61 3.299 -11.060 4.310 1.00 0.00 C ATOM 901 CG LYS A 61 2.109 -11.561 3.466 1.00 0.00 C ATOM 902 CD LYS A 61 2.369 -12.339 2.179 1.00 0.00 C ATOM 903 CE LYS A 61 3.548 -11.870 1.314 1.00 0.00 C ATOM 904 NZ LYS A 61 3.854 -12.862 0.258 1.00 0.00 N ATOM 0 H LYS A 61 1.117 -10.288 5.867 1.00 0.00 H new ATOM 0 HA LYS A 61 3.617 -11.874 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.564 -10.060 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.156 -11.703 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.496 -12.192 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.506 -10.691 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.534 -13.384 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.465 -12.302 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.310 -10.909 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.426 -11.717 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.882 -12.899 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.514 -13.799 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.381 -12.585 -0.626 1.00 0.00 H new ATOM 918 N GLY A 62 3.215 -9.483 7.765 1.00 0.00 N ATOM 919 CA GLY A 62 3.864 -8.632 8.752 1.00 0.00 C ATOM 920 C GLY A 62 3.978 -7.154 8.393 1.00 0.00 C ATOM 921 O GLY A 62 4.858 -6.470 8.919 1.00 0.00 O ATOM 0 H GLY A 62 2.332 -9.862 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.316 -8.716 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.867 -9.019 8.933 1.00 0.00 H new ATOM 925 N VAL A 63 3.148 -6.664 7.476 1.00 0.00 N ATOM 926 CA VAL A 63 3.169 -5.287 7.005 1.00 0.00 C ATOM 927 C VAL A 63 2.727 -4.340 8.136 1.00 0.00 C ATOM 928 O VAL A 63 1.622 -4.452 8.655 1.00 0.00 O ATOM 929 CB VAL A 63 2.316 -5.225 5.725 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.029 -3.804 5.248 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.051 -5.940 4.578 1.00 0.00 C ATOM 0 H VAL A 63 2.425 -7.230 7.031 1.00 0.00 H new ATOM 0 HA VAL A 63 4.170 -4.947 6.740 1.00 0.00 H new ATOM 0 HB VAL A 63 1.370 -5.703 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.424 -3.840 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.489 -3.262 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.969 -3.294 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.445 -5.895 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.008 -5.451 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.221 -6.982 4.849 1.00 0.00 H new ATOM 941 N GLU A 64 3.570 -3.372 8.495 1.00 0.00 N ATOM 942 CA GLU A 64 3.389 -2.404 9.577 1.00 0.00 C ATOM 943 C GLU A 64 3.495 -0.970 9.022 1.00 0.00 C ATOM 944 O GLU A 64 3.869 -0.032 9.731 1.00 0.00 O ATOM 945 CB GLU A 64 4.575 -2.654 10.537 1.00 0.00 C ATOM 946 CG GLU A 64 4.350 -3.797 11.530 1.00 0.00 C ATOM 947 CD GLU A 64 3.875 -3.253 12.878 1.00 0.00 C ATOM 948 OE1 GLU A 64 4.677 -2.565 13.557 1.00 0.00 O ATOM 949 OE2 GLU A 64 2.726 -3.525 13.284 1.00 0.00 O ATOM 0 H GLU A 64 4.455 -3.234 8.006 1.00 0.00 H new ATOM 0 HA GLU A 64 2.418 -2.512 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.466 -2.871 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.776 -1.739 11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.611 -4.492 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.275 -4.357 11.664 1.00 0.00 H new ATOM 956 N TYR A 65 3.007 -0.737 7.804 1.00 0.00 N ATOM 957 CA TYR A 65 3.196 0.471 7.029 1.00 0.00 C ATOM 958 C TYR A 65 2.450 0.285 5.703 1.00 0.00 C ATOM 959 O TYR A 65 1.908 -0.791 5.434 1.00 0.00 O ATOM 960 CB TYR A 65 4.670 0.686 6.717 1.00 0.00 C ATOM 961 CG TYR A 65 5.478 1.493 7.700 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.089 2.793 8.078 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.675 0.953 8.179 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.858 3.513 9.012 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.450 1.666 9.100 1.00 0.00 C ATOM 966 CZ TYR A 65 7.028 2.931 9.548 1.00 0.00 C ATOM 967 OH TYR A 65 7.738 3.566 10.518 1.00 0.00 O ATOM 0 H TYR A 65 2.440 -1.428 7.313 1.00 0.00 H new ATOM 0 HA TYR A 65 2.826 1.328 7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.139 -0.293 6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.741 1.172 5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.202 3.237 7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.003 -0.018 7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.555 4.504 9.317 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.374 1.245 9.468 1.00 0.00 H new ATOM 0 HH TYR A 65 8.512 3.019 10.768 1.00 0.00 H new ATOM 977 N LEU A 66 2.428 1.308 4.851 1.00 0.00 N ATOM 978 CA LEU A 66 1.892 1.292 3.497 1.00 0.00 C ATOM 979 C LEU A 66 2.158 2.654 2.873 1.00 0.00 C ATOM 980 O LEU A 66 2.105 3.653 3.580 1.00 0.00 O ATOM 981 CB LEU A 66 0.381 1.052 3.581 1.00 0.00 C ATOM 982 CG LEU A 66 -0.470 1.440 2.372 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.160 0.719 1.050 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.956 1.194 2.639 1.00 0.00 C ATOM 0 H LEU A 66 2.806 2.221 5.104 1.00 0.00 H new ATOM 0 HA LEU A 66 2.355 0.509 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.221 -0.008 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.003 1.597 4.446 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.216 2.493 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.831 1.082 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.872 0.917 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.301 -0.354 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.536 1.479 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.117 0.137 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.276 1.790 3.494 1.00 0.00 H new ATOM 996 N ILE A 67 2.311 2.712 1.554 1.00 0.00 N ATOM 997 CA ILE A 67 2.462 3.917 0.754 1.00 0.00 C ATOM 998 C ILE A 67 1.351 3.917 -0.296 1.00 0.00 C ATOM 999 O ILE A 67 1.426 3.118 -1.217 1.00 0.00 O ATOM 1000 CB ILE A 67 3.882 3.876 0.136 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.954 3.985 1.251 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.112 5.065 -0.804 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.352 3.521 0.858 1.00 0.00 C ATOM 0 H ILE A 67 2.334 1.867 0.983 1.00 0.00 H new ATOM 0 HA ILE A 67 2.369 4.837 1.331 1.00 0.00 H new ATOM 0 HB ILE A 67 3.963 2.935 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.012 5.024 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.623 3.400 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.117 5.009 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.381 5.037 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.002 5.996 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.026 3.638 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.318 2.472 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.713 4.121 0.023 1.00 0.00 H new ATOM 1015 N ALA A 68 0.298 4.734 -0.176 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.806 4.753 -1.139 1.00 0.00 C ATOM 1017 C ALA A 68 -1.455 6.130 -1.173 1.00 0.00 C ATOM 1018 O ALA A 68 -1.787 6.685 -0.133 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.885 3.745 -0.734 1.00 0.00 C ATOM 0 H ALA A 68 0.189 5.399 0.590 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.396 4.500 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.698 3.771 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.455 2.744 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.271 4.002 0.253 1.00 0.00 H new ATOM 1025 N SER A 69 -1.753 6.659 -2.351 1.00 0.00 N ATOM 1026 CA SER A 69 -2.314 8.014 -2.434 1.00 0.00 C ATOM 1027 C SER A 69 -3.700 8.132 -1.777 1.00 0.00 C ATOM 1028 O SER A 69 -4.080 9.215 -1.321 1.00 0.00 O ATOM 1029 CB SER A 69 -2.365 8.475 -3.888 1.00 0.00 C ATOM 1030 OG SER A 69 -3.233 7.658 -4.626 1.00 0.00 O ATOM 0 H SER A 69 -1.622 6.190 -3.247 1.00 0.00 H new ATOM 0 HA SER A 69 -1.649 8.668 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.700 9.511 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.366 8.442 -4.323 1.00 0.00 H new ATOM 0 HG SER A 69 -3.543 8.143 -5.419 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.461 7.030 -1.728 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.804 6.944 -1.175 1.00 0.00 C ATOM 1038 C ASN A 70 -6.178 5.464 -1.060 1.00 0.00 C ATOM 1039 O ASN A 70 -5.393 4.587 -1.440 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.818 7.611 -2.131 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.998 8.189 -1.358 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -7.842 8.697 -0.254 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -9.206 8.075 -1.875 1.00 0.00 N ATOM 0 H ASN A 70 -4.134 6.135 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.828 7.443 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.325 8.403 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.176 6.879 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.017 8.411 -1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.329 7.651 -2.795 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.416 5.164 -0.661 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.929 3.806 -0.551 1.00 0.00 C ATOM 1052 C VAL A 71 -9.070 3.595 -1.553 1.00 0.00 C ATOM 1053 O VAL A 71 -9.786 4.531 -1.902 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.293 3.531 0.927 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.724 3.848 1.341 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.076 2.072 1.288 1.00 0.00 C ATOM 0 H VAL A 71 -8.099 5.875 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.177 3.065 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.627 4.213 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.858 3.614 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.925 4.907 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.415 3.251 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.341 1.912 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.702 1.443 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.029 1.811 1.135 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.268 2.344 -1.972 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.370 1.866 -2.812 1.00 0.00 C ATOM 1068 C GLY A 72 -11.666 1.673 -2.001 1.00 0.00 C ATOM 1069 O GLY A 72 -12.425 0.749 -2.291 1.00 0.00 O ATOM 0 H GLY A 72 -8.626 1.592 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.548 2.578 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.089 0.922 -3.278 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.866 2.445 -0.917 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.780 2.162 0.206 1.00 0.00 C ATOM 1075 C ARG A 73 -12.557 0.752 0.771 1.00 0.00 C ATOM 1076 O ARG A 73 -11.560 0.115 0.426 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.240 2.508 -0.167 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.517 4.020 -0.036 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.019 4.362 -0.027 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.287 5.680 0.584 1.00 0.00 N ATOM 1081 CZ ARG A 73 -16.248 5.982 1.892 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -16.106 5.023 2.806 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -16.350 7.242 2.283 1.00 0.00 N ATOM 0 H ARG A 73 -11.370 3.328 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.544 2.823 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.440 2.188 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.922 1.955 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.061 4.388 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.036 4.544 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.398 4.353 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.562 3.592 0.521 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.526 6.439 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.026 4.049 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.078 5.263 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.458 7.984 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.320 7.472 3.276 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.434 0.312 1.685 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.443 -0.953 2.425 1.00 0.00 C ATOM 1099 C ASN A 74 -12.041 -1.546 2.566 1.00 0.00 C ATOM 1100 O ASN A 74 -11.683 -2.460 1.826 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.476 -1.931 1.820 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.134 -2.781 2.905 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.880 -2.243 3.723 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -14.889 -4.078 2.946 1.00 0.00 N ATOM 0 H ASN A 74 -14.231 0.891 1.948 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.767 -0.753 3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.239 -1.370 1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.985 -2.579 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.322 -4.656 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.267 -4.502 2.257 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.216 -0.977 3.451 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.831 -1.369 3.705 1.00 0.00 C ATOM 1113 C ALA A 75 -9.171 -0.505 4.783 1.00 0.00 C ATOM 1114 O ALA A 75 -8.393 -1.031 5.570 1.00 0.00 O ATOM 1115 CB ALA A 75 -9.016 -1.210 2.419 1.00 0.00 C ATOM 0 H ALA A 75 -11.512 -0.195 4.035 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.849 -2.404 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.982 -1.502 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.438 -1.845 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.047 -0.170 2.095 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.415 0.812 4.802 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.717 1.749 5.693 1.00 0.00 C ATOM 1123 C PHE A 76 -8.856 1.360 7.151 1.00 0.00 C ATOM 1124 O PHE A 76 -7.909 1.569 7.906 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.235 3.171 5.443 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.900 4.281 6.442 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -9.510 4.335 7.715 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -8.037 5.333 6.069 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -9.318 5.445 8.553 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -7.814 6.425 6.931 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.460 6.481 8.173 1.00 0.00 C ATOM 0 H PHE A 76 -10.104 1.259 4.198 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.652 1.711 5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.865 3.487 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.321 3.115 5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.130 3.515 8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.541 5.301 5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.837 5.499 9.498 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.145 7.219 6.634 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.296 7.320 8.833 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.005 0.825 7.548 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.253 0.388 8.910 1.00 0.00 C ATOM 1143 C GLU A 77 -9.461 -0.884 9.203 1.00 0.00 C ATOM 1144 O GLU A 77 -8.838 -1.019 10.253 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.734 0.097 9.093 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.631 1.322 8.897 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.076 0.864 9.011 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.552 0.715 10.158 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.707 0.569 7.973 1.00 0.00 O ATOM 0 H GLU A 77 -10.798 0.682 6.923 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.942 1.178 9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.033 -0.678 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.895 -0.304 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.411 2.081 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.450 1.776 7.923 1.00 0.00 H new ATOM 1156 N THR A 78 -9.404 -1.803 8.244 1.00 0.00 N ATOM 1157 CA THR A 78 -8.681 -3.053 8.388 1.00 0.00 C ATOM 1158 C THR A 78 -7.163 -2.797 8.435 1.00 0.00 C ATOM 1159 O THR A 78 -6.406 -3.656 8.883 1.00 0.00 O ATOM 1160 CB THR A 78 -9.099 -4.013 7.251 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.321 -3.633 6.627 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.310 -5.425 7.795 1.00 0.00 C ATOM 0 H THR A 78 -9.863 -1.696 7.340 1.00 0.00 H new ATOM 0 HA THR A 78 -8.936 -3.531 9.334 1.00 0.00 H new ATOM 0 HB THR A 78 -8.289 -3.973 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.537 -4.271 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.604 -6.088 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.383 -5.786 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.094 -5.410 8.552 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.699 -1.603 8.035 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.304 -1.207 8.153 1.00 0.00 C ATOM 1172 C LEU A 79 -5.036 -0.867 9.615 1.00 0.00 C ATOM 1173 O LEU A 79 -4.103 -1.374 10.219 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.985 -0.054 7.163 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.968 -0.513 5.680 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.908 0.643 4.666 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.759 -1.417 5.420 1.00 0.00 C ATOM 0 H LEU A 79 -7.293 -0.886 7.619 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.630 -2.016 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.726 0.736 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.016 0.376 7.415 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.911 -1.040 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.899 0.239 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.780 1.284 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.002 1.226 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.758 -1.732 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.842 -0.868 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.816 -2.294 6.064 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.899 -0.073 10.235 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.818 0.235 11.655 1.00 0.00 C ATOM 1191 C LYS A 80 -6.088 -0.973 12.546 1.00 0.00 C ATOM 1192 O LYS A 80 -5.534 -1.021 13.644 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.667 1.444 12.031 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.839 1.846 11.150 1.00 0.00 C ATOM 1195 CD LYS A 80 -7.714 3.290 10.652 1.00 0.00 C ATOM 1196 CE LYS A 80 -6.372 3.524 9.926 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.488 4.004 8.543 1.00 0.00 N ATOM 0 H LYS A 80 -6.681 0.379 9.762 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.781 0.512 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.058 1.268 13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.999 2.303 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.898 1.172 10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.768 1.734 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.539 3.515 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.797 3.975 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.789 4.246 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.810 2.590 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.632 4.536 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.596 3.192 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.319 4.624 8.459 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.846 -1.969 12.082 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.027 -3.221 12.807 1.00 0.00 C ATOM 1213 C ALA A 81 -5.671 -3.838 13.170 1.00 0.00 C ATOM 1214 O ALA A 81 -5.502 -4.289 14.303 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.884 -4.203 12.002 1.00 0.00 C ATOM 0 H ALA A 81 -7.349 -1.927 11.195 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.557 -3.003 13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.003 -5.128 12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.864 -3.763 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.396 -4.418 11.051 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.691 -3.787 12.259 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.345 -4.287 12.513 1.00 0.00 C ATOM 1223 C ALA A 82 -2.345 -3.133 12.697 1.00 0.00 C ATOM 1224 O ALA A 82 -1.175 -3.258 12.358 1.00 0.00 O ATOM 1225 CB ALA A 82 -2.987 -5.148 11.292 1.00 0.00 C ATOM 0 H ALA A 82 -4.815 -3.396 11.325 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.302 -4.866 13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.984 -5.557 11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.703 -5.965 11.200 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.019 -4.534 10.392 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.770 -2.038 13.328 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.950 -0.870 13.635 1.00 0.00 C ATOM 1233 C GLY A 83 -1.192 -0.215 12.475 1.00 0.00 C ATOM 1234 O GLY A 83 -0.321 0.623 12.712 1.00 0.00 O ATOM 0 H GLY A 83 -3.732 -1.938 13.651 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.595 -0.115 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.222 -1.160 14.392 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.529 -0.494 11.220 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.641 -0.287 10.084 1.00 0.00 C ATOM 1240 C VAL A 84 -0.639 1.195 9.689 1.00 0.00 C ATOM 1241 O VAL A 84 -1.699 1.815 9.551 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.081 -1.241 8.948 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.032 -1.354 7.849 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.324 -2.678 9.413 1.00 0.00 C ATOM 0 H VAL A 84 -2.439 -0.875 10.961 1.00 0.00 H new ATOM 0 HA VAL A 84 0.393 -0.528 10.329 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.006 -0.790 8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.388 -2.034 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.146 -0.371 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.897 -1.738 8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.629 -3.289 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.406 -3.083 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.110 -2.688 10.168 1.00 0.00 H new ATOM 1254 N LYS A 85 0.553 1.804 9.604 1.00 0.00 N ATOM 1255 CA LYS A 85 0.711 3.230 9.304 1.00 0.00 C ATOM 1256 C LYS A 85 0.562 3.425 7.794 1.00 0.00 C ATOM 1257 O LYS A 85 1.174 2.687 7.034 1.00 0.00 O ATOM 1258 CB LYS A 85 2.090 3.734 9.783 1.00 0.00 C ATOM 1259 CG LYS A 85 2.028 4.829 10.862 1.00 0.00 C ATOM 1260 CD LYS A 85 3.456 5.325 11.144 1.00 0.00 C ATOM 1261 CE LYS A 85 3.588 6.262 12.355 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.071 5.576 13.573 1.00 0.00 N ATOM 0 H LYS A 85 1.438 1.316 9.743 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.052 3.806 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.657 2.888 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.641 4.118 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.401 5.655 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.578 4.436 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.101 4.460 11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.826 5.844 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.273 7.072 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.619 6.716 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.139 6.260 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.406 4.820 13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.009 5.165 13.391 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.220 4.371 7.301 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.455 4.546 5.861 1.00 0.00 C ATOM 1278 C VAL A 86 0.188 5.877 5.493 1.00 0.00 C ATOM 1279 O VAL A 86 0.078 6.831 6.257 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.970 4.558 5.626 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.274 4.783 4.139 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.618 3.241 6.095 1.00 0.00 C ATOM 0 H VAL A 86 -0.716 5.046 7.883 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.031 3.749 5.250 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.392 5.376 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.353 4.789 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.857 5.739 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.828 3.981 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.692 3.280 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.188 2.406 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.433 3.104 7.160 1.00 0.00 H new ATOM 1292 N TYR A 87 0.814 5.959 4.325 1.00 0.00 N ATOM 1293 CA TYR A 87 1.361 7.168 3.737 1.00 0.00 C ATOM 1294 C TYR A 87 0.559 7.541 2.513 1.00 0.00 C ATOM 1295 O TYR A 87 -0.078 6.668 1.927 1.00 0.00 O ATOM 1296 CB TYR A 87 2.825 6.926 3.354 1.00 0.00 C ATOM 1297 CG TYR A 87 3.703 7.116 4.552 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.719 6.157 5.580 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.394 8.323 4.693 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.466 6.399 6.739 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.118 8.588 5.853 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.163 7.617 6.884 1.00 0.00 C ATOM 1303 OH TYR A 87 5.829 7.824 8.045 1.00 0.00 O ATOM 0 H TYR A 87 0.959 5.140 3.735 1.00 0.00 H new ATOM 0 HA TYR A 87 1.309 7.985 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.945 5.917 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.121 7.614 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.159 5.240 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.366 9.054 3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.509 5.655 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.641 9.526 5.966 1.00 0.00 H new ATOM 0 HH TYR A 87 5.193 8.075 8.747 1.00 0.00 H new ATOM 1313 N ARG A 88 0.664 8.803 2.104 1.00 0.00 N ATOM 1314 CA ARG A 88 0.326 9.290 0.776 1.00 0.00 C ATOM 1315 C ARG A 88 1.498 8.928 -0.131 1.00 0.00 C ATOM 1316 O ARG A 88 2.609 8.735 0.348 1.00 0.00 O ATOM 1317 CB ARG A 88 0.190 10.831 0.845 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.369 11.499 -0.426 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.893 11.400 -0.495 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.534 12.508 0.216 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.846 12.629 0.448 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.710 11.699 0.030 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -4.285 13.672 1.139 1.00 0.00 N ATOM 0 H ARG A 88 1.002 9.544 2.719 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.604 8.859 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.458 11.085 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.170 11.257 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.071 12.547 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.066 11.027 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.212 11.402 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.217 10.453 -0.064 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.928 13.251 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.373 10.880 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.707 11.809 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.625 14.368 1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.282 13.778 1.324 1.00 0.00 H new ATOM 1337 N PHE A 89 1.265 8.890 -1.434 1.00 0.00 N ATOM 1338 CA PHE A 89 2.274 9.094 -2.460 1.00 0.00 C ATOM 1339 C PHE A 89 1.577 9.914 -3.563 1.00 0.00 C ATOM 1340 O PHE A 89 0.341 9.904 -3.606 1.00 0.00 O ATOM 1341 CB PHE A 89 2.810 7.716 -2.903 1.00 0.00 C ATOM 1342 CG PHE A 89 2.484 7.352 -4.337 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.147 7.076 -4.678 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.466 7.367 -5.342 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.759 6.892 -6.014 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.077 7.163 -6.671 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.731 6.952 -7.020 1.00 0.00 C ATOM 0 H PHE A 89 0.337 8.710 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 89 3.155 9.646 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.892 7.701 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.400 6.951 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.405 7.004 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.504 7.533 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.275 6.707 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.828 7.168 -7.447 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.449 6.837 -8.056 1.00 0.00 H new ATOM 1357 N GLU A 90 2.299 10.584 -4.466 1.00 0.00 N ATOM 1358 CA GLU A 90 1.683 11.233 -5.622 1.00 0.00 C ATOM 1359 C GLU A 90 2.631 11.278 -6.829 1.00 0.00 C ATOM 1360 O GLU A 90 3.457 12.184 -6.980 1.00 0.00 O ATOM 1361 CB GLU A 90 1.137 12.619 -5.254 1.00 0.00 C ATOM 1362 CG GLU A 90 0.256 13.143 -6.396 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.585 14.337 -5.958 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -0.089 15.490 -6.044 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -1.755 14.109 -5.574 1.00 0.00 O ATOM 0 H GLU A 90 3.312 10.690 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 90 0.832 10.624 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.559 12.560 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.961 13.309 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.885 13.431 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.399 12.345 -6.745 1.00 0.00 H new ATOM 1372 N GLY A 91 2.480 10.290 -7.709 1.00 0.00 N ATOM 1373 CA GLY A 91 3.129 10.203 -9.003 1.00 0.00 C ATOM 1374 C GLY A 91 4.486 9.543 -8.886 1.00 0.00 C ATOM 1375 O GLY A 91 5.416 10.140 -8.339 1.00 0.00 O ATOM 0 H GLY A 91 1.871 9.493 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.502 9.635 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.242 11.202 -9.425 1.00 0.00 H new ATOM 1379 N GLY A 92 4.628 8.316 -9.390 1.00 0.00 N ATOM 1380 CA GLY A 92 5.849 7.560 -9.198 1.00 0.00 C ATOM 1381 C GLY A 92 5.694 6.069 -9.467 1.00 0.00 C ATOM 1382 O GLY A 92 4.596 5.511 -9.366 1.00 0.00 O ATOM 0 H GLY A 92 3.911 7.833 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.621 7.960 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.196 7.701 -8.175 1.00 0.00 H new ATOM 1386 N THR A 93 6.822 5.419 -9.743 1.00 0.00 N ATOM 1387 CA THR A 93 6.921 3.971 -9.755 1.00 0.00 C ATOM 1388 C THR A 93 7.189 3.463 -8.340 1.00 0.00 C ATOM 1389 O THR A 93 7.462 4.271 -7.455 1.00 0.00 O ATOM 1390 CB THR A 93 8.007 3.524 -10.744 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.286 4.070 -10.455 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.619 3.899 -12.172 1.00 0.00 C ATOM 0 H THR A 93 7.698 5.891 -9.966 1.00 0.00 H new ATOM 0 HA THR A 93 5.979 3.539 -10.091 1.00 0.00 H new ATOM 0 HB THR A 93 8.079 2.441 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.935 3.750 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.401 3.574 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.680 3.411 -12.434 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.499 4.980 -12.244 1.00 0.00 H new ATOM 1400 N VAL A 94 7.084 2.150 -8.091 1.00 0.00 N ATOM 1401 CA VAL A 94 7.371 1.542 -6.801 1.00 0.00 C ATOM 1402 C VAL A 94 8.592 2.171 -6.117 1.00 0.00 C ATOM 1403 O VAL A 94 8.464 2.497 -4.944 1.00 0.00 O ATOM 1404 CB VAL A 94 7.410 0.010 -6.947 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.928 -0.665 -5.678 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.013 -0.541 -7.280 1.00 0.00 C ATOM 0 H VAL A 94 6.791 1.476 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 94 6.561 1.759 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 94 8.095 -0.215 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.941 -1.746 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.938 -0.315 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.275 -0.417 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.064 -1.625 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.319 -0.281 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.665 -0.107 -8.217 1.00 0.00 H new ATOM 1416 N GLN A 95 9.717 2.424 -6.802 1.00 0.00 N ATOM 1417 CA GLN A 95 10.867 3.061 -6.154 1.00 0.00 C ATOM 1418 C GLN A 95 10.582 4.438 -5.556 1.00 0.00 C ATOM 1419 O GLN A 95 11.068 4.739 -4.475 1.00 0.00 O ATOM 1420 CB GLN A 95 12.091 3.143 -7.088 1.00 0.00 C ATOM 1421 CG GLN A 95 13.391 3.276 -6.266 1.00 0.00 C ATOM 1422 CD GLN A 95 14.607 3.704 -7.087 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.828 3.222 -8.199 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.423 4.603 -6.559 1.00 0.00 N ATOM 0 H GLN A 95 9.852 2.201 -7.788 1.00 0.00 H new ATOM 0 HA GLN A 95 11.093 2.399 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.139 2.252 -7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.988 3.997 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.231 4.001 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.606 2.320 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.225 4.992 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.249 4.907 -7.074 1.00 0.00 H new ATOM 1433 N GLU A 96 9.799 5.270 -6.225 1.00 0.00 N ATOM 1434 CA GLU A 96 9.486 6.633 -5.858 1.00 0.00 C ATOM 1435 C GLU A 96 8.708 6.621 -4.565 1.00 0.00 C ATOM 1436 O GLU A 96 8.958 7.457 -3.710 1.00 0.00 O ATOM 1437 CB GLU A 96 8.583 7.230 -6.931 1.00 0.00 C ATOM 1438 CG GLU A 96 9.204 7.270 -8.332 1.00 0.00 C ATOM 1439 CD GLU A 96 10.521 8.018 -8.479 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.711 9.066 -7.830 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.298 7.595 -9.369 1.00 0.00 O ATOM 0 H GLU A 96 9.339 4.989 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 96 10.405 7.209 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.659 6.653 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.313 8.244 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.358 6.243 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.480 7.720 -9.011 1.00 0.00 H new ATOM 1448 N ALA A 97 7.757 5.695 -4.398 1.00 0.00 N ATOM 1449 CA ALA A 97 7.091 5.508 -3.124 1.00 0.00 C ATOM 1450 C ALA A 97 8.101 5.387 -1.972 1.00 0.00 C ATOM 1451 O ALA A 97 7.862 5.906 -0.888 1.00 0.00 O ATOM 1452 CB ALA A 97 6.177 4.284 -3.252 1.00 0.00 C ATOM 0 H ALA A 97 7.438 5.067 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 97 6.485 6.379 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.660 4.116 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.445 4.458 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.776 3.407 -3.499 1.00 0.00 H new ATOM 1458 N ILE A 98 9.229 4.720 -2.191 1.00 0.00 N ATOM 1459 CA ILE A 98 10.227 4.413 -1.171 1.00 0.00 C ATOM 1460 C ILE A 98 11.085 5.633 -1.024 1.00 0.00 C ATOM 1461 O ILE A 98 11.073 6.199 0.046 1.00 0.00 O ATOM 1462 CB ILE A 98 11.118 3.215 -1.564 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.307 2.159 -2.285 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.878 2.634 -0.364 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.090 1.643 -1.518 1.00 0.00 C ATOM 0 H ILE A 98 9.483 4.366 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 98 9.722 4.144 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 98 11.878 3.584 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.970 2.568 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.958 1.315 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.490 1.794 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.519 3.403 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.166 2.292 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.575 0.891 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.415 1.198 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.411 2.471 -1.313 1.00 0.00 H new ATOM 1477 N ASP A 99 11.770 6.050 -2.086 1.00 0.00 N ATOM 1478 CA ASP A 99 12.699 7.171 -2.125 1.00 0.00 C ATOM 1479 C ASP A 99 12.044 8.422 -1.577 1.00 0.00 C ATOM 1480 O ASP A 99 12.694 9.241 -0.934 1.00 0.00 O ATOM 1481 CB ASP A 99 13.180 7.395 -3.563 1.00 0.00 C ATOM 1482 CG ASP A 99 14.581 6.821 -3.718 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.681 5.626 -4.064 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.581 7.518 -3.428 1.00 0.00 O ATOM 0 H ASP A 99 11.685 5.588 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 99 13.561 6.940 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.498 6.916 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.183 8.460 -3.797 1.00 0.00 H new ATOM 1489 N ALA A 100 10.735 8.551 -1.795 1.00 0.00 N ATOM 1490 CA ALA A 100 9.996 9.672 -1.251 1.00 0.00 C ATOM 1491 C ALA A 100 9.809 9.489 0.259 1.00 0.00 C ATOM 1492 O ALA A 100 10.089 10.402 1.022 1.00 0.00 O ATOM 1493 CB ALA A 100 8.680 9.824 -2.010 1.00 0.00 C ATOM 0 H ALA A 100 10.176 7.895 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 100 10.551 10.601 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.121 10.667 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.887 10.001 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.091 8.913 -1.904 1.00 0.00 H new ATOM 1499 N PHE A 101 9.327 8.335 0.714 1.00 0.00 N ATOM 1500 CA PHE A 101 9.114 8.029 2.126 1.00 0.00 C ATOM 1501 C PHE A 101 10.421 8.060 2.924 1.00 0.00 C ATOM 1502 O PHE A 101 10.483 8.684 3.988 1.00 0.00 O ATOM 1503 CB PHE A 101 8.435 6.657 2.205 1.00 0.00 C ATOM 1504 CG PHE A 101 8.534 5.919 3.520 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.620 6.171 4.558 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.533 4.942 3.686 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.694 5.428 5.750 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.603 4.205 4.877 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.668 4.431 5.901 1.00 0.00 C ATOM 0 H PHE A 101 9.067 7.567 0.095 1.00 0.00 H new ATOM 0 HA PHE A 101 8.478 8.790 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.379 6.787 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.861 6.023 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.863 6.933 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.246 4.760 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.998 5.626 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.377 3.463 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.700 3.838 6.803 1.00 0.00 H new ATOM 1519 N SER A 102 11.440 7.360 2.437 1.00 0.00 N ATOM 1520 CA SER A 102 12.711 7.119 3.079 1.00 0.00 C ATOM 1521 C SER A 102 13.433 8.445 3.240 1.00 0.00 C ATOM 1522 O SER A 102 13.871 8.763 4.346 1.00 0.00 O ATOM 1523 CB SER A 102 13.508 6.086 2.270 1.00 0.00 C ATOM 1524 OG SER A 102 13.822 6.512 0.962 1.00 0.00 O ATOM 0 H SER A 102 11.388 6.919 1.519 1.00 0.00 H new ATOM 0 HA SER A 102 12.579 6.696 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.432 5.857 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.935 5.161 2.214 1.00 0.00 H new ATOM 0 HG SER A 102 13.000 6.573 0.432 1.00 0.00 H new ATOM 1530 N GLU A 103 13.458 9.279 2.196 1.00 0.00 N ATOM 1531 CA GLU A 103 14.076 10.591 2.282 1.00 0.00 C ATOM 1532 C GLU A 103 13.015 11.624 2.691 1.00 0.00 C ATOM 1533 O GLU A 103 13.152 12.815 2.400 1.00 0.00 O ATOM 1534 CB GLU A 103 14.704 10.936 0.915 1.00 0.00 C ATOM 1535 CG GLU A 103 15.642 9.856 0.323 1.00 0.00 C ATOM 1536 CD GLU A 103 17.124 10.176 0.518 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.609 11.188 -0.029 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.836 9.417 1.224 1.00 0.00 O ATOM 0 H GLU A 103 13.055 9.062 1.284 1.00 0.00 H new ATOM 0 HA GLU A 103 14.863 10.599 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.901 11.125 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.266 11.865 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.420 8.896 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.437 9.749 -0.742 1.00 0.00 H new ATOM 1545 N GLY A 104 12.082 11.232 3.562 1.00 0.00 N ATOM 1546 CA GLY A 104 11.154 12.082 4.289 1.00 0.00 C ATOM 1547 C GLY A 104 10.461 13.151 3.448 1.00 0.00 C ATOM 1548 O GLY A 104 10.392 14.311 3.865 1.00 0.00 O ATOM 0 H GLY A 104 11.951 10.246 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.392 11.452 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.693 12.572 5.100 1.00 0.00 H new ATOM 1552 N ARG A 105 9.959 12.791 2.267 1.00 0.00 N ATOM 1553 CA ARG A 105 9.182 13.654 1.380 1.00 0.00 C ATOM 1554 C ARG A 105 7.797 13.066 1.117 1.00 0.00 C ATOM 1555 O ARG A 105 7.248 13.307 0.035 1.00 0.00 O ATOM 1556 CB ARG A 105 9.870 13.721 -0.001 1.00 0.00 C ATOM 1557 CG ARG A 105 11.367 14.047 -0.036 1.00 0.00 C ATOM 1558 CD ARG A 105 11.901 14.201 -1.467 1.00 0.00 C ATOM 1559 NE ARG A 105 11.718 15.566 -1.990 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.540 16.599 -1.752 1.00 0.00 C ATOM 1561 NH1 ARG A 105 13.633 16.452 -1.010 1.00 0.00 N ATOM 1562 NH2 ARG A 105 12.265 17.803 -2.243 1.00 0.00 N ATOM 0 H ARG A 105 10.088 11.853 1.888 1.00 0.00 H new ATOM 0 HA ARG A 105 9.108 14.629 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.724 12.760 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.350 14.469 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.548 14.969 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.920 13.257 0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.961 13.946 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.391 13.493 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 105 10.903 15.739 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.859 15.541 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.245 17.250 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.425 17.945 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.894 18.585 -2.059 1.00 0.00 H new ATOM 1576 N LEU A 106 7.155 12.424 2.091 1.00 0.00 N ATOM 1577 CA LEU A 106 5.777 11.972 1.941 1.00 0.00 C ATOM 1578 C LEU A 106 4.928 12.542 3.077 1.00 0.00 C ATOM 1579 O LEU A 106 5.419 13.332 3.885 1.00 0.00 O ATOM 1580 CB LEU A 106 5.693 10.433 1.831 1.00 0.00 C ATOM 1581 CG LEU A 106 6.089 9.859 0.452 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.792 8.356 0.377 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.393 10.506 -0.760 1.00 0.00 C ATOM 0 H LEU A 106 7.571 12.205 2.996 1.00 0.00 H new ATOM 0 HA LEU A 106 5.371 12.351 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.339 9.993 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.674 10.122 2.059 1.00 0.00 H new ATOM 0 HG LEU A 106 7.154 10.081 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.080 7.977 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.358 7.834 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.726 8.187 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.742 10.030 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.314 10.377 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.630 11.570 -0.791 1.00 0.00 H new ATOM 1595 N GLU A 107 3.656 12.151 3.135 1.00 0.00 N ATOM 1596 CA GLU A 107 2.724 12.509 4.192 1.00 0.00 C ATOM 1597 C GLU A 107 2.267 11.195 4.811 1.00 0.00 C ATOM 1598 O GLU A 107 1.989 10.248 4.075 1.00 0.00 O ATOM 1599 CB GLU A 107 1.496 13.274 3.641 1.00 0.00 C ATOM 1600 CG GLU A 107 1.759 14.265 2.492 1.00 0.00 C ATOM 1601 CD GLU A 107 0.468 14.942 1.995 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.553 14.256 1.732 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.421 16.191 1.908 1.00 0.00 O ATOM 0 H GLU A 107 3.236 11.556 2.421 1.00 0.00 H new ATOM 0 HA GLU A 107 3.207 13.166 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.764 12.542 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.038 13.821 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.461 15.029 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.233 13.739 1.663 1.00 0.00 H new ATOM 1610 N GLU A 108 2.156 11.122 6.131 1.00 0.00 N ATOM 1611 CA GLU A 108 1.523 10.011 6.825 1.00 0.00 C ATOM 1612 C GLU A 108 0.021 10.278 6.713 1.00 0.00 C ATOM 1613 O GLU A 108 -0.473 11.283 7.230 1.00 0.00 O ATOM 1614 CB GLU A 108 2.037 9.972 8.272 1.00 0.00 C ATOM 1615 CG GLU A 108 2.227 8.550 8.798 1.00 0.00 C ATOM 1616 CD GLU A 108 2.729 8.591 10.237 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.886 8.643 11.159 1.00 0.00 O ATOM 1618 OE2 GLU A 108 3.960 8.592 10.445 1.00 0.00 O ATOM 0 H GLU A 108 2.509 11.845 6.758 1.00 0.00 H new ATOM 0 HA GLU A 108 1.751 9.031 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.986 10.505 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.335 10.501 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.284 8.006 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.939 8.013 8.171 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.690 9.454 5.941 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.091 9.630 5.585 1.00 0.00 C ATOM 1627 C LEU A 109 -2.978 8.848 6.565 1.00 0.00 C ATOM 1628 O LEU A 109 -3.674 7.895 6.186 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.325 9.269 4.112 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.656 9.866 3.623 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.620 11.388 3.479 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.052 9.256 2.282 1.00 0.00 C ATOM 0 H LEU A 109 -0.284 8.612 5.532 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.372 10.679 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.503 9.646 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.339 8.186 3.993 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.392 9.623 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.590 11.744 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.393 11.840 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.851 11.667 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.996 9.689 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.277 9.465 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.166 8.178 2.392 1.00 0.00 H new