USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 964 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 Single : A 1 GLY N :NH3+ -113:sc= 0.0531 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.26 F(o=-4.6!,f=-2.3) USER MOD Single : A 24 SER OG : rot 120:sc= 0.891 USER MOD Single : A 29 MET CE :methyl -162:sc= -0.129 (180deg=-0.592) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= 0.0292 F(o=-0.78,f=0.029) USER MOD Single : A 40 CYS SG : rot 135:sc= -1.6! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.06 F(o=-2.8,f=-1.1) USER MOD Single : A 58 THR OG1 : rot -75:sc= 0.999 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 0.304 (180deg=0.0846) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= -2.67! USER MOD Single : A 72 ASN : amide:sc= -7.81! C(o=-7.8!,f=-12!) USER MOD Single : A 73 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.36) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 50:sc= 0.558 USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= -0.0213 (180deg=-0.0635) USER MOD Single : A 91 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.406 USER MOD Single : A 99 TYR OH : rot 37:sc= -0.212 USER MOD Single : A 104 THR OG1 : rot 82:sc= 0.29 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -3.4 K(o=-3.4,f=-12!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.775 12.359 -1.903 1.00 0.00 N ATOM 2 CA GLY A 1 -17.338 11.661 -0.763 1.00 0.00 C ATOM 3 C GLY A 1 -16.699 10.304 -0.540 1.00 0.00 C ATOM 4 O GLY A 1 -16.103 9.734 -1.454 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.259 13.200 -1.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.122 11.727 -2.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.540 12.651 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.210 12.271 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.410 11.534 -0.912 1.00 0.00 H new ATOM 8 N SER A 2 -16.821 9.787 0.678 1.00 0.00 N ATOM 9 CA SER A 2 -16.246 8.491 1.019 1.00 0.00 C ATOM 10 C SER A 2 -17.303 7.393 0.953 1.00 0.00 C ATOM 11 O SER A 2 -18.259 7.388 1.728 1.00 0.00 O ATOM 12 CB SER A 2 -15.629 8.537 2.419 1.00 0.00 C ATOM 13 OG SER A 2 -15.384 7.230 2.910 1.00 0.00 O ATOM 0 H SER A 2 -17.313 10.245 1.445 1.00 0.00 H new ATOM 0 HA SER A 2 -15.466 8.264 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.696 9.099 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.299 9.065 3.098 1.00 0.00 H new ATOM 0 HG SER A 2 -14.988 7.286 3.805 1.00 0.00 H new ATOM 19 N SER A 3 -17.122 6.463 0.020 1.00 0.00 N ATOM 20 CA SER A 3 -18.062 5.361 -0.152 1.00 0.00 C ATOM 21 C SER A 3 -17.705 4.195 0.765 1.00 0.00 C ATOM 22 O SER A 3 -18.530 3.735 1.552 1.00 0.00 O ATOM 23 CB SER A 3 -18.072 4.894 -1.609 1.00 0.00 C ATOM 24 OG SER A 3 -18.613 5.890 -2.460 1.00 0.00 O ATOM 0 H SER A 3 -16.334 6.451 -0.628 1.00 0.00 H new ATOM 0 HA SER A 3 -19.057 5.719 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.057 4.654 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.658 3.979 -1.697 1.00 0.00 H new ATOM 0 HG SER A 3 -18.607 5.568 -3.386 1.00 0.00 H new ATOM 30 N GLY A 4 -16.467 3.722 0.656 1.00 0.00 N ATOM 31 CA GLY A 4 -16.021 2.614 1.481 1.00 0.00 C ATOM 32 C GLY A 4 -14.580 2.231 1.207 1.00 0.00 C ATOM 33 O GLY A 4 -14.294 1.495 0.263 1.00 0.00 O ATOM 0 H GLY A 4 -15.765 4.086 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.129 2.881 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.663 1.751 1.304 1.00 0.00 H new ATOM 37 N SER A 5 -13.669 2.733 2.035 1.00 0.00 N ATOM 38 CA SER A 5 -12.248 2.443 1.874 1.00 0.00 C ATOM 39 C SER A 5 -11.539 2.438 3.225 1.00 0.00 C ATOM 40 O SER A 5 -11.912 3.175 4.137 1.00 0.00 O ATOM 41 CB SER A 5 -11.598 3.473 0.948 1.00 0.00 C ATOM 42 OG SER A 5 -11.539 4.748 1.564 1.00 0.00 O ATOM 0 H SER A 5 -13.889 3.342 2.823 1.00 0.00 H new ATOM 0 HA SER A 5 -12.152 1.453 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.592 3.146 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.165 3.540 0.019 1.00 0.00 H new ATOM 0 HG SER A 5 -11.118 5.388 0.952 1.00 0.00 H new ATOM 48 N SER A 6 -10.514 1.600 3.344 1.00 0.00 N ATOM 49 CA SER A 6 -9.754 1.494 4.584 1.00 0.00 C ATOM 50 C SER A 6 -8.917 2.748 4.817 1.00 0.00 C ATOM 51 O SER A 6 -8.999 3.713 4.058 1.00 0.00 O ATOM 52 CB SER A 6 -8.848 0.262 4.548 1.00 0.00 C ATOM 53 OG SER A 6 -8.598 -0.226 5.855 1.00 0.00 O ATOM 0 H SER A 6 -10.191 0.985 2.597 1.00 0.00 H new ATOM 0 HA SER A 6 -10.461 1.392 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.315 -0.519 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.905 0.515 4.064 1.00 0.00 H new ATOM 0 HG SER A 6 -8.018 -1.014 5.804 1.00 0.00 H new ATOM 59 N GLY A 7 -8.110 2.726 5.873 1.00 0.00 N ATOM 60 CA GLY A 7 -7.269 3.866 6.188 1.00 0.00 C ATOM 61 C GLY A 7 -6.545 4.406 4.971 1.00 0.00 C ATOM 62 O GLY A 7 -5.436 3.973 4.658 1.00 0.00 O ATOM 0 H GLY A 7 -8.024 1.939 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.881 4.656 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.538 3.577 6.943 1.00 0.00 H new ATOM 66 N ASP A 8 -7.173 5.353 4.283 1.00 0.00 N ATOM 67 CA ASP A 8 -6.581 5.953 3.093 1.00 0.00 C ATOM 68 C ASP A 8 -5.843 4.905 2.266 1.00 0.00 C ATOM 69 O ASP A 8 -4.884 5.218 1.561 1.00 0.00 O ATOM 70 CB ASP A 8 -5.622 7.078 3.485 1.00 0.00 C ATOM 71 CG ASP A 8 -5.282 7.983 2.317 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.399 7.611 1.517 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.899 9.063 2.203 1.00 0.00 O ATOM 0 H ASP A 8 -8.092 5.722 4.529 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.387 6.368 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.069 7.671 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.705 6.646 3.885 1.00 0.00 H new ATOM 78 N VAL A 9 -6.297 3.658 2.358 1.00 0.00 N ATOM 79 CA VAL A 9 -5.680 2.564 1.619 1.00 0.00 C ATOM 80 C VAL A 9 -6.278 2.438 0.222 1.00 0.00 C ATOM 81 O VAL A 9 -7.400 1.960 0.057 1.00 0.00 O ATOM 82 CB VAL A 9 -5.846 1.223 2.358 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.169 0.100 1.587 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.290 1.322 3.771 1.00 0.00 C ATOM 0 H VAL A 9 -7.090 3.381 2.937 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.618 2.797 1.538 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.910 0.994 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.297 -0.839 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.618 0.016 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.106 0.318 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.415 0.366 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.230 1.574 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.825 2.097 4.319 1.00 0.00 H new ATOM 94 N ILE A 10 -5.520 2.870 -0.781 1.00 0.00 N ATOM 95 CA ILE A 10 -5.975 2.805 -2.164 1.00 0.00 C ATOM 96 C ILE A 10 -5.779 1.407 -2.742 1.00 0.00 C ATOM 97 O ILE A 10 -4.734 0.786 -2.548 1.00 0.00 O ATOM 98 CB ILE A 10 -5.231 3.822 -3.050 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.369 5.232 -2.470 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.765 3.775 -4.474 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.355 6.212 -3.017 1.00 0.00 C ATOM 0 H ILE A 10 -4.589 3.268 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.037 3.048 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.173 3.559 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.372 5.605 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.266 5.182 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.229 4.499 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.621 2.775 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.828 4.017 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.512 7.190 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.349 5.862 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.472 6.291 -4.098 1.00 0.00 H new ATOM 113 N GLU A 11 -6.790 0.919 -3.453 1.00 0.00 N ATOM 114 CA GLU A 11 -6.728 -0.405 -4.060 1.00 0.00 C ATOM 115 C GLU A 11 -6.426 -0.306 -5.552 1.00 0.00 C ATOM 116 O GLU A 11 -7.097 0.421 -6.286 1.00 0.00 O ATOM 117 CB GLU A 11 -8.046 -1.152 -3.843 1.00 0.00 C ATOM 118 CG GLU A 11 -7.924 -2.659 -3.995 1.00 0.00 C ATOM 119 CD GLU A 11 -9.257 -3.369 -3.857 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.946 -3.145 -2.840 1.00 0.00 O ATOM 121 OE2 GLU A 11 -9.610 -4.149 -4.766 1.00 0.00 O ATOM 0 H GLU A 11 -7.662 1.421 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.921 -0.959 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.422 -0.925 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.785 -0.782 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.494 -2.888 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.233 -3.042 -3.244 1.00 0.00 H new ATOM 128 N LEU A 12 -5.412 -1.042 -5.994 1.00 0.00 N ATOM 129 CA LEU A 12 -5.019 -1.038 -7.399 1.00 0.00 C ATOM 130 C LEU A 12 -5.313 -2.385 -8.051 1.00 0.00 C ATOM 131 O LEU A 12 -5.679 -3.348 -7.375 1.00 0.00 O ATOM 132 CB LEU A 12 -3.531 -0.708 -7.532 1.00 0.00 C ATOM 133 CG LEU A 12 -3.083 0.626 -6.933 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.576 0.787 -7.055 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.802 1.783 -7.611 1.00 0.00 C ATOM 0 H LEU A 12 -4.847 -1.649 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.602 -0.273 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.959 -1.506 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.271 -0.714 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.343 0.633 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.276 1.742 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.079 -0.024 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.291 0.759 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.471 2.724 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.573 1.779 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.878 1.676 -7.470 1.00 0.00 H new ATOM 147 N THR A 13 -5.149 -2.448 -9.369 1.00 0.00 N ATOM 148 CA THR A 13 -5.395 -3.677 -10.112 1.00 0.00 C ATOM 149 C THR A 13 -4.257 -3.970 -11.083 1.00 0.00 C ATOM 150 O THR A 13 -3.442 -3.097 -11.380 1.00 0.00 O ATOM 151 CB THR A 13 -6.719 -3.603 -10.897 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.735 -3.002 -10.087 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.166 -4.990 -11.335 1.00 0.00 C ATOM 0 H THR A 13 -4.847 -1.661 -9.944 1.00 0.00 H new ATOM 0 HA THR A 13 -5.460 -4.482 -9.380 1.00 0.00 H new ATOM 0 HB THR A 13 -6.556 -2.994 -11.786 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.573 -2.957 -10.593 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.103 -4.913 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.403 -5.433 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.313 -5.619 -10.457 1.00 0.00 H new ATOM 161 N ASP A 14 -4.208 -5.203 -11.574 1.00 0.00 N ATOM 162 CA ASP A 14 -3.170 -5.611 -12.514 1.00 0.00 C ATOM 163 C ASP A 14 -3.001 -4.574 -13.621 1.00 0.00 C ATOM 164 O ASP A 14 -1.887 -4.309 -14.071 1.00 0.00 O ATOM 165 CB ASP A 14 -3.509 -6.973 -13.122 1.00 0.00 C ATOM 166 CG ASP A 14 -3.766 -8.030 -12.066 1.00 0.00 C ATOM 167 OD1 ASP A 14 -2.784 -8.595 -11.540 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.949 -8.292 -11.764 1.00 0.00 O ATOM 0 H ASP A 14 -4.875 -5.938 -11.337 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.230 -5.690 -11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.390 -6.875 -13.756 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.689 -7.296 -13.763 1.00 0.00 H new ATOM 173 N ASP A 15 -4.114 -3.993 -14.054 1.00 0.00 N ATOM 174 CA ASP A 15 -4.090 -2.986 -15.108 1.00 0.00 C ATOM 175 C ASP A 15 -4.185 -1.581 -14.520 1.00 0.00 C ATOM 176 O ASP A 15 -3.896 -0.594 -15.196 1.00 0.00 O ATOM 177 CB ASP A 15 -5.238 -3.218 -16.092 1.00 0.00 C ATOM 178 CG ASP A 15 -5.237 -4.623 -16.662 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.195 -5.039 -17.210 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.278 -5.306 -16.560 1.00 0.00 O ATOM 0 H ASP A 15 -5.044 -4.202 -13.691 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.142 -3.075 -15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.187 -3.034 -15.588 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.165 -2.498 -16.907 1.00 0.00 H new ATOM 185 N SER A 16 -4.591 -1.500 -13.257 1.00 0.00 N ATOM 186 CA SER A 16 -4.728 -0.217 -12.579 1.00 0.00 C ATOM 187 C SER A 16 -3.586 0.000 -11.590 1.00 0.00 C ATOM 188 O SER A 16 -3.667 0.857 -10.710 1.00 0.00 O ATOM 189 CB SER A 16 -6.071 -0.142 -11.849 1.00 0.00 C ATOM 190 OG SER A 16 -7.149 -0.097 -12.768 1.00 0.00 O ATOM 0 H SER A 16 -4.831 -2.308 -12.683 1.00 0.00 H new ATOM 0 HA SER A 16 -4.688 0.570 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.182 -1.007 -11.195 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.094 0.743 -11.213 1.00 0.00 H new ATOM 0 HG SER A 16 -7.996 -0.051 -12.277 1.00 0.00 H new ATOM 196 N PHE A 17 -2.523 -0.783 -11.743 1.00 0.00 N ATOM 197 CA PHE A 17 -1.365 -0.678 -10.864 1.00 0.00 C ATOM 198 C PHE A 17 -0.260 0.148 -11.516 1.00 0.00 C ATOM 199 O PHE A 17 0.524 0.807 -10.832 1.00 0.00 O ATOM 200 CB PHE A 17 -0.837 -2.071 -10.513 1.00 0.00 C ATOM 201 CG PHE A 17 0.593 -2.071 -10.051 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.617 -1.750 -10.927 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.911 -2.393 -8.742 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.933 -1.750 -10.505 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.226 -2.395 -8.314 1.00 0.00 C ATOM 206 CZ PHE A 17 3.238 -2.072 -9.196 1.00 0.00 C ATOM 0 H PHE A 17 -2.440 -1.497 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.679 -0.175 -9.949 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.463 -2.502 -9.732 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.928 -2.716 -11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.384 -1.497 -11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.123 -2.645 -8.048 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.723 -1.499 -11.198 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.461 -2.649 -7.291 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.266 -2.071 -8.864 1.00 0.00 H new ATOM 216 N ASP A 18 -0.203 0.106 -12.843 1.00 0.00 N ATOM 217 CA ASP A 18 0.805 0.850 -13.589 1.00 0.00 C ATOM 218 C ASP A 18 0.312 2.257 -13.913 1.00 0.00 C ATOM 219 O ASP A 18 0.988 3.245 -13.623 1.00 0.00 O ATOM 220 CB ASP A 18 1.163 0.112 -14.880 1.00 0.00 C ATOM 221 CG ASP A 18 1.898 -1.188 -14.618 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.922 -1.157 -13.904 1.00 0.00 O ATOM 223 OD2 ASP A 18 1.450 -2.236 -15.128 1.00 0.00 O ATOM 0 H ASP A 18 -0.843 -0.435 -13.424 1.00 0.00 H new ATOM 0 HA ASP A 18 1.696 0.931 -12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.252 -0.096 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.782 0.757 -15.504 1.00 0.00 H new ATOM 228 N LYS A 19 -0.868 2.341 -14.516 1.00 0.00 N ATOM 229 CA LYS A 19 -1.453 3.626 -14.880 1.00 0.00 C ATOM 230 C LYS A 19 -1.757 4.457 -13.638 1.00 0.00 C ATOM 231 O LYS A 19 -2.064 5.644 -13.734 1.00 0.00 O ATOM 232 CB LYS A 19 -2.733 3.416 -15.692 1.00 0.00 C ATOM 233 CG LYS A 19 -3.922 2.985 -14.852 1.00 0.00 C ATOM 234 CD LYS A 19 -5.225 3.110 -15.624 1.00 0.00 C ATOM 235 CE LYS A 19 -5.826 4.500 -15.481 1.00 0.00 C ATOM 236 NZ LYS A 19 -6.998 4.691 -16.380 1.00 0.00 N ATOM 0 H LYS A 19 -1.439 1.533 -14.764 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.729 4.167 -15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.981 4.343 -16.209 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.548 2.663 -16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.786 1.952 -14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.972 3.596 -13.950 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.047 2.896 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.936 2.366 -15.264 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.131 4.659 -14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.068 5.249 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.380 5.650 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.701 4.564 -17.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.732 3.993 -16.146 1.00 0.00 H new ATOM 250 N ASN A 20 -1.667 3.825 -12.472 1.00 0.00 N ATOM 251 CA ASN A 20 -1.932 4.507 -11.210 1.00 0.00 C ATOM 252 C ASN A 20 -0.629 4.883 -10.511 1.00 0.00 C ATOM 253 O ASN A 20 -0.574 5.855 -9.758 1.00 0.00 O ATOM 254 CB ASN A 20 -2.778 3.619 -10.295 1.00 0.00 C ATOM 255 CG ASN A 20 -4.236 3.584 -10.709 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.518 2.923 -11.826 1.00 0.00 O flip ATOM 257 ND2 ASN A 20 -5.099 4.144 -10.033 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.413 2.842 -12.375 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.483 5.422 -11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.376 2.606 -10.304 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.703 3.982 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.837 4.641 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.076 4.111 -10.324 1.00 0.00 H new ATOM 264 N VAL A 21 0.418 4.105 -10.766 1.00 0.00 N ATOM 265 CA VAL A 21 1.722 4.357 -10.163 1.00 0.00 C ATOM 266 C VAL A 21 2.662 5.039 -11.151 1.00 0.00 C ATOM 267 O VAL A 21 3.118 6.159 -10.919 1.00 0.00 O ATOM 268 CB VAL A 21 2.373 3.052 -9.669 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.831 3.287 -9.304 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.603 2.488 -8.485 1.00 0.00 C ATOM 0 H VAL A 21 0.389 3.295 -11.386 1.00 0.00 H new ATOM 0 HA VAL A 21 1.555 5.016 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 21 2.339 2.321 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.274 2.354 -8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.373 3.642 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.892 4.034 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.077 1.566 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.603 3.214 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.576 2.280 -8.785 1.00 0.00 H new ATOM 280 N LEU A 22 2.947 4.357 -12.255 1.00 0.00 N ATOM 281 CA LEU A 22 3.833 4.897 -13.280 1.00 0.00 C ATOM 282 C LEU A 22 3.344 6.260 -13.760 1.00 0.00 C ATOM 283 O LEU A 22 4.082 7.245 -13.720 1.00 0.00 O ATOM 284 CB LEU A 22 3.926 3.931 -14.462 1.00 0.00 C ATOM 285 CG LEU A 22 4.094 2.453 -14.109 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.251 1.617 -15.370 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.287 2.257 -13.185 1.00 0.00 C ATOM 0 H LEU A 22 2.577 3.429 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 22 4.823 5.021 -12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.025 4.040 -15.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.767 4.233 -15.087 1.00 0.00 H new ATOM 0 HG LEU A 22 3.197 2.120 -13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.369 0.568 -15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.366 1.732 -15.996 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.130 1.951 -15.921 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.391 1.199 -12.944 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.192 2.607 -13.681 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.133 2.824 -12.267 1.00 0.00 H new ATOM 299 N ASP A 23 2.095 6.310 -14.210 1.00 0.00 N ATOM 300 CA ASP A 23 1.506 7.552 -14.694 1.00 0.00 C ATOM 301 C ASP A 23 1.466 8.602 -13.588 1.00 0.00 C ATOM 302 O ASP A 23 1.224 9.781 -13.845 1.00 0.00 O ATOM 303 CB ASP A 23 0.094 7.299 -15.226 1.00 0.00 C ATOM 304 CG ASP A 23 -0.442 8.471 -16.025 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.006 8.659 -17.175 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.311 9.198 -15.500 1.00 0.00 O ATOM 0 H ASP A 23 1.471 5.504 -14.249 1.00 0.00 H new ATOM 0 HA ASP A 23 2.129 7.929 -15.505 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.099 6.408 -15.853 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.575 7.096 -14.390 1.00 0.00 H new ATOM 311 N SER A 24 1.703 8.164 -12.355 1.00 0.00 N ATOM 312 CA SER A 24 1.689 9.065 -11.208 1.00 0.00 C ATOM 313 C SER A 24 3.109 9.380 -10.748 1.00 0.00 C ATOM 314 O SER A 24 3.743 8.577 -10.065 1.00 0.00 O ATOM 315 CB SER A 24 0.892 8.447 -10.057 1.00 0.00 C ATOM 316 OG SER A 24 0.793 9.346 -8.966 1.00 0.00 O ATOM 0 H SER A 24 1.907 7.191 -12.125 1.00 0.00 H new ATOM 0 HA SER A 24 1.210 9.995 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.106 8.180 -10.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.374 7.525 -9.730 1.00 0.00 H new ATOM 0 HG SER A 24 -0.151 9.540 -8.787 1.00 0.00 H new ATOM 322 N GLU A 25 3.600 10.556 -11.127 1.00 0.00 N ATOM 323 CA GLU A 25 4.945 10.977 -10.754 1.00 0.00 C ATOM 324 C GLU A 25 5.175 10.799 -9.256 1.00 0.00 C ATOM 325 O GLU A 25 6.313 10.679 -8.801 1.00 0.00 O ATOM 326 CB GLU A 25 5.173 12.438 -11.146 1.00 0.00 C ATOM 327 CG GLU A 25 5.325 12.650 -12.643 1.00 0.00 C ATOM 328 CD GLU A 25 4.911 14.042 -13.080 1.00 0.00 C ATOM 329 OE1 GLU A 25 4.100 14.671 -12.369 1.00 0.00 O ATOM 330 OE2 GLU A 25 5.398 14.501 -14.135 1.00 0.00 O ATOM 0 H GLU A 25 3.087 11.233 -11.691 1.00 0.00 H new ATOM 0 HA GLU A 25 5.656 10.349 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.336 13.037 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.068 12.805 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.363 12.478 -12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.723 11.912 -13.174 1.00 0.00 H new ATOM 337 N ASP A 26 4.087 10.784 -8.494 1.00 0.00 N ATOM 338 CA ASP A 26 4.168 10.621 -7.047 1.00 0.00 C ATOM 339 C ASP A 26 4.524 9.184 -6.682 1.00 0.00 C ATOM 340 O ASP A 26 4.313 8.261 -7.469 1.00 0.00 O ATOM 341 CB ASP A 26 2.842 11.014 -6.393 1.00 0.00 C ATOM 342 CG ASP A 26 2.598 12.509 -6.432 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.085 13.165 -7.376 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.921 13.024 -5.517 1.00 0.00 O ATOM 0 H ASP A 26 3.138 10.883 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 26 4.955 11.277 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.024 10.502 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.837 10.675 -5.357 1.00 0.00 H new ATOM 349 N VAL A 27 5.066 9.000 -5.482 1.00 0.00 N ATOM 350 CA VAL A 27 5.452 7.675 -5.012 1.00 0.00 C ATOM 351 C VAL A 27 4.231 6.862 -4.598 1.00 0.00 C ATOM 352 O VAL A 27 3.257 7.406 -4.077 1.00 0.00 O ATOM 353 CB VAL A 27 6.424 7.763 -3.820 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.784 6.373 -3.320 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.674 8.539 -4.209 1.00 0.00 C ATOM 0 H VAL A 27 5.248 9.752 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 27 5.952 7.178 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 27 5.929 8.297 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.471 6.456 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.879 5.856 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.260 5.810 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.350 8.592 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.173 8.034 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.396 9.548 -4.514 1.00 0.00 H new ATOM 365 N TRP A 28 4.289 5.556 -4.834 1.00 0.00 N ATOM 366 CA TRP A 28 3.187 4.667 -4.485 1.00 0.00 C ATOM 367 C TRP A 28 3.692 3.447 -3.722 1.00 0.00 C ATOM 368 O TRP A 28 4.386 2.598 -4.281 1.00 0.00 O ATOM 369 CB TRP A 28 2.444 4.223 -5.746 1.00 0.00 C ATOM 370 CG TRP A 28 1.493 5.257 -6.269 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.808 6.358 -7.013 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.073 5.286 -6.087 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.670 7.071 -7.304 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.408 6.433 -6.748 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.838 4.454 -5.432 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.759 6.767 -6.770 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.179 4.787 -5.455 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.630 5.935 -6.121 1.00 0.00 C ATOM 0 H TRP A 28 5.087 5.090 -5.265 1.00 0.00 H new ATOM 0 HA TRP A 28 2.500 5.216 -3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.171 3.982 -6.522 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.892 3.308 -5.531 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.805 6.629 -7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.633 7.935 -7.846 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.501 3.567 -4.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.108 7.652 -7.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.892 4.152 -4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.685 6.167 -6.122 1.00 0.00 H new ATOM 389 N MET A 29 3.340 3.366 -2.443 1.00 0.00 N ATOM 390 CA MET A 29 3.758 2.248 -1.605 1.00 0.00 C ATOM 391 C MET A 29 2.769 1.091 -1.710 1.00 0.00 C ATOM 392 O MET A 29 1.706 1.112 -1.089 1.00 0.00 O ATOM 393 CB MET A 29 3.885 2.696 -0.147 1.00 0.00 C ATOM 394 CG MET A 29 5.265 3.223 0.208 1.00 0.00 C ATOM 395 SD MET A 29 5.411 3.670 1.949 1.00 0.00 S ATOM 396 CE MET A 29 6.536 2.404 2.531 1.00 0.00 C ATOM 0 H MET A 29 2.767 4.061 -1.964 1.00 0.00 H new ATOM 0 HA MET A 29 4.730 1.904 -1.958 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.146 3.472 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.647 1.855 0.505 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.012 2.466 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.486 4.095 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.480 2.339 3.618 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.260 1.444 2.095 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.554 2.658 2.235 1.00 0.00 H new ATOM 406 N VAL A 30 3.126 0.083 -2.499 1.00 0.00 N ATOM 407 CA VAL A 30 2.271 -1.083 -2.684 1.00 0.00 C ATOM 408 C VAL A 30 2.498 -2.112 -1.583 1.00 0.00 C ATOM 409 O VAL A 30 3.635 -2.479 -1.288 1.00 0.00 O ATOM 410 CB VAL A 30 2.516 -1.748 -4.052 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.536 -2.889 -4.275 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.415 -0.721 -5.169 1.00 0.00 C ATOM 0 H VAL A 30 4.002 0.050 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 30 1.241 -0.730 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 30 3.525 -2.161 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.725 -3.346 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.663 -3.636 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.517 -2.504 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.591 -1.208 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.420 -0.276 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.162 0.058 -5.016 1.00 0.00 H new ATOM 422 N GLU A 31 1.408 -2.574 -0.977 1.00 0.00 N ATOM 423 CA GLU A 31 1.490 -3.561 0.093 1.00 0.00 C ATOM 424 C GLU A 31 0.591 -4.758 -0.202 1.00 0.00 C ATOM 425 O GLU A 31 -0.610 -4.728 0.065 1.00 0.00 O ATOM 426 CB GLU A 31 1.095 -2.930 1.430 1.00 0.00 C ATOM 427 CG GLU A 31 0.929 -3.939 2.553 1.00 0.00 C ATOM 428 CD GLU A 31 2.251 -4.522 3.014 1.00 0.00 C ATOM 429 OE1 GLU A 31 2.875 -5.270 2.233 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.662 -4.228 4.157 1.00 0.00 O ATOM 0 H GLU A 31 0.459 -2.281 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 31 2.521 -3.909 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.853 -2.201 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.160 -2.384 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.434 -3.459 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.277 -4.746 2.218 1.00 0.00 H new ATOM 437 N PHE A 32 1.182 -5.812 -0.756 1.00 0.00 N ATOM 438 CA PHE A 32 0.436 -7.020 -1.089 1.00 0.00 C ATOM 439 C PHE A 32 0.008 -7.761 0.175 1.00 0.00 C ATOM 440 O PHE A 32 0.826 -8.036 1.053 1.00 0.00 O ATOM 441 CB PHE A 32 1.282 -7.940 -1.972 1.00 0.00 C ATOM 442 CG PHE A 32 1.766 -7.282 -3.232 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.899 -6.485 -3.222 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.088 -7.462 -4.427 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.346 -5.878 -4.381 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.531 -6.858 -5.589 1.00 0.00 C ATOM 447 CZ PHE A 32 2.662 -6.066 -5.566 1.00 0.00 C ATOM 0 H PHE A 32 2.175 -5.854 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.459 -6.725 -1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.142 -8.289 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.695 -8.820 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.439 -6.336 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.203 -8.081 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.230 -5.257 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.993 -7.005 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.011 -5.595 -6.473 1.00 0.00 H new ATOM 457 N TYR A 33 -1.278 -8.081 0.258 1.00 0.00 N ATOM 458 CA TYR A 33 -1.816 -8.787 1.415 1.00 0.00 C ATOM 459 C TYR A 33 -2.834 -9.839 0.986 1.00 0.00 C ATOM 460 O TYR A 33 -3.307 -9.834 -0.150 1.00 0.00 O ATOM 461 CB TYR A 33 -2.466 -7.799 2.385 1.00 0.00 C ATOM 462 CG TYR A 33 -3.851 -7.360 1.966 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.928 -8.235 2.032 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.082 -6.071 1.501 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.195 -7.839 1.649 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.346 -5.666 1.118 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.399 -6.554 1.193 1.00 0.00 C ATOM 468 OH TYR A 33 -7.659 -6.154 0.811 1.00 0.00 O ATOM 0 H TYR A 33 -1.967 -7.863 -0.462 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.990 -9.290 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.522 -8.257 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.828 -6.920 2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.772 -9.242 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.259 -5.374 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.021 -8.532 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.509 -4.660 0.762 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.630 -5.220 0.516 1.00 0.00 H new ATOM 478 N ALA A 34 -3.166 -10.741 1.904 1.00 0.00 N ATOM 479 CA ALA A 34 -4.129 -11.798 1.623 1.00 0.00 C ATOM 480 C ALA A 34 -5.290 -11.761 2.612 1.00 0.00 C ATOM 481 O ALA A 34 -5.106 -11.573 3.814 1.00 0.00 O ATOM 482 CB ALA A 34 -3.446 -13.157 1.658 1.00 0.00 C ATOM 0 H ALA A 34 -2.782 -10.761 2.849 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.532 -11.632 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.177 -13.937 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.656 -13.187 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.015 -13.322 2.645 1.00 0.00 H new ATOM 488 N PRO A 35 -6.514 -11.944 2.095 1.00 0.00 N ATOM 489 CA PRO A 35 -7.728 -11.936 2.916 1.00 0.00 C ATOM 490 C PRO A 35 -7.822 -13.156 3.826 1.00 0.00 C ATOM 491 O PRO A 35 -8.567 -13.156 4.806 1.00 0.00 O ATOM 492 CB PRO A 35 -8.856 -11.952 1.882 1.00 0.00 C ATOM 493 CG PRO A 35 -8.254 -12.584 0.675 1.00 0.00 C ATOM 494 CD PRO A 35 -6.807 -12.174 0.671 1.00 0.00 C ATOM 0 HA PRO A 35 -7.759 -11.078 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.714 -12.521 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.210 -10.944 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.352 -13.669 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.757 -12.250 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.170 -12.952 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.646 -11.274 0.077 1.00 0.00 H new ATOM 502 N TRP A 36 -7.062 -14.194 3.495 1.00 0.00 N ATOM 503 CA TRP A 36 -7.060 -15.421 4.283 1.00 0.00 C ATOM 504 C TRP A 36 -5.791 -15.528 5.121 1.00 0.00 C ATOM 505 O TRP A 36 -5.515 -16.570 5.716 1.00 0.00 O ATOM 506 CB TRP A 36 -7.185 -16.640 3.367 1.00 0.00 C ATOM 507 CG TRP A 36 -6.446 -16.488 2.072 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.991 -16.394 0.823 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.027 -16.415 1.899 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.996 -16.267 -0.116 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.782 -16.276 0.518 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.939 -16.451 2.775 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.495 -16.175 -0.003 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.662 -16.350 2.256 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.449 -16.213 0.878 1.00 0.00 C ATOM 0 H TRP A 36 -6.440 -14.210 2.687 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.916 -15.392 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.809 -17.519 3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.239 -16.821 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.049 -16.416 0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.138 -16.180 -1.122 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.093 -16.556 3.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.328 -16.070 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.814 -16.377 2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.439 -16.136 0.504 1.00 0.00 H new ATOM 526 N CYS A 37 -5.023 -14.445 5.163 1.00 0.00 N ATOM 527 CA CYS A 37 -3.781 -14.418 5.929 1.00 0.00 C ATOM 528 C CYS A 37 -3.917 -13.518 7.153 1.00 0.00 C ATOM 529 O CYS A 37 -4.331 -12.365 7.045 1.00 0.00 O ATOM 530 CB CYS A 37 -2.627 -13.933 5.050 1.00 0.00 C ATOM 531 SG CYS A 37 -1.012 -13.979 5.862 1.00 0.00 S ATOM 0 H CYS A 37 -5.238 -13.575 4.676 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.569 -15.432 6.268 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.587 -14.547 4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.832 -12.911 4.730 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.100 -13.553 5.039 1.00 0.00 H new ATOM 537 N GLY A 38 -3.567 -14.055 8.318 1.00 0.00 N ATOM 538 CA GLY A 38 -3.658 -13.288 9.546 1.00 0.00 C ATOM 539 C GLY A 38 -2.757 -12.069 9.537 1.00 0.00 C ATOM 540 O GLY A 38 -3.210 -10.951 9.783 1.00 0.00 O ATOM 0 H GLY A 38 -3.222 -15.008 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.690 -12.972 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.393 -13.926 10.389 1.00 0.00 H new ATOM 544 N HIS A 39 -1.476 -12.285 9.255 1.00 0.00 N ATOM 545 CA HIS A 39 -0.508 -11.195 9.216 1.00 0.00 C ATOM 546 C HIS A 39 -1.110 -9.956 8.559 1.00 0.00 C ATOM 547 O HIS A 39 -0.790 -8.827 8.932 1.00 0.00 O ATOM 548 CB HIS A 39 0.749 -11.627 8.460 1.00 0.00 C ATOM 549 CG HIS A 39 1.491 -12.747 9.123 1.00 0.00 C ATOM 550 ND1 HIS A 39 1.156 -14.046 9.305 1.00 0.00 N flip ATOM 551 CD2 HIS A 39 2.736 -12.591 9.695 1.00 0.00 C flip ATOM 552 CE1 HIS A 39 2.194 -14.645 9.975 1.00 0.00 C flip ATOM 553 NE2 HIS A 39 3.135 -13.745 10.198 1.00 0.00 N flip ATOM 0 H HIS A 39 -1.085 -13.204 9.050 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.238 -10.946 10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.470 -11.934 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.415 -10.770 8.359 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.297 -11.669 9.727 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.235 -15.683 10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.020 -13.913 10.677 1.00 0.00 H new ATOM 562 N CYS A 40 -1.980 -10.176 7.580 1.00 0.00 N ATOM 563 CA CYS A 40 -2.626 -9.078 6.870 1.00 0.00 C ATOM 564 C CYS A 40 -3.687 -8.415 7.742 1.00 0.00 C ATOM 565 O CYS A 40 -3.622 -7.216 8.015 1.00 0.00 O ATOM 566 CB CYS A 40 -3.258 -9.584 5.572 1.00 0.00 C ATOM 567 SG CYS A 40 -4.594 -8.539 4.946 1.00 0.00 S ATOM 0 H CYS A 40 -2.254 -11.105 7.260 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.865 -8.336 6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.483 -9.661 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.644 -10.590 5.736 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.444 -8.363 3.667 1.00 0.00 H new ATOM 573 N LYS A 41 -4.664 -9.203 8.177 1.00 0.00 N ATOM 574 CA LYS A 41 -5.741 -8.695 9.018 1.00 0.00 C ATOM 575 C LYS A 41 -5.188 -7.825 10.143 1.00 0.00 C ATOM 576 O LYS A 41 -5.745 -6.775 10.460 1.00 0.00 O ATOM 577 CB LYS A 41 -6.548 -9.854 9.606 1.00 0.00 C ATOM 578 CG LYS A 41 -7.336 -10.634 8.568 1.00 0.00 C ATOM 579 CD LYS A 41 -7.765 -11.992 9.098 1.00 0.00 C ATOM 580 CE LYS A 41 -8.976 -11.877 10.011 1.00 0.00 C ATOM 581 NZ LYS A 41 -9.142 -13.084 10.867 1.00 0.00 N ATOM 0 H LYS A 41 -4.732 -10.197 7.961 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.395 -8.084 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.869 -10.534 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.237 -9.463 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.216 -10.063 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.728 -10.767 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.999 -12.652 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.939 -12.448 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.872 -10.995 10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.873 -11.733 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.978 -12.966 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.267 -13.922 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.297 -13.207 11.461 1.00 0.00 H new ATOM 595 N ASN A 42 -4.087 -8.269 10.741 1.00 0.00 N ATOM 596 CA ASN A 42 -3.458 -7.530 11.830 1.00 0.00 C ATOM 597 C ASN A 42 -2.750 -6.285 11.305 1.00 0.00 C ATOM 598 O ASN A 42 -2.631 -5.281 12.009 1.00 0.00 O ATOM 599 CB ASN A 42 -2.461 -8.423 12.571 1.00 0.00 C ATOM 600 CG ASN A 42 -3.148 -9.452 13.449 1.00 0.00 C ATOM 601 OD1 ASN A 42 -4.354 -9.673 13.338 1.00 0.00 O ATOM 602 ND2 ASN A 42 -2.380 -10.086 14.328 1.00 0.00 N ATOM 0 H ASN A 42 -3.612 -9.136 10.490 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.240 -7.217 12.522 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.826 -8.933 11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.809 -7.803 13.185 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.786 -10.789 14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.385 -9.870 14.385 1.00 0.00 H new ATOM 609 N LEU A 43 -2.281 -6.357 10.064 1.00 0.00 N ATOM 610 CA LEU A 43 -1.584 -5.236 9.443 1.00 0.00 C ATOM 611 C LEU A 43 -2.576 -4.205 8.913 1.00 0.00 C ATOM 612 O LEU A 43 -2.235 -3.036 8.735 1.00 0.00 O ATOM 613 CB LEU A 43 -0.690 -5.732 8.305 1.00 0.00 C ATOM 614 CG LEU A 43 -0.127 -4.656 7.376 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.063 -3.963 8.021 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.267 -5.262 6.036 1.00 0.00 C ATOM 0 H LEU A 43 -2.371 -7.180 9.468 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.964 -4.760 10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.145 -6.282 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.260 -6.440 7.704 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.903 -3.911 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.450 -3.201 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.750 -3.495 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.843 -4.696 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.666 -4.482 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.027 -6.028 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.609 -5.711 5.568 1.00 0.00 H new ATOM 628 N GLU A 44 -3.805 -4.647 8.665 1.00 0.00 N ATOM 629 CA GLU A 44 -4.846 -3.761 8.157 1.00 0.00 C ATOM 630 C GLU A 44 -4.743 -2.378 8.794 1.00 0.00 C ATOM 631 O GLU A 44 -4.668 -1.357 8.111 1.00 0.00 O ATOM 632 CB GLU A 44 -6.230 -4.357 8.426 1.00 0.00 C ATOM 633 CG GLU A 44 -7.334 -3.317 8.512 1.00 0.00 C ATOM 634 CD GLU A 44 -7.540 -2.800 9.923 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.008 -3.579 10.779 1.00 0.00 O ATOM 636 OE2 GLU A 44 -7.231 -1.615 10.171 1.00 0.00 O ATOM 0 H GLU A 44 -4.104 -5.612 8.807 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.706 -3.657 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.471 -5.066 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.199 -4.920 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.093 -2.482 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.266 -3.751 8.148 1.00 0.00 H new ATOM 643 N PRO A 45 -4.740 -2.344 10.134 1.00 0.00 N ATOM 644 CA PRO A 45 -4.647 -1.093 10.894 1.00 0.00 C ATOM 645 C PRO A 45 -3.272 -0.445 10.777 1.00 0.00 C ATOM 646 O PRO A 45 -3.161 0.757 10.541 1.00 0.00 O ATOM 647 CB PRO A 45 -4.910 -1.534 12.336 1.00 0.00 C ATOM 648 CG PRO A 45 -4.508 -2.968 12.373 1.00 0.00 C ATOM 649 CD PRO A 45 -4.828 -3.523 11.012 1.00 0.00 C ATOM 0 HA PRO A 45 -5.347 -0.341 10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.329 -0.942 13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.960 -1.410 12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.446 -3.070 12.596 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.050 -3.505 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.120 -4.297 10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.821 -3.972 10.984 1.00 0.00 H new ATOM 657 N GLU A 46 -2.227 -1.250 10.942 1.00 0.00 N ATOM 658 CA GLU A 46 -0.859 -0.753 10.855 1.00 0.00 C ATOM 659 C GLU A 46 -0.617 -0.059 9.518 1.00 0.00 C ATOM 660 O GLU A 46 0.219 0.838 9.415 1.00 0.00 O ATOM 661 CB GLU A 46 0.137 -1.901 11.034 1.00 0.00 C ATOM 662 CG GLU A 46 0.337 -2.312 12.483 1.00 0.00 C ATOM 663 CD GLU A 46 -0.606 -3.420 12.911 1.00 0.00 C ATOM 664 OE1 GLU A 46 -0.396 -4.576 12.486 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.554 -3.131 13.671 1.00 0.00 O ATOM 0 H GLU A 46 -2.302 -2.248 11.137 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.712 -0.026 11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.209 -2.764 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.098 -1.606 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.366 -2.641 12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.188 -1.445 13.126 1.00 0.00 H new ATOM 672 N TRP A 47 -1.353 -0.482 8.497 1.00 0.00 N ATOM 673 CA TRP A 47 -1.218 0.098 7.165 1.00 0.00 C ATOM 674 C TRP A 47 -2.208 1.240 6.966 1.00 0.00 C ATOM 675 O TRP A 47 -1.888 2.249 6.339 1.00 0.00 O ATOM 676 CB TRP A 47 -1.434 -0.974 6.095 1.00 0.00 C ATOM 677 CG TRP A 47 -1.015 -0.538 4.724 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.830 -0.101 3.718 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.320 -0.497 4.208 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.082 0.208 2.608 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.240 -0.026 2.883 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.574 -0.811 4.737 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.367 0.137 2.082 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.692 -0.650 3.940 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.583 -0.179 2.625 1.00 0.00 C ATOM 0 H TRP A 47 -2.049 -1.224 8.565 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.208 0.497 7.070 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.876 -1.869 6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.488 -1.249 6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.904 -0.012 3.786 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.451 0.555 1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.668 -1.173 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.285 0.500 1.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.667 -0.892 4.338 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.476 -0.063 2.028 1.00 0.00 H new ATOM 696 N ALA A 48 -3.412 1.074 7.504 1.00 0.00 N ATOM 697 CA ALA A 48 -4.448 2.092 7.386 1.00 0.00 C ATOM 698 C ALA A 48 -3.970 3.428 7.945 1.00 0.00 C ATOM 699 O ALA A 48 -4.034 4.454 7.268 1.00 0.00 O ATOM 700 CB ALA A 48 -5.714 1.642 8.100 1.00 0.00 C ATOM 0 H ALA A 48 -3.694 0.244 8.026 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.670 2.229 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.479 2.412 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.074 0.715 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.497 1.476 9.155 1.00 0.00 H new ATOM 706 N ALA A 49 -3.492 3.408 9.185 1.00 0.00 N ATOM 707 CA ALA A 49 -3.002 4.618 9.835 1.00 0.00 C ATOM 708 C ALA A 49 -1.803 5.194 9.089 1.00 0.00 C ATOM 709 O ALA A 49 -1.761 6.387 8.790 1.00 0.00 O ATOM 710 CB ALA A 49 -2.637 4.329 11.283 1.00 0.00 C ATOM 0 H ALA A 49 -3.434 2.567 9.760 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.800 5.360 9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.273 5.241 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.518 3.971 11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.858 3.567 11.317 1.00 0.00 H new ATOM 716 N ALA A 50 -0.830 4.339 8.793 1.00 0.00 N ATOM 717 CA ALA A 50 0.369 4.764 8.081 1.00 0.00 C ATOM 718 C ALA A 50 0.012 5.529 6.811 1.00 0.00 C ATOM 719 O ALA A 50 0.588 6.578 6.525 1.00 0.00 O ATOM 720 CB ALA A 50 1.238 3.560 7.747 1.00 0.00 C ATOM 0 H ALA A 50 -0.848 3.348 9.035 1.00 0.00 H new ATOM 0 HA ALA A 50 0.930 5.435 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.130 3.891 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.531 3.056 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.676 2.869 7.118 1.00 0.00 H new ATOM 726 N ALA A 51 -0.941 4.997 6.053 1.00 0.00 N ATOM 727 CA ALA A 51 -1.375 5.631 4.815 1.00 0.00 C ATOM 728 C ALA A 51 -1.814 7.070 5.060 1.00 0.00 C ATOM 729 O ALA A 51 -1.537 7.959 4.255 1.00 0.00 O ATOM 730 CB ALA A 51 -2.505 4.833 4.182 1.00 0.00 C ATOM 0 H ALA A 51 -1.427 4.128 6.275 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.528 5.649 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.820 5.318 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.159 3.823 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.348 4.785 4.872 1.00 0.00 H new ATOM 736 N SER A 52 -2.502 7.293 6.175 1.00 0.00 N ATOM 737 CA SER A 52 -2.983 8.625 6.524 1.00 0.00 C ATOM 738 C SER A 52 -1.872 9.456 7.158 1.00 0.00 C ATOM 739 O SER A 52 -1.834 10.676 7.009 1.00 0.00 O ATOM 740 CB SER A 52 -4.172 8.526 7.482 1.00 0.00 C ATOM 741 OG SER A 52 -5.377 8.285 6.777 1.00 0.00 O ATOM 0 H SER A 52 -2.739 6.568 6.853 1.00 0.00 H new ATOM 0 HA SER A 52 -3.304 9.120 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.000 7.723 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.260 9.450 8.054 1.00 0.00 H new ATOM 0 HG SER A 52 -6.121 8.224 7.412 1.00 0.00 H new ATOM 747 N GLU A 53 -0.969 8.783 7.865 1.00 0.00 N ATOM 748 CA GLU A 53 0.143 9.459 8.522 1.00 0.00 C ATOM 749 C GLU A 53 1.227 9.832 7.514 1.00 0.00 C ATOM 750 O GLU A 53 2.047 10.715 7.765 1.00 0.00 O ATOM 751 CB GLU A 53 0.735 8.569 9.617 1.00 0.00 C ATOM 752 CG GLU A 53 2.056 9.079 10.169 1.00 0.00 C ATOM 753 CD GLU A 53 1.888 10.308 11.042 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.116 10.238 12.022 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.526 11.339 10.745 1.00 0.00 O ATOM 0 H GLU A 53 -0.986 7.772 7.997 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.239 10.374 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.018 8.486 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.881 7.565 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.533 8.289 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.725 9.315 9.341 1.00 0.00 H new ATOM 762 N VAL A 54 1.223 9.151 6.372 1.00 0.00 N ATOM 763 CA VAL A 54 2.204 9.410 5.325 1.00 0.00 C ATOM 764 C VAL A 54 1.761 10.560 4.429 1.00 0.00 C ATOM 765 O VAL A 54 2.571 11.394 4.022 1.00 0.00 O ATOM 766 CB VAL A 54 2.442 8.160 4.457 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.258 8.513 3.223 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.130 7.072 5.268 1.00 0.00 C ATOM 0 H VAL A 54 0.552 8.416 6.149 1.00 0.00 H new ATOM 0 HA VAL A 54 3.135 9.680 5.824 1.00 0.00 H new ATOM 0 HB VAL A 54 1.476 7.779 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.416 7.617 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.722 9.256 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.222 8.919 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.290 6.196 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.090 7.440 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.503 6.799 6.117 1.00 0.00 H new ATOM 778 N LYS A 55 0.468 10.601 4.124 1.00 0.00 N ATOM 779 CA LYS A 55 -0.085 11.651 3.277 1.00 0.00 C ATOM 780 C LYS A 55 -0.212 12.962 4.047 1.00 0.00 C ATOM 781 O LYS A 55 -0.291 14.036 3.451 1.00 0.00 O ATOM 782 CB LYS A 55 -1.454 11.230 2.737 1.00 0.00 C ATOM 783 CG LYS A 55 -2.583 11.404 3.739 1.00 0.00 C ATOM 784 CD LYS A 55 -3.941 11.389 3.057 1.00 0.00 C ATOM 785 CE LYS A 55 -4.356 12.784 2.614 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.822 12.873 2.366 1.00 0.00 N ATOM 0 H LYS A 55 -0.216 9.919 4.451 1.00 0.00 H new ATOM 0 HA LYS A 55 0.597 11.806 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.678 11.814 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.409 10.185 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.539 10.607 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.454 12.345 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.908 10.726 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.688 10.985 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.072 13.507 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.817 13.052 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.065 13.839 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.089 12.201 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.337 12.642 3.240 1.00 0.00 H new ATOM 800 N GLU A 56 -0.228 12.865 5.372 1.00 0.00 N ATOM 801 CA GLU A 56 -0.344 14.044 6.222 1.00 0.00 C ATOM 802 C GLU A 56 1.001 14.750 6.360 1.00 0.00 C ATOM 803 O GLU A 56 1.060 15.968 6.524 1.00 0.00 O ATOM 804 CB GLU A 56 -0.871 13.654 7.605 1.00 0.00 C ATOM 805 CG GLU A 56 0.224 13.302 8.597 1.00 0.00 C ATOM 806 CD GLU A 56 -0.321 12.943 9.965 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.513 12.581 10.052 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.444 13.024 10.949 1.00 0.00 O ATOM 0 H GLU A 56 -0.162 11.983 5.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.049 14.730 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.461 14.479 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.543 12.802 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.804 12.464 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.907 14.146 8.692 1.00 0.00 H new ATOM 815 N GLN A 57 2.079 13.976 6.291 1.00 0.00 N ATOM 816 CA GLN A 57 3.424 14.526 6.409 1.00 0.00 C ATOM 817 C GLN A 57 4.017 14.815 5.034 1.00 0.00 C ATOM 818 O GLN A 57 4.681 15.832 4.833 1.00 0.00 O ATOM 819 CB GLN A 57 4.329 13.559 7.175 1.00 0.00 C ATOM 820 CG GLN A 57 3.870 13.296 8.600 1.00 0.00 C ATOM 821 CD GLN A 57 4.854 12.448 9.382 1.00 0.00 C ATOM 822 OE1 GLN A 57 4.897 11.157 9.076 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.566 12.948 10.253 1.00 0.00 N flip ATOM 0 H GLN A 57 2.047 12.966 6.154 1.00 0.00 H new ATOM 0 HA GLN A 57 3.358 15.464 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.374 12.613 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.342 13.962 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.727 14.247 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.901 12.796 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.500 13.946 10.455 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.222 12.365 10.772 1.00 0.00 H new ATOM 832 N THR A 58 3.772 13.914 4.088 1.00 0.00 N ATOM 833 CA THR A 58 4.282 14.071 2.732 1.00 0.00 C ATOM 834 C THR A 58 3.383 14.985 1.909 1.00 0.00 C ATOM 835 O THR A 58 3.442 14.988 0.679 1.00 0.00 O ATOM 836 CB THR A 58 4.405 12.712 2.017 1.00 0.00 C ATOM 837 OG1 THR A 58 3.103 12.172 1.763 1.00 0.00 O ATOM 838 CG2 THR A 58 5.211 11.730 2.855 1.00 0.00 C ATOM 0 H THR A 58 3.223 13.067 4.236 1.00 0.00 H new ATOM 0 HA THR A 58 5.272 14.520 2.817 1.00 0.00 H new ATOM 0 HB THR A 58 4.924 12.870 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.727 11.819 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.284 10.778 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.211 12.130 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.716 11.578 3.814 1.00 0.00 H new ATOM 846 N LYS A 59 2.551 15.763 2.594 1.00 0.00 N ATOM 847 CA LYS A 59 1.640 16.685 1.927 1.00 0.00 C ATOM 848 C LYS A 59 0.799 15.958 0.882 1.00 0.00 C ATOM 849 O LYS A 59 0.359 16.554 -0.100 1.00 0.00 O ATOM 850 CB LYS A 59 2.425 17.820 1.265 1.00 0.00 C ATOM 851 CG LYS A 59 3.092 18.757 2.256 1.00 0.00 C ATOM 852 CD LYS A 59 2.112 19.785 2.798 1.00 0.00 C ATOM 853 CE LYS A 59 2.834 20.956 3.445 1.00 0.00 C ATOM 854 NZ LYS A 59 3.109 20.709 4.888 1.00 0.00 N ATOM 0 H LYS A 59 2.489 15.773 3.612 1.00 0.00 H new ATOM 0 HA LYS A 59 0.971 17.104 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.187 17.392 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.750 18.396 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.508 18.179 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.925 19.267 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.480 20.149 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.455 19.313 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.773 21.137 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.231 21.858 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.602 21.530 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.211 20.561 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.706 19.863 4.988 1.00 0.00 H new ATOM 868 N GLY A 60 0.577 14.665 1.103 1.00 0.00 N ATOM 869 CA GLY A 60 -0.213 13.879 0.173 1.00 0.00 C ATOM 870 C GLY A 60 0.588 13.431 -1.033 1.00 0.00 C ATOM 871 O GLY A 60 0.022 13.050 -2.058 1.00 0.00 O ATOM 0 H GLY A 60 0.930 14.149 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.610 13.004 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.068 14.467 -0.161 1.00 0.00 H new ATOM 875 N LYS A 61 1.911 13.477 -0.913 1.00 0.00 N ATOM 876 CA LYS A 61 2.793 13.073 -2.002 1.00 0.00 C ATOM 877 C LYS A 61 2.871 11.553 -2.103 1.00 0.00 C ATOM 878 O LYS A 61 2.431 10.963 -3.090 1.00 0.00 O ATOM 879 CB LYS A 61 4.194 13.653 -1.793 1.00 0.00 C ATOM 880 CG LYS A 61 5.270 12.949 -2.600 1.00 0.00 C ATOM 881 CD LYS A 61 5.044 13.113 -4.094 1.00 0.00 C ATOM 882 CE LYS A 61 5.661 14.402 -4.613 1.00 0.00 C ATOM 883 NZ LYS A 61 5.450 14.567 -6.078 1.00 0.00 N ATOM 0 H LYS A 61 2.396 13.790 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 61 2.381 13.461 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.184 14.710 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.448 13.594 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.248 13.350 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.281 11.889 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.475 12.263 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.974 13.110 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.226 15.251 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.729 14.406 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.568 15.568 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.145 13.992 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.489 14.257 -6.327 1.00 0.00 H new ATOM 897 N VAL A 62 3.432 10.924 -1.076 1.00 0.00 N ATOM 898 CA VAL A 62 3.565 9.472 -1.049 1.00 0.00 C ATOM 899 C VAL A 62 2.233 8.804 -0.726 1.00 0.00 C ATOM 900 O VAL A 62 1.734 8.897 0.395 1.00 0.00 O ATOM 901 CB VAL A 62 4.615 9.024 -0.015 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.866 7.527 -0.122 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.909 9.803 -0.197 1.00 0.00 C ATOM 0 H VAL A 62 3.802 11.397 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 62 3.890 9.165 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 62 4.228 9.233 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.611 7.229 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.937 6.988 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.231 7.290 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.639 9.473 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.302 9.627 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.715 10.867 -0.065 1.00 0.00 H new ATOM 913 N LYS A 63 1.661 8.129 -1.717 1.00 0.00 N ATOM 914 CA LYS A 63 0.387 7.443 -1.541 1.00 0.00 C ATOM 915 C LYS A 63 0.603 5.961 -1.253 1.00 0.00 C ATOM 916 O LYS A 63 1.494 5.330 -1.823 1.00 0.00 O ATOM 917 CB LYS A 63 -0.483 7.609 -2.789 1.00 0.00 C ATOM 918 CG LYS A 63 -0.857 9.052 -3.082 1.00 0.00 C ATOM 919 CD LYS A 63 -1.435 9.206 -4.478 1.00 0.00 C ATOM 920 CE LYS A 63 -2.404 10.376 -4.555 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.712 11.647 -4.905 1.00 0.00 N ATOM 0 H LYS A 63 2.060 8.042 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.123 7.891 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.047 7.198 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.394 7.024 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.584 9.397 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.025 9.685 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.626 9.355 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.948 8.288 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.172 10.164 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.912 10.491 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.406 12.420 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.997 11.863 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.249 11.547 -5.831 1.00 0.00 H new ATOM 935 N LEU A 64 -0.219 5.409 -0.366 1.00 0.00 N ATOM 936 CA LEU A 64 -0.119 4.000 -0.004 1.00 0.00 C ATOM 937 C LEU A 64 -1.284 3.204 -0.583 1.00 0.00 C ATOM 938 O LEU A 64 -2.447 3.566 -0.403 1.00 0.00 O ATOM 939 CB LEU A 64 -0.088 3.845 1.518 1.00 0.00 C ATOM 940 CG LEU A 64 1.296 3.867 2.167 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.880 5.270 2.132 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.222 3.353 3.597 1.00 0.00 C ATOM 0 H LEU A 64 -0.962 5.916 0.115 1.00 0.00 H new ATOM 0 HA LEU A 64 0.808 3.608 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.686 4.644 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.574 2.904 1.777 1.00 0.00 H new ATOM 0 HG LEU A 64 1.953 3.209 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.865 5.266 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.970 5.601 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.224 5.951 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.216 3.376 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.549 3.985 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.848 2.329 3.597 1.00 0.00 H new ATOM 954 N ALA A 65 -0.965 2.118 -1.279 1.00 0.00 N ATOM 955 CA ALA A 65 -1.985 1.269 -1.882 1.00 0.00 C ATOM 956 C ALA A 65 -1.770 -0.194 -1.511 1.00 0.00 C ATOM 957 O ALA A 65 -0.676 -0.588 -1.107 1.00 0.00 O ATOM 958 CB ALA A 65 -1.986 1.438 -3.394 1.00 0.00 C ATOM 0 H ALA A 65 -0.007 1.805 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.956 1.576 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.753 0.798 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.196 2.478 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.010 1.159 -3.792 1.00 0.00 H new ATOM 964 N ALA A 66 -2.821 -0.996 -1.650 1.00 0.00 N ATOM 965 CA ALA A 66 -2.747 -2.416 -1.331 1.00 0.00 C ATOM 966 C ALA A 66 -3.265 -3.266 -2.486 1.00 0.00 C ATOM 967 O ALA A 66 -4.076 -2.809 -3.291 1.00 0.00 O ATOM 968 CB ALA A 66 -3.531 -2.713 -0.061 1.00 0.00 C ATOM 0 H ALA A 66 -3.734 -0.686 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.700 -2.672 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.467 -3.777 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.113 -2.140 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.575 -2.435 -0.204 1.00 0.00 H new ATOM 974 N VAL A 67 -2.790 -4.506 -2.561 1.00 0.00 N ATOM 975 CA VAL A 67 -3.206 -5.420 -3.618 1.00 0.00 C ATOM 976 C VAL A 67 -3.334 -6.845 -3.092 1.00 0.00 C ATOM 977 O VAL A 67 -2.532 -7.290 -2.271 1.00 0.00 O ATOM 978 CB VAL A 67 -2.213 -5.406 -4.795 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.680 -6.342 -5.900 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.033 -3.991 -5.324 1.00 0.00 C ATOM 0 H VAL A 67 -2.118 -4.900 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.179 -5.076 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.247 -5.761 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.966 -6.318 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.752 -7.358 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.658 -6.021 -6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.328 -4.000 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.993 -3.606 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.649 -3.352 -4.529 1.00 0.00 H new ATOM 990 N ASP A 68 -4.348 -7.558 -3.571 1.00 0.00 N ATOM 991 CA ASP A 68 -4.581 -8.934 -3.151 1.00 0.00 C ATOM 992 C ASP A 68 -3.836 -9.912 -4.054 1.00 0.00 C ATOM 993 O ASP A 68 -4.234 -10.145 -5.195 1.00 0.00 O ATOM 994 CB ASP A 68 -6.078 -9.248 -3.165 1.00 0.00 C ATOM 995 CG ASP A 68 -6.406 -10.541 -2.445 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.461 -11.259 -2.055 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.607 -10.836 -2.272 1.00 0.00 O ATOM 0 H ASP A 68 -5.022 -7.205 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.203 -9.046 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.623 -8.427 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.423 -9.313 -4.197 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.752 -10.480 -3.536 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.952 -11.432 -4.296 1.00 0.00 C ATOM 1004 C ALA A 69 -2.804 -12.597 -4.787 1.00 0.00 C ATOM 1005 O ALA A 69 -2.378 -13.377 -5.640 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.795 -11.943 -3.449 1.00 0.00 C ATOM 0 H ALA A 69 -2.408 -10.297 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.551 -10.916 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.206 -12.653 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.164 -11.105 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.186 -12.437 -2.559 1.00 0.00 H new ATOM 1012 N THR A 70 -4.012 -12.711 -4.243 1.00 0.00 N ATOM 1013 CA THR A 70 -4.924 -13.782 -4.624 1.00 0.00 C ATOM 1014 C THR A 70 -5.686 -13.428 -5.896 1.00 0.00 C ATOM 1015 O THR A 70 -6.163 -14.309 -6.611 1.00 0.00 O ATOM 1016 CB THR A 70 -5.934 -14.087 -3.502 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.852 -12.997 -3.360 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.219 -14.329 -2.181 1.00 0.00 C ATOM 0 H THR A 70 -4.381 -12.074 -3.537 1.00 0.00 H new ATOM 0 HA THR A 70 -4.314 -14.667 -4.803 1.00 0.00 H new ATOM 0 HB THR A 70 -6.481 -14.990 -3.772 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.387 -13.124 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.953 -14.542 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.542 -15.177 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.649 -13.441 -1.908 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.797 -12.133 -6.173 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.500 -11.662 -7.360 1.00 0.00 C ATOM 1028 C VAL A 71 -5.524 -11.125 -8.400 1.00 0.00 C ATOM 1029 O VAL A 71 -5.735 -11.279 -9.603 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.518 -10.561 -7.010 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.182 -10.027 -8.270 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.557 -11.087 -6.032 1.00 0.00 C ATOM 0 H VAL A 71 -5.409 -11.391 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.031 -12.519 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.986 -9.738 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.898 -9.250 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.423 -9.609 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.701 -10.839 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.268 -10.295 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.086 -11.928 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.063 -11.415 -5.118 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.454 -10.494 -7.929 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.443 -9.933 -8.818 1.00 0.00 C ATOM 1044 C ASN A 72 -2.380 -10.973 -9.159 1.00 0.00 C ATOM 1045 O ASN A 72 -1.589 -11.368 -8.303 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.788 -8.710 -8.173 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.537 -7.426 -8.476 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.081 -6.600 -9.267 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.692 -7.253 -7.845 1.00 0.00 N ATOM 0 H ASN A 72 -4.264 -10.358 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.936 -9.628 -9.741 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.740 -8.854 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.761 -8.621 -8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.240 -6.408 -8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.031 -7.965 -7.198 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.368 -11.410 -10.414 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.402 -12.404 -10.867 1.00 0.00 C ATOM 1058 C GLN A 73 -0.339 -11.765 -11.754 1.00 0.00 C ATOM 1059 O GLN A 73 0.842 -12.102 -11.666 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.112 -13.526 -11.627 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.075 -14.329 -10.768 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.383 -15.430 -9.989 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.585 -16.189 -10.540 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.685 -15.523 -8.700 1.00 0.00 N ATOM 0 H GLN A 73 -3.016 -11.092 -11.135 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.911 -12.824 -9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.659 -13.096 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.364 -14.199 -12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.580 -13.659 -10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.844 -14.767 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.352 -14.873 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.250 -16.245 -8.125 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.766 -10.841 -12.608 1.00 0.00 N ATOM 1074 CA VAL A 74 0.150 -10.154 -13.512 1.00 0.00 C ATOM 1075 C VAL A 74 1.292 -9.499 -12.743 1.00 0.00 C ATOM 1076 O VAL A 74 2.441 -9.514 -13.186 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.580 -9.079 -14.339 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.379 -8.416 -15.316 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.766 -9.686 -15.073 1.00 0.00 C ATOM 0 H VAL A 74 -1.740 -10.550 -12.693 1.00 0.00 H new ATOM 0 HA VAL A 74 0.555 -10.908 -14.186 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.956 -8.314 -13.659 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.154 -7.659 -15.892 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.193 -7.946 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.786 -9.167 -15.993 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.270 -8.912 -15.652 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.416 -10.471 -15.743 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.463 -10.110 -14.350 1.00 0.00 H new ATOM 1089 N LEU A 75 0.969 -8.926 -11.589 1.00 0.00 N ATOM 1090 CA LEU A 75 1.969 -8.266 -10.756 1.00 0.00 C ATOM 1091 C LEU A 75 2.635 -9.262 -9.813 1.00 0.00 C ATOM 1092 O LEU A 75 3.861 -9.354 -9.757 1.00 0.00 O ATOM 1093 CB LEU A 75 1.325 -7.136 -9.951 1.00 0.00 C ATOM 1094 CG LEU A 75 0.269 -6.307 -10.684 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.601 -5.553 -9.691 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.929 -5.342 -11.658 1.00 0.00 C ATOM 0 H LEU A 75 0.023 -8.905 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 75 2.733 -7.847 -11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.866 -7.567 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.113 -6.465 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.368 -6.985 -11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.346 -4.969 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.103 -6.263 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.022 -4.885 -9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.162 -4.761 -12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.590 -4.669 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.508 -5.904 -12.391 1.00 0.00 H new ATOM 1108 N ALA A 76 1.819 -10.007 -9.075 1.00 0.00 N ATOM 1109 CA ALA A 76 2.330 -11.000 -8.137 1.00 0.00 C ATOM 1110 C ALA A 76 3.365 -11.901 -8.801 1.00 0.00 C ATOM 1111 O ALA A 76 4.371 -12.262 -8.190 1.00 0.00 O ATOM 1112 CB ALA A 76 1.187 -11.831 -7.574 1.00 0.00 C ATOM 0 H ALA A 76 0.802 -9.942 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 76 2.819 -10.472 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.583 -12.568 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.485 -11.179 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.673 -12.342 -8.388 1.00 0.00 H new ATOM 1118 N SER A 77 3.112 -12.261 -10.055 1.00 0.00 N ATOM 1119 CA SER A 77 4.020 -13.125 -10.800 1.00 0.00 C ATOM 1120 C SER A 77 5.224 -12.337 -11.309 1.00 0.00 C ATOM 1121 O SER A 77 6.348 -12.839 -11.321 1.00 0.00 O ATOM 1122 CB SER A 77 3.289 -13.776 -11.976 1.00 0.00 C ATOM 1123 OG SER A 77 3.959 -14.948 -12.407 1.00 0.00 O ATOM 0 H SER A 77 2.286 -11.968 -10.576 1.00 0.00 H new ATOM 0 HA SER A 77 4.375 -13.904 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.269 -14.024 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.220 -13.068 -12.802 1.00 0.00 H new ATOM 0 HG SER A 77 3.471 -15.346 -13.158 1.00 0.00 H new ATOM 1129 N ARG A 78 4.979 -11.100 -11.728 1.00 0.00 N ATOM 1130 CA ARG A 78 6.042 -10.242 -12.239 1.00 0.00 C ATOM 1131 C ARG A 78 7.203 -10.170 -11.252 1.00 0.00 C ATOM 1132 O ARG A 78 8.357 -10.396 -11.618 1.00 0.00 O ATOM 1133 CB ARG A 78 5.504 -8.837 -12.514 1.00 0.00 C ATOM 1134 CG ARG A 78 6.449 -7.972 -13.331 1.00 0.00 C ATOM 1135 CD ARG A 78 5.910 -6.560 -13.498 1.00 0.00 C ATOM 1136 NE ARG A 78 6.426 -5.915 -14.702 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.046 -6.243 -15.932 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.151 -7.203 -16.119 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.562 -5.610 -16.978 1.00 0.00 N ATOM 0 H ARG A 78 4.054 -10.669 -11.724 1.00 0.00 H new ATOM 0 HA ARG A 78 6.407 -10.673 -13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.553 -8.918 -13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.302 -8.342 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.423 -7.935 -12.843 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.600 -8.423 -14.312 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.821 -6.591 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.177 -5.965 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 78 7.116 -5.172 -14.593 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.752 -7.692 -15.317 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.861 -7.453 -17.064 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.251 -4.871 -16.838 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.270 -5.863 -17.922 1.00 0.00 H new ATOM 1153 N TYR A 79 6.891 -9.853 -10.000 1.00 0.00 N ATOM 1154 CA TYR A 79 7.908 -9.747 -8.962 1.00 0.00 C ATOM 1155 C TYR A 79 7.930 -11.000 -8.091 1.00 0.00 C ATOM 1156 O TYR A 79 8.891 -11.248 -7.364 1.00 0.00 O ATOM 1157 CB TYR A 79 7.655 -8.514 -8.094 1.00 0.00 C ATOM 1158 CG TYR A 79 7.454 -7.244 -8.890 1.00 0.00 C ATOM 1159 CD1 TYR A 79 8.540 -6.512 -9.352 1.00 0.00 C ATOM 1160 CD2 TYR A 79 6.178 -6.776 -9.178 1.00 0.00 C ATOM 1161 CE1 TYR A 79 8.362 -5.351 -10.079 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.990 -5.617 -9.906 1.00 0.00 C ATOM 1163 CZ TYR A 79 7.085 -4.908 -10.354 1.00 0.00 C ATOM 1164 OH TYR A 79 6.901 -3.752 -11.078 1.00 0.00 O ATOM 0 H TYR A 79 5.941 -9.665 -9.680 1.00 0.00 H new ATOM 0 HA TYR A 79 8.878 -9.647 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.774 -8.689 -7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.498 -8.378 -7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.541 -6.856 -9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.318 -7.328 -8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.218 -4.793 -10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.991 -5.268 -10.123 1.00 0.00 H new ATOM 0 HH TYR A 79 5.942 -3.581 -11.184 1.00 0.00 H new ATOM 1174 N GLY A 80 6.862 -11.788 -8.172 1.00 0.00 N ATOM 1175 CA GLY A 80 6.778 -13.006 -7.388 1.00 0.00 C ATOM 1176 C GLY A 80 6.363 -12.744 -5.953 1.00 0.00 C ATOM 1177 O GLY A 80 7.211 -12.584 -5.075 1.00 0.00 O ATOM 0 H GLY A 80 6.054 -11.604 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.062 -13.685 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.745 -13.508 -7.397 1.00 0.00 H new ATOM 1181 N ILE A 81 5.057 -12.698 -5.715 1.00 0.00 N ATOM 1182 CA ILE A 81 4.533 -12.453 -4.377 1.00 0.00 C ATOM 1183 C ILE A 81 3.989 -13.735 -3.757 1.00 0.00 C ATOM 1184 O ILE A 81 3.016 -14.309 -4.246 1.00 0.00 O ATOM 1185 CB ILE A 81 3.417 -11.391 -4.396 1.00 0.00 C ATOM 1186 CG1 ILE A 81 3.935 -10.086 -5.004 1.00 0.00 C ATOM 1187 CG2 ILE A 81 2.890 -11.153 -2.988 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.068 -9.461 -4.220 1.00 0.00 C ATOM 0 H ILE A 81 4.342 -12.827 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 81 5.364 -12.085 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 81 2.597 -11.757 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.272 -10.278 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.113 -9.373 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.102 -10.400 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.488 -12.084 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.702 -10.804 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.384 -8.540 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.730 -9.237 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.907 -10.155 -4.177 1.00 0.00 H new ATOM 1200 N ARG A 82 4.621 -14.177 -2.675 1.00 0.00 N ATOM 1201 CA ARG A 82 4.201 -15.391 -1.986 1.00 0.00 C ATOM 1202 C ARG A 82 4.155 -15.172 -0.477 1.00 0.00 C ATOM 1203 O ARG A 82 3.310 -15.736 0.217 1.00 0.00 O ATOM 1204 CB ARG A 82 5.149 -16.545 -2.317 1.00 0.00 C ATOM 1205 CG ARG A 82 6.462 -16.492 -1.552 1.00 0.00 C ATOM 1206 CD ARG A 82 6.369 -17.243 -0.233 1.00 0.00 C ATOM 1207 NE ARG A 82 6.586 -18.677 -0.403 1.00 0.00 N ATOM 1208 CZ ARG A 82 6.864 -19.503 0.600 1.00 0.00 C ATOM 1209 NH1 ARG A 82 6.958 -19.039 1.838 1.00 0.00 N ATOM 1210 NH2 ARG A 82 7.049 -20.796 0.365 1.00 0.00 N ATOM 0 H ARG A 82 5.427 -13.712 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 82 3.198 -15.645 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.649 -17.489 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.360 -16.535 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.257 -16.922 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.732 -15.453 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.107 -16.845 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.388 -17.075 0.211 1.00 0.00 H new ATOM 0 HE ARG A 82 6.521 -19.066 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.817 -18.046 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.171 -19.675 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.978 -21.157 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.262 -21.429 1.136 1.00 0.00 H new ATOM 1224 N GLY A 83 5.071 -14.349 0.025 1.00 0.00 N ATOM 1225 CA GLY A 83 5.118 -14.071 1.448 1.00 0.00 C ATOM 1226 C GLY A 83 4.543 -12.711 1.792 1.00 0.00 C ATOM 1227 O GLY A 83 5.203 -11.687 1.613 1.00 0.00 O ATOM 0 H GLY A 83 5.781 -13.870 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.565 -14.842 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.151 -14.123 1.791 1.00 0.00 H new ATOM 1231 N PHE A 84 3.310 -12.700 2.287 1.00 0.00 N ATOM 1232 CA PHE A 84 2.645 -11.456 2.655 1.00 0.00 C ATOM 1233 C PHE A 84 2.629 -11.275 4.170 1.00 0.00 C ATOM 1234 O PHE A 84 2.710 -12.235 4.936 1.00 0.00 O ATOM 1235 CB PHE A 84 1.215 -11.437 2.112 1.00 0.00 C ATOM 1236 CG PHE A 84 1.021 -12.306 0.902 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.040 -12.463 -0.024 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.179 -12.966 0.692 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.864 -13.261 -1.138 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.360 -13.766 -0.421 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.663 -13.914 -1.336 1.00 0.00 C ATOM 0 H PHE A 84 2.751 -13.539 2.443 1.00 0.00 H new ATOM 0 HA PHE A 84 3.204 -10.630 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.533 -11.763 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.944 -10.412 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.982 -11.956 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.982 -12.854 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.665 -13.374 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.300 -14.274 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.525 -14.539 -2.205 1.00 0.00 H new ATOM 1251 N PRO A 85 2.522 -10.013 4.613 1.00 0.00 N ATOM 1252 CA PRO A 85 2.426 -8.862 3.711 1.00 0.00 C ATOM 1253 C PRO A 85 3.732 -8.595 2.970 1.00 0.00 C ATOM 1254 O PRO A 85 4.792 -9.082 3.364 1.00 0.00 O ATOM 1255 CB PRO A 85 2.097 -7.700 4.652 1.00 0.00 C ATOM 1256 CG PRO A 85 2.640 -8.119 5.974 1.00 0.00 C ATOM 1257 CD PRO A 85 2.488 -9.614 6.030 1.00 0.00 C ATOM 0 HA PRO A 85 1.683 -9.018 2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.556 -6.772 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.023 -7.524 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.686 -7.829 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.096 -7.641 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.294 -10.079 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.552 -9.905 6.507 1.00 0.00 H new ATOM 1265 N THR A 86 3.649 -7.817 1.896 1.00 0.00 N ATOM 1266 CA THR A 86 4.824 -7.486 1.100 1.00 0.00 C ATOM 1267 C THR A 86 4.792 -6.028 0.653 1.00 0.00 C ATOM 1268 O THR A 86 3.993 -5.649 -0.203 1.00 0.00 O ATOM 1269 CB THR A 86 4.933 -8.389 -0.143 1.00 0.00 C ATOM 1270 OG1 THR A 86 5.409 -9.686 0.234 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.871 -7.779 -1.174 1.00 0.00 C ATOM 0 H THR A 86 2.780 -7.404 1.557 1.00 0.00 H new ATOM 0 HA THR A 86 5.693 -7.650 1.737 1.00 0.00 H new ATOM 0 HB THR A 86 3.941 -8.481 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.877 -10.024 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.932 -8.434 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.491 -6.805 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.863 -7.661 -0.738 1.00 0.00 H new ATOM 1279 N ILE A 87 5.667 -5.217 1.238 1.00 0.00 N ATOM 1280 CA ILE A 87 5.740 -3.801 0.899 1.00 0.00 C ATOM 1281 C ILE A 87 6.820 -3.541 -0.145 1.00 0.00 C ATOM 1282 O ILE A 87 7.985 -3.890 0.050 1.00 0.00 O ATOM 1283 CB ILE A 87 6.025 -2.938 2.142 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.985 -3.214 3.230 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.033 -1.462 1.772 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.495 -2.958 4.631 1.00 0.00 C ATOM 0 H ILE A 87 6.335 -5.516 1.949 1.00 0.00 H new ATOM 0 HA ILE A 87 4.768 -3.524 0.490 1.00 0.00 H new ATOM 0 HB ILE A 87 7.009 -3.200 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.109 -2.590 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.658 -4.251 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.236 -0.865 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.807 -1.278 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.062 -1.184 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.705 -3.174 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.353 -3.601 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.795 -1.914 4.724 1.00 0.00 H new ATOM 1298 N LYS A 88 6.427 -2.924 -1.254 1.00 0.00 N ATOM 1299 CA LYS A 88 7.362 -2.613 -2.330 1.00 0.00 C ATOM 1300 C LYS A 88 7.170 -1.181 -2.820 1.00 0.00 C ATOM 1301 O LYS A 88 6.063 -0.781 -3.179 1.00 0.00 O ATOM 1302 CB LYS A 88 7.177 -3.590 -3.492 1.00 0.00 C ATOM 1303 CG LYS A 88 7.249 -5.050 -3.078 1.00 0.00 C ATOM 1304 CD LYS A 88 8.671 -5.581 -3.152 1.00 0.00 C ATOM 1305 CE LYS A 88 8.692 -7.087 -3.361 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.993 -7.685 -2.952 1.00 0.00 N ATOM 0 H LYS A 88 5.467 -2.629 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 88 8.374 -2.712 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.212 -3.402 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.942 -3.396 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.871 -5.160 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.603 -5.645 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.201 -5.092 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.202 -5.332 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.886 -7.545 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.503 -7.311 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.999 -8.698 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.768 -7.208 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.122 -7.568 -1.927 1.00 0.00 H new ATOM 1320 N ILE A 89 8.256 -0.415 -2.833 1.00 0.00 N ATOM 1321 CA ILE A 89 8.207 0.971 -3.282 1.00 0.00 C ATOM 1322 C ILE A 89 8.436 1.070 -4.786 1.00 0.00 C ATOM 1323 O ILE A 89 9.168 0.269 -5.368 1.00 0.00 O ATOM 1324 CB ILE A 89 9.255 1.835 -2.556 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.798 2.137 -1.128 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.500 3.126 -3.324 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.129 1.038 -0.143 1.00 0.00 C ATOM 0 H ILE A 89 9.180 -0.731 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 89 7.211 1.345 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 89 10.192 1.280 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.263 3.065 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.721 2.302 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.243 3.726 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.864 2.891 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.568 3.687 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.776 1.320 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.642 0.113 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.208 0.888 -0.115 1.00 0.00 H new ATOM 1339 N PHE A 90 7.806 2.059 -5.411 1.00 0.00 N ATOM 1340 CA PHE A 90 7.942 2.264 -6.849 1.00 0.00 C ATOM 1341 C PHE A 90 8.089 3.748 -7.175 1.00 0.00 C ATOM 1342 O PHE A 90 7.281 4.571 -6.746 1.00 0.00 O ATOM 1343 CB PHE A 90 6.731 1.687 -7.585 1.00 0.00 C ATOM 1344 CG PHE A 90 6.582 0.201 -7.420 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.908 -0.324 -6.329 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.117 -0.670 -8.355 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.769 -1.691 -6.175 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.980 -2.037 -8.206 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.307 -2.548 -7.114 1.00 0.00 C ATOM 0 H PHE A 90 7.196 2.731 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 90 8.841 1.745 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.828 2.177 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.816 1.920 -8.646 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.487 0.342 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.647 -0.276 -9.210 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.240 -2.088 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.399 -2.705 -8.943 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.202 -3.616 -6.995 1.00 0.00 H new ATOM 1359 N GLN A 91 9.127 4.080 -7.937 1.00 0.00 N ATOM 1360 CA GLN A 91 9.381 5.464 -8.319 1.00 0.00 C ATOM 1361 C GLN A 91 9.472 5.601 -9.835 1.00 0.00 C ATOM 1362 O GLN A 91 10.179 4.842 -10.497 1.00 0.00 O ATOM 1363 CB GLN A 91 10.672 5.965 -7.671 1.00 0.00 C ATOM 1364 CG GLN A 91 10.484 6.471 -6.250 1.00 0.00 C ATOM 1365 CD GLN A 91 11.799 6.773 -5.559 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.717 7.330 -6.162 1.00 0.00 O ATOM 1367 NE2 GLN A 91 11.897 6.406 -4.286 1.00 0.00 N ATOM 0 H GLN A 91 9.805 3.410 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 91 8.547 6.071 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.403 5.157 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.087 6.767 -8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.872 7.373 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.937 5.726 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.111 5.947 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.758 6.583 -3.769 1.00 0.00 H new ATOM 1376 N LYS A 92 8.750 6.575 -10.380 1.00 0.00 N ATOM 1377 CA LYS A 92 8.749 6.814 -11.819 1.00 0.00 C ATOM 1378 C LYS A 92 10.174 6.896 -12.358 1.00 0.00 C ATOM 1379 O LYS A 92 10.982 7.694 -11.885 1.00 0.00 O ATOM 1380 CB LYS A 92 7.996 8.107 -12.141 1.00 0.00 C ATOM 1381 CG LYS A 92 7.667 8.267 -13.615 1.00 0.00 C ATOM 1382 CD LYS A 92 6.536 9.260 -13.829 1.00 0.00 C ATOM 1383 CE LYS A 92 5.698 8.896 -15.045 1.00 0.00 C ATOM 1384 NZ LYS A 92 6.256 9.476 -16.297 1.00 0.00 N ATOM 0 H LYS A 92 8.158 7.212 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 92 8.244 5.977 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.070 8.132 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.596 8.957 -11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.554 8.603 -14.152 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.388 7.300 -14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.901 9.287 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.948 10.261 -13.956 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.646 7.811 -15.139 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.678 9.253 -14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.656 9.205 -17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.282 10.513 -16.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.220 9.116 -16.447 1.00 0.00 H new ATOM 1398 N GLY A 93 10.475 6.064 -13.351 1.00 0.00 N ATOM 1399 CA GLY A 93 11.802 6.060 -13.939 1.00 0.00 C ATOM 1400 C GLY A 93 12.805 5.296 -13.098 1.00 0.00 C ATOM 1401 O GLY A 93 13.629 4.551 -13.628 1.00 0.00 O ATOM 0 H GLY A 93 9.824 5.393 -13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.754 5.617 -14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.144 7.087 -14.064 1.00 0.00 H new ATOM 1405 N GLU A 94 12.737 5.483 -11.783 1.00 0.00 N ATOM 1406 CA GLU A 94 13.650 4.807 -10.868 1.00 0.00 C ATOM 1407 C GLU A 94 13.256 3.343 -10.689 1.00 0.00 C ATOM 1408 O GLU A 94 12.139 2.945 -11.019 1.00 0.00 O ATOM 1409 CB GLU A 94 13.662 5.513 -9.511 1.00 0.00 C ATOM 1410 CG GLU A 94 14.250 6.913 -9.558 1.00 0.00 C ATOM 1411 CD GLU A 94 14.646 7.426 -8.187 1.00 0.00 C ATOM 1412 OE1 GLU A 94 15.145 6.622 -7.373 1.00 0.00 O ATOM 1413 OE2 GLU A 94 14.457 8.634 -7.930 1.00 0.00 O ATOM 0 H GLU A 94 12.060 6.096 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 94 14.651 4.846 -11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.642 5.569 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.233 4.912 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.124 6.914 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.523 7.594 -10.000 1.00 0.00 H new ATOM 1420 N SER A 95 14.182 2.547 -10.164 1.00 0.00 N ATOM 1421 CA SER A 95 13.934 1.127 -9.945 1.00 0.00 C ATOM 1422 C SER A 95 13.236 0.898 -8.608 1.00 0.00 C ATOM 1423 O SER A 95 13.553 1.526 -7.598 1.00 0.00 O ATOM 1424 CB SER A 95 15.248 0.346 -9.989 1.00 0.00 C ATOM 1425 OG SER A 95 15.011 -1.052 -9.986 1.00 0.00 O ATOM 0 H SER A 95 15.111 2.861 -9.882 1.00 0.00 H new ATOM 0 HA SER A 95 13.281 0.770 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.808 0.621 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.864 0.615 -9.131 1.00 0.00 H new ATOM 0 HG SER A 95 15.867 -1.529 -10.016 1.00 0.00 H new ATOM 1431 N PRO A 96 12.263 -0.025 -8.600 1.00 0.00 N ATOM 1432 CA PRO A 96 11.500 -0.361 -7.394 1.00 0.00 C ATOM 1433 C PRO A 96 12.344 -1.100 -6.361 1.00 0.00 C ATOM 1434 O PRO A 96 13.317 -1.770 -6.704 1.00 0.00 O ATOM 1435 CB PRO A 96 10.385 -1.267 -7.921 1.00 0.00 C ATOM 1436 CG PRO A 96 10.938 -1.863 -9.169 1.00 0.00 C ATOM 1437 CD PRO A 96 11.833 -0.813 -9.767 1.00 0.00 C ATOM 0 HA PRO A 96 11.137 0.529 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.126 -2.038 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.476 -0.700 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.496 -2.774 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.139 -2.134 -9.859 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.682 -1.257 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.301 -0.198 -10.493 1.00 0.00 H new ATOM 1445 N VAL A 97 11.964 -0.973 -5.093 1.00 0.00 N ATOM 1446 CA VAL A 97 12.685 -1.630 -4.010 1.00 0.00 C ATOM 1447 C VAL A 97 11.731 -2.400 -3.103 1.00 0.00 C ATOM 1448 O VAL A 97 10.512 -2.287 -3.229 1.00 0.00 O ATOM 1449 CB VAL A 97 13.473 -0.614 -3.163 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.738 -0.181 -3.888 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.604 0.589 -2.828 1.00 0.00 C ATOM 0 H VAL A 97 11.161 -0.421 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 97 13.385 -2.327 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 97 13.764 -1.095 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.282 0.537 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.368 -1.051 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.472 0.282 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.177 1.297 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.281 1.072 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.730 0.261 -2.265 1.00 0.00 H new ATOM 1461 N ASP A 98 12.295 -3.181 -2.189 1.00 0.00 N ATOM 1462 CA ASP A 98 11.495 -3.970 -1.258 1.00 0.00 C ATOM 1463 C ASP A 98 11.661 -3.458 0.169 1.00 0.00 C ATOM 1464 O ASP A 98 12.756 -3.496 0.730 1.00 0.00 O ATOM 1465 CB ASP A 98 11.892 -5.445 -1.334 1.00 0.00 C ATOM 1466 CG ASP A 98 13.252 -5.711 -0.718 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.136 -4.836 -0.832 1.00 0.00 O ATOM 1468 OD2 ASP A 98 13.433 -6.794 -0.124 1.00 0.00 O ATOM 0 H ASP A 98 13.303 -3.285 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 98 10.447 -3.869 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.141 -6.047 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.900 -5.763 -2.377 1.00 0.00 H new ATOM 1473 N TYR A 99 10.567 -2.979 0.751 1.00 0.00 N ATOM 1474 CA TYR A 99 10.592 -2.456 2.112 1.00 0.00 C ATOM 1475 C TYR A 99 10.442 -3.582 3.131 1.00 0.00 C ATOM 1476 O TYR A 99 9.524 -4.398 3.041 1.00 0.00 O ATOM 1477 CB TYR A 99 9.477 -1.427 2.306 1.00 0.00 C ATOM 1478 CG TYR A 99 9.432 -0.837 3.697 1.00 0.00 C ATOM 1479 CD1 TYR A 99 10.306 0.176 4.072 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.517 -1.294 4.638 1.00 0.00 C ATOM 1481 CE1 TYR A 99 10.269 0.717 5.343 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.472 -0.757 5.910 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.350 0.248 6.258 1.00 0.00 C ATOM 1484 OH TYR A 99 9.310 0.784 7.524 1.00 0.00 O ATOM 0 H TYR A 99 9.652 -2.942 0.302 1.00 0.00 H new ATOM 0 HA TYR A 99 11.556 -1.972 2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.608 -0.622 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.518 -1.898 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.026 0.547 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.829 -2.083 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.956 1.503 5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.753 -1.122 6.628 1.00 0.00 H new ATOM 0 HH TYR A 99 9.490 1.746 7.478 1.00 0.00 H new ATOM 1494 N ASP A 100 11.350 -3.618 4.100 1.00 0.00 N ATOM 1495 CA ASP A 100 11.319 -4.642 5.138 1.00 0.00 C ATOM 1496 C ASP A 100 11.356 -4.010 6.526 1.00 0.00 C ATOM 1497 O ASP A 100 12.314 -4.189 7.276 1.00 0.00 O ATOM 1498 CB ASP A 100 12.497 -5.604 4.971 1.00 0.00 C ATOM 1499 CG ASP A 100 12.406 -6.798 5.901 1.00 0.00 C ATOM 1500 OD1 ASP A 100 11.299 -7.358 6.041 1.00 0.00 O ATOM 1501 OD2 ASP A 100 13.443 -7.172 6.487 1.00 0.00 O ATOM 0 H ASP A 100 12.116 -2.950 4.188 1.00 0.00 H new ATOM 0 HA ASP A 100 10.388 -5.199 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.534 -5.953 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.428 -5.070 5.160 1.00 0.00 H new ATOM 1506 N GLY A 101 10.305 -3.267 6.861 1.00 0.00 N ATOM 1507 CA GLY A 101 10.237 -2.619 8.157 1.00 0.00 C ATOM 1508 C GLY A 101 9.628 -3.511 9.221 1.00 0.00 C ATOM 1509 O GLY A 101 9.759 -4.733 9.165 1.00 0.00 O ATOM 0 H GLY A 101 9.499 -3.103 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.240 -2.324 8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.648 -1.706 8.072 1.00 0.00 H new ATOM 1513 N GLY A 102 8.962 -2.898 10.194 1.00 0.00 N ATOM 1514 CA GLY A 102 8.342 -3.660 11.262 1.00 0.00 C ATOM 1515 C GLY A 102 6.856 -3.864 11.043 1.00 0.00 C ATOM 1516 O GLY A 102 6.124 -4.199 11.975 1.00 0.00 O ATOM 0 H GLY A 102 8.841 -1.888 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.831 -4.631 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.499 -3.145 12.210 1.00 0.00 H new ATOM 1520 N ARG A 103 6.408 -3.660 9.808 1.00 0.00 N ATOM 1521 CA ARG A 103 4.999 -3.821 9.470 1.00 0.00 C ATOM 1522 C ARG A 103 4.124 -2.938 10.354 1.00 0.00 C ATOM 1523 O ARG A 103 2.949 -3.232 10.575 1.00 0.00 O ATOM 1524 CB ARG A 103 4.581 -5.285 9.619 1.00 0.00 C ATOM 1525 CG ARG A 103 5.327 -6.229 8.691 1.00 0.00 C ATOM 1526 CD ARG A 103 4.669 -7.599 8.644 1.00 0.00 C ATOM 1527 NE ARG A 103 5.184 -8.489 9.681 1.00 0.00 N ATOM 1528 CZ ARG A 103 4.722 -8.511 10.926 1.00 0.00 C ATOM 1529 NH1 ARG A 103 3.740 -7.696 11.287 1.00 0.00 N ATOM 1530 NH2 ARG A 103 5.242 -9.350 11.814 1.00 0.00 N ATOM 0 H ARG A 103 7.001 -3.383 9.025 1.00 0.00 H new ATOM 0 HA ARG A 103 4.862 -3.515 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.745 -5.598 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.511 -5.370 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.359 -5.805 7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.359 -6.331 9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.591 -7.488 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.836 -8.048 7.665 1.00 0.00 H new ATOM 0 HE ARG A 103 5.940 -9.129 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.338 -7.050 10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.387 -7.715 12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.997 -9.979 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.886 -9.366 12.770 1.00 0.00 H new ATOM 1544 N THR A 104 4.704 -1.853 10.858 1.00 0.00 N ATOM 1545 CA THR A 104 3.979 -0.928 11.719 1.00 0.00 C ATOM 1546 C THR A 104 3.983 0.482 11.139 1.00 0.00 C ATOM 1547 O THR A 104 4.995 0.944 10.613 1.00 0.00 O ATOM 1548 CB THR A 104 4.582 -0.889 13.136 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.996 -1.103 13.073 1.00 0.00 O ATOM 1550 CG2 THR A 104 3.943 -1.945 14.025 1.00 0.00 C ATOM 0 H THR A 104 5.675 -1.594 10.684 1.00 0.00 H new ATOM 0 HA THR A 104 2.953 -1.291 11.778 1.00 0.00 H new ATOM 0 HB THR A 104 4.383 0.093 13.565 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.445 -0.261 12.851 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.385 -1.898 15.020 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.871 -1.762 14.095 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.115 -2.933 13.598 1.00 0.00 H new ATOM 1558 N ARG A 105 2.844 1.161 11.239 1.00 0.00 N ATOM 1559 CA ARG A 105 2.717 2.518 10.723 1.00 0.00 C ATOM 1560 C ARG A 105 3.908 3.374 11.144 1.00 0.00 C ATOM 1561 O ARG A 105 4.373 4.225 10.385 1.00 0.00 O ATOM 1562 CB ARG A 105 1.417 3.155 11.218 1.00 0.00 C ATOM 1563 CG ARG A 105 1.495 3.665 12.648 1.00 0.00 C ATOM 1564 CD ARG A 105 0.128 3.667 13.314 1.00 0.00 C ATOM 1565 NE ARG A 105 0.192 4.147 14.692 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.848 4.149 15.518 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.026 3.699 15.108 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.712 4.602 16.758 1.00 0.00 N ATOM 0 H ARG A 105 1.997 0.793 11.672 1.00 0.00 H new ATOM 0 HA ARG A 105 2.696 2.465 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.154 3.983 10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.613 2.423 11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.179 3.040 13.222 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.905 4.675 12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.553 4.297 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.284 2.658 13.300 1.00 0.00 H new ATOM 0 HE ARG A 105 1.084 4.500 15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.135 3.350 14.156 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.823 3.702 15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.192 4.949 17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.512 4.603 17.391 1.00 0.00 H new ATOM 1582 N SER A 106 4.397 3.142 12.358 1.00 0.00 N ATOM 1583 CA SER A 106 5.531 3.894 12.882 1.00 0.00 C ATOM 1584 C SER A 106 6.722 3.814 11.932 1.00 0.00 C ATOM 1585 O SER A 106 7.280 4.836 11.530 1.00 0.00 O ATOM 1586 CB SER A 106 5.928 3.365 14.261 1.00 0.00 C ATOM 1587 OG SER A 106 6.542 4.378 15.039 1.00 0.00 O ATOM 0 H SER A 106 4.026 2.439 12.997 1.00 0.00 H new ATOM 0 HA SER A 106 5.231 4.938 12.974 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.045 2.990 14.778 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.612 2.524 14.148 1.00 0.00 H new ATOM 0 HG SER A 106 6.785 4.015 15.916 1.00 0.00 H new ATOM 1593 N ASP A 107 7.105 2.593 11.576 1.00 0.00 N ATOM 1594 CA ASP A 107 8.229 2.378 10.672 1.00 0.00 C ATOM 1595 C ASP A 107 7.836 2.691 9.232 1.00 0.00 C ATOM 1596 O ASP A 107 8.511 3.460 8.547 1.00 0.00 O ATOM 1597 CB ASP A 107 8.725 0.935 10.776 1.00 0.00 C ATOM 1598 CG ASP A 107 9.182 0.579 12.177 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.202 1.140 12.628 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.519 -0.261 12.822 1.00 0.00 O ATOM 0 H ASP A 107 6.654 1.737 11.899 1.00 0.00 H new ATOM 0 HA ASP A 107 9.033 3.053 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.927 0.257 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.550 0.786 10.079 1.00 0.00 H new ATOM 1605 N ILE A 108 6.741 2.090 8.778 1.00 0.00 N ATOM 1606 CA ILE A 108 6.258 2.306 7.420 1.00 0.00 C ATOM 1607 C ILE A 108 6.251 3.789 7.068 1.00 0.00 C ATOM 1608 O ILE A 108 6.636 4.179 5.966 1.00 0.00 O ATOM 1609 CB ILE A 108 4.840 1.737 7.230 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.830 0.231 7.497 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.334 2.034 5.826 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.503 -0.284 8.009 1.00 0.00 C ATOM 0 H ILE A 108 6.172 1.450 9.331 1.00 0.00 H new ATOM 0 HA ILE A 108 6.943 1.781 6.754 1.00 0.00 H new ATOM 0 HB ILE A 108 4.173 2.218 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.084 -0.295 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.607 -0.006 8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.330 1.626 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.308 3.112 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.001 1.577 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.570 -1.359 8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.257 0.214 8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.725 -0.079 7.274 1.00 0.00 H new ATOM 1624 N VAL A 109 5.811 4.614 8.013 1.00 0.00 N ATOM 1625 CA VAL A 109 5.756 6.056 7.805 1.00 0.00 C ATOM 1626 C VAL A 109 7.153 6.666 7.809 1.00 0.00 C ATOM 1627 O VAL A 109 7.501 7.452 6.927 1.00 0.00 O ATOM 1628 CB VAL A 109 4.903 6.747 8.886 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.098 8.255 8.837 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.435 6.385 8.718 1.00 0.00 C ATOM 0 H VAL A 109 5.487 4.308 8.931 1.00 0.00 H new ATOM 0 HA VAL A 109 5.295 6.218 6.831 1.00 0.00 H new ATOM 0 HB VAL A 109 5.231 6.394 9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.488 8.726 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.148 8.492 9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.798 8.629 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.847 6.882 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.091 6.708 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.314 5.306 8.808 1.00 0.00 H new ATOM 1640 N SER A 110 7.951 6.297 8.806 1.00 0.00 N ATOM 1641 CA SER A 110 9.310 6.811 8.927 1.00 0.00 C ATOM 1642 C SER A 110 10.026 6.774 7.580 1.00 0.00 C ATOM 1643 O SER A 110 10.699 7.731 7.196 1.00 0.00 O ATOM 1644 CB SER A 110 10.096 5.996 9.957 1.00 0.00 C ATOM 1645 OG SER A 110 11.471 6.340 9.937 1.00 0.00 O ATOM 0 H SER A 110 7.680 5.644 9.541 1.00 0.00 H new ATOM 0 HA SER A 110 9.252 7.847 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.688 6.172 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.981 4.932 9.749 1.00 0.00 H new ATOM 0 HG SER A 110 11.951 5.807 10.605 1.00 0.00 H new ATOM 1651 N ARG A 111 9.876 5.663 6.867 1.00 0.00 N ATOM 1652 CA ARG A 111 10.509 5.500 5.563 1.00 0.00 C ATOM 1653 C ARG A 111 9.833 6.381 4.517 1.00 0.00 C ATOM 1654 O ARG A 111 10.492 7.156 3.825 1.00 0.00 O ATOM 1655 CB ARG A 111 10.453 4.035 5.125 1.00 0.00 C ATOM 1656 CG ARG A 111 11.600 3.628 4.215 1.00 0.00 C ATOM 1657 CD ARG A 111 11.614 4.448 2.935 1.00 0.00 C ATOM 1658 NE ARG A 111 12.535 3.899 1.943 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.855 4.031 2.013 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.406 4.691 3.023 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.627 3.503 1.071 1.00 0.00 N ATOM 0 H ARG A 111 9.322 4.862 7.170 1.00 0.00 H new ATOM 0 HA ARG A 111 11.551 5.806 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.459 3.399 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.510 3.854 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 111 12.546 3.756 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.513 2.570 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.608 4.483 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.899 5.475 3.165 1.00 0.00 H new ATOM 0 HE ARG A 111 12.143 3.386 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.816 5.099 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.420 4.791 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.207 2.995 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.640 3.605 1.126 1.00 0.00 H new ATOM 1675 N ALA A 112 8.514 6.256 4.408 1.00 0.00 N ATOM 1676 CA ALA A 112 7.749 7.042 3.448 1.00 0.00 C ATOM 1677 C ALA A 112 8.264 8.476 3.378 1.00 0.00 C ATOM 1678 O ALA A 112 8.187 9.123 2.333 1.00 0.00 O ATOM 1679 CB ALA A 112 6.272 7.026 3.811 1.00 0.00 C ATOM 0 H ALA A 112 7.953 5.618 4.973 1.00 0.00 H new ATOM 0 HA ALA A 112 7.875 6.591 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.713 7.617 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.906 5.999 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.137 7.450 4.806 1.00 0.00 H new ATOM 1685 N LEU A 113 8.788 8.966 4.495 1.00 0.00 N ATOM 1686 CA LEU A 113 9.315 10.325 4.561 1.00 0.00 C ATOM 1687 C LEU A 113 10.694 10.406 3.913 1.00 0.00 C ATOM 1688 O LEU A 113 11.015 11.382 3.234 1.00 0.00 O ATOM 1689 CB LEU A 113 9.395 10.792 6.015 1.00 0.00 C ATOM 1690 CG LEU A 113 8.058 11.056 6.710 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.274 11.366 8.183 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.318 12.196 6.026 1.00 0.00 C ATOM 0 H LEU A 113 8.860 8.443 5.368 1.00 0.00 H new ATOM 0 HA LEU A 113 8.637 10.978 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.937 10.040 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.987 11.707 6.050 1.00 0.00 H new ATOM 0 HG LEU A 113 7.447 10.156 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.312 11.551 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.762 10.519 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.903 12.251 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.369 12.370 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.924 13.101 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.130 11.935 4.985 1.00 0.00 H new ATOM 1704 N ASP A 114 11.503 9.374 4.125 1.00 0.00 N ATOM 1705 CA ASP A 114 12.846 9.327 3.558 1.00 0.00 C ATOM 1706 C ASP A 114 12.800 9.457 2.039 1.00 0.00 C ATOM 1707 O ASP A 114 13.725 9.988 1.422 1.00 0.00 O ATOM 1708 CB ASP A 114 13.542 8.023 3.950 1.00 0.00 C ATOM 1709 CG ASP A 114 14.314 8.146 5.249 1.00 0.00 C ATOM 1710 OD1 ASP A 114 13.881 8.923 6.126 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.351 7.464 5.389 1.00 0.00 O ATOM 0 H ASP A 114 11.253 8.559 4.685 1.00 0.00 H new ATOM 0 HA ASP A 114 13.413 10.167 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.798 7.232 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.223 7.724 3.153 1.00 0.00 H new ATOM 1716 N LEU A 115 11.719 8.969 1.441 1.00 0.00 N ATOM 1717 CA LEU A 115 11.552 9.029 -0.007 1.00 0.00 C ATOM 1718 C LEU A 115 10.763 10.270 -0.413 1.00 0.00 C ATOM 1719 O LEU A 115 11.032 10.878 -1.449 1.00 0.00 O ATOM 1720 CB LEU A 115 10.842 7.772 -0.511 1.00 0.00 C ATOM 1721 CG LEU A 115 11.398 6.439 -0.008 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.308 5.379 0.008 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.568 5.991 -0.871 1.00 0.00 C ATOM 0 H LEU A 115 10.945 8.527 1.937 1.00 0.00 H new ATOM 0 HA LEU A 115 12.542 9.086 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.791 7.834 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.879 7.770 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 115 11.757 6.577 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.722 4.437 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.501 5.697 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.919 5.242 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.952 5.041 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.234 5.869 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.358 6.741 -0.832 1.00 0.00 H new ATOM 1735 N PHE A 116 9.790 10.642 0.412 1.00 0.00 N ATOM 1736 CA PHE A 116 8.963 11.812 0.140 1.00 0.00 C ATOM 1737 C PHE A 116 9.826 13.016 -0.226 1.00 0.00 C ATOM 1738 O PHE A 116 9.674 13.599 -1.299 1.00 0.00 O ATOM 1739 CB PHE A 116 8.095 12.143 1.356 1.00 0.00 C ATOM 1740 CG PHE A 116 7.687 13.587 1.426 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.811 14.119 0.493 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.178 14.412 2.424 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.435 15.447 0.554 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.805 15.741 2.491 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.931 16.259 1.555 1.00 0.00 C ATOM 0 H PHE A 116 9.555 10.150 1.274 1.00 0.00 H new ATOM 0 HA PHE A 116 8.317 11.580 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.200 11.521 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.640 11.883 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.418 13.488 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.861 14.012 3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.754 15.850 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.196 16.374 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.636 17.297 1.606 1.00 0.00 H new ATOM 1755 N SER A 117 10.732 13.382 0.675 1.00 0.00 N ATOM 1756 CA SER A 117 11.617 14.519 0.450 1.00 0.00 C ATOM 1757 C SER A 117 12.329 14.396 -0.894 1.00 0.00 C ATOM 1758 O SER A 117 12.246 15.290 -1.736 1.00 0.00 O ATOM 1759 CB SER A 117 12.647 14.621 1.577 1.00 0.00 C ATOM 1760 OG SER A 117 13.428 15.797 1.450 1.00 0.00 O ATOM 0 H SER A 117 10.872 12.908 1.567 1.00 0.00 H new ATOM 0 HA SER A 117 11.009 15.424 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.137 14.622 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.297 13.746 1.560 1.00 0.00 H new ATOM 0 HG SER A 117 14.077 15.839 2.183 1.00 0.00 H new ATOM 1766 N ASP A 118 13.028 13.283 -1.086 1.00 0.00 N ATOM 1767 CA ASP A 118 13.753 13.040 -2.328 1.00 0.00 C ATOM 1768 C ASP A 118 12.988 13.601 -3.523 1.00 0.00 C ATOM 1769 O ASP A 118 13.516 14.407 -4.287 1.00 0.00 O ATOM 1770 CB ASP A 118 13.995 11.542 -2.518 1.00 0.00 C ATOM 1771 CG ASP A 118 15.217 11.053 -1.766 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.261 11.734 -1.824 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.128 9.987 -1.119 1.00 0.00 O ATOM 0 H ASP A 118 13.108 12.535 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 118 14.714 13.550 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.118 10.990 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.116 11.328 -3.580 1.00 0.00 H new ATOM 1778 N ASN A 119 11.741 13.168 -3.677 1.00 0.00 N ATOM 1779 CA ASN A 119 10.904 13.625 -4.780 1.00 0.00 C ATOM 1780 C ASN A 119 10.207 14.935 -4.426 1.00 0.00 C ATOM 1781 O ASN A 119 10.585 16.001 -4.911 1.00 0.00 O ATOM 1782 CB ASN A 119 9.864 12.560 -5.133 1.00 0.00 C ATOM 1783 CG ASN A 119 9.469 11.718 -3.936 1.00 0.00 C ATOM 1784 OD1 ASN A 119 8.777 12.189 -3.033 1.00 0.00 O ATOM 1785 ND2 ASN A 119 9.908 10.465 -3.923 1.00 0.00 N ATOM 0 H ASN A 119 11.288 12.501 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 119 11.546 13.797 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 119 8.977 13.044 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.262 11.912 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 119 9.674 9.851 -3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.479 10.117 -4.693 1.00 0.00 H new ATOM 1792 N ALA A 120 9.187 14.847 -3.579 1.00 0.00 N ATOM 1793 CA ALA A 120 8.439 16.025 -3.158 1.00 0.00 C ATOM 1794 C ALA A 120 9.374 17.115 -2.645 1.00 0.00 C ATOM 1795 O ALA A 120 10.356 16.848 -1.952 1.00 0.00 O ATOM 1796 CB ALA A 120 7.423 15.651 -2.089 1.00 0.00 C ATOM 0 H ALA A 120 8.860 13.972 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 120 7.909 16.417 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.872 16.540 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.728 14.913 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.940 15.231 -1.226 1.00 0.00 H new ATOM 1802 N PRO A 121 9.064 18.373 -2.991 1.00 0.00 N ATOM 1803 CA PRO A 121 9.865 19.528 -2.576 1.00 0.00 C ATOM 1804 C PRO A 121 9.748 19.807 -1.081 1.00 0.00 C ATOM 1805 O PRO A 121 8.695 20.202 -0.580 1.00 0.00 O ATOM 1806 CB PRO A 121 9.268 20.683 -3.384 1.00 0.00 C ATOM 1807 CG PRO A 121 7.868 20.260 -3.670 1.00 0.00 C ATOM 1808 CD PRO A 121 7.909 18.764 -3.815 1.00 0.00 C ATOM 0 HA PRO A 121 10.929 19.371 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.293 21.615 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.826 20.853 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.198 20.556 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.496 20.730 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.988 18.301 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.038 18.464 -4.855 1.00 0.00 H new ATOM 1816 N PRO A 122 10.854 19.599 -0.351 1.00 0.00 N ATOM 1817 CA PRO A 122 10.900 19.823 1.097 1.00 0.00 C ATOM 1818 C PRO A 122 10.823 21.303 1.457 1.00 0.00 C ATOM 1819 O PRO A 122 10.982 22.182 0.610 1.00 0.00 O ATOM 1820 CB PRO A 122 12.258 19.245 1.502 1.00 0.00 C ATOM 1821 CG PRO A 122 13.090 19.330 0.269 1.00 0.00 C ATOM 1822 CD PRO A 122 12.144 19.129 -0.883 1.00 0.00 C ATOM 0 HA PRO A 122 10.055 19.361 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 122 12.702 19.813 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 122 12.163 18.215 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 122 13.589 20.297 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.870 18.569 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.450 19.701 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 122 12.097 18.083 -1.186 1.00 0.00 H new ATOM 1830 N PRO A 123 10.572 21.587 2.744 1.00 0.00 N ATOM 1831 CA PRO A 123 10.469 22.960 3.245 1.00 0.00 C ATOM 1832 C PRO A 123 11.814 23.680 3.246 1.00 0.00 C ATOM 1833 O PRO A 123 12.864 23.050 3.133 1.00 0.00 O ATOM 1834 CB PRO A 123 9.959 22.778 4.677 1.00 0.00 C ATOM 1835 CG PRO A 123 10.406 21.411 5.067 1.00 0.00 C ATOM 1836 CD PRO A 123 10.371 20.589 3.808 1.00 0.00 C ATOM 0 HA PRO A 123 9.819 23.573 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 123 10.372 23.535 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 123 8.874 22.869 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 123 11.410 21.435 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 123 9.750 20.988 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 123 11.154 19.831 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.421 20.067 3.695 1.00 0.00 H new ATOM 1844 N GLU A 124 11.772 25.002 3.375 1.00 0.00 N ATOM 1845 CA GLU A 124 12.988 25.806 3.391 1.00 0.00 C ATOM 1846 C GLU A 124 13.937 25.337 4.490 1.00 0.00 C ATOM 1847 O GLU A 124 13.831 25.762 5.641 1.00 0.00 O ATOM 1848 CB GLU A 124 12.647 27.284 3.593 1.00 0.00 C ATOM 1849 CG GLU A 124 13.649 28.233 2.957 1.00 0.00 C ATOM 1850 CD GLU A 124 15.068 27.985 3.429 1.00 0.00 C ATOM 1851 OE1 GLU A 124 15.643 26.940 3.057 1.00 0.00 O ATOM 1852 OE2 GLU A 124 15.605 28.835 4.170 1.00 0.00 O ATOM 0 H GLU A 124 10.910 25.539 3.470 1.00 0.00 H new ATOM 0 HA GLU A 124 13.485 25.684 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.659 27.480 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.590 27.492 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.607 28.127 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.368 29.260 3.188 1.00 0.00 H new ATOM 1859 N LEU A 125 14.864 24.457 4.127 1.00 0.00 N ATOM 1860 CA LEU A 125 15.832 23.929 5.082 1.00 0.00 C ATOM 1861 C LEU A 125 17.048 23.353 4.362 1.00 0.00 C ATOM 1862 O LEU A 125 16.981 23.018 3.179 1.00 0.00 O ATOM 1863 CB LEU A 125 15.183 22.852 5.953 1.00 0.00 C ATOM 1864 CG LEU A 125 15.056 21.465 5.322 1.00 0.00 C ATOM 1865 CD1 LEU A 125 16.297 20.633 5.605 1.00 0.00 C ATOM 1866 CD2 LEU A 125 13.810 20.758 5.836 1.00 0.00 C ATOM 0 H LEU A 125 14.966 24.094 3.179 1.00 0.00 H new ATOM 0 HA LEU A 125 16.164 24.750 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.761 22.759 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.187 23.193 6.236 1.00 0.00 H new ATOM 0 HG LEU A 125 14.963 21.586 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.188 19.650 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.172 21.132 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.422 20.521 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.735 19.772 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.874 20.650 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.927 21.345 5.581 1.00 0.00 H new ATOM 1878 N LEU A 126 18.157 23.237 5.085 1.00 0.00 N ATOM 1879 CA LEU A 126 19.387 22.698 4.516 1.00 0.00 C ATOM 1880 C LEU A 126 19.141 21.336 3.876 1.00 0.00 C ATOM 1881 O LEU A 126 19.350 20.299 4.504 1.00 0.00 O ATOM 1882 CB LEU A 126 20.463 22.580 5.598 1.00 0.00 C ATOM 1883 CG LEU A 126 21.134 23.887 6.023 1.00 0.00 C ATOM 1884 CD1 LEU A 126 20.335 24.563 7.126 1.00 0.00 C ATOM 1885 CD2 LEU A 126 22.563 23.629 6.478 1.00 0.00 C ATOM 0 H LEU A 126 18.229 23.509 6.065 1.00 0.00 H new ATOM 0 HA LEU A 126 19.732 23.384 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 126 20.015 22.122 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 126 21.235 21.898 5.242 1.00 0.00 H new ATOM 0 HG LEU A 126 21.163 24.555 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 126 20.828 25.491 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 126 19.330 24.783 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 126 20.274 23.900 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 126 23.025 24.570 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 126 22.557 22.943 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 126 23.132 23.189 5.659 1.00 0.00 H new ATOM 1897 N GLU A 127 18.698 21.347 2.623 1.00 0.00 N ATOM 1898 CA GLU A 127 18.425 20.112 1.899 1.00 0.00 C ATOM 1899 C GLU A 127 19.518 19.078 2.155 1.00 0.00 C ATOM 1900 O GLU A 127 20.650 19.426 2.491 1.00 0.00 O ATOM 1901 CB GLU A 127 18.311 20.389 0.398 1.00 0.00 C ATOM 1902 CG GLU A 127 16.905 20.749 -0.049 1.00 0.00 C ATOM 1903 CD GLU A 127 16.489 22.138 0.396 1.00 0.00 C ATOM 1904 OE1 GLU A 127 17.107 23.119 -0.068 1.00 0.00 O ATOM 1905 OE2 GLU A 127 15.546 22.243 1.208 1.00 0.00 O ATOM 0 H GLU A 127 18.521 22.197 2.089 1.00 0.00 H new ATOM 0 HA GLU A 127 17.478 19.711 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 127 18.986 21.203 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 127 18.644 19.509 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 127 16.846 20.687 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 127 16.202 20.018 0.351 1.00 0.00 H new ATOM 1912 N SER A 128 19.171 17.805 1.993 1.00 0.00 N ATOM 1913 CA SER A 128 20.120 16.720 2.211 1.00 0.00 C ATOM 1914 C SER A 128 19.560 15.397 1.698 1.00 0.00 C ATOM 1915 O SER A 128 18.352 15.250 1.519 1.00 0.00 O ATOM 1916 CB SER A 128 20.458 16.601 3.698 1.00 0.00 C ATOM 1917 OG SER A 128 19.282 16.544 4.486 1.00 0.00 O ATOM 0 H SER A 128 18.239 17.500 1.711 1.00 0.00 H new ATOM 0 HA SER A 128 21.030 16.949 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 128 21.057 15.706 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 128 21.064 17.453 4.005 1.00 0.00 H new ATOM 0 HG SER A 128 19.526 16.466 5.432 1.00 0.00 H new ATOM 1923 N GLY A 129 20.449 14.437 1.463 1.00 0.00 N ATOM 1924 CA GLY A 129 20.025 13.138 0.972 1.00 0.00 C ATOM 1925 C GLY A 129 20.845 12.671 -0.215 1.00 0.00 C ATOM 1926 O GLY A 129 20.430 12.789 -1.368 1.00 0.00 O ATOM 0 H GLY A 129 21.455 14.535 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 129 20.105 12.406 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 129 18.974 13.186 0.687 1.00 0.00 H new ATOM 1930 N PRO A 130 22.040 12.129 0.063 1.00 0.00 N ATOM 1931 CA PRO A 130 22.945 11.633 -0.978 1.00 0.00 C ATOM 1932 C PRO A 130 22.418 10.370 -1.651 1.00 0.00 C ATOM 1933 O PRO A 130 22.920 9.957 -2.697 1.00 0.00 O ATOM 1934 CB PRO A 130 24.235 11.331 -0.212 1.00 0.00 C ATOM 1935 CG PRO A 130 23.793 11.072 1.187 1.00 0.00 C ATOM 1936 CD PRO A 130 22.598 11.956 1.415 1.00 0.00 C ATOM 0 HA PRO A 130 23.071 12.354 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 130 24.751 10.467 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 130 24.929 12.170 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 130 23.534 10.022 1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 130 24.589 11.301 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 130 21.879 11.493 2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.883 12.911 1.858 1.00 0.00 H new ATOM 1944 N SER A 131 21.403 9.761 -1.045 1.00 0.00 N ATOM 1945 CA SER A 131 20.811 8.543 -1.585 1.00 0.00 C ATOM 1946 C SER A 131 19.853 8.866 -2.728 1.00 0.00 C ATOM 1947 O SER A 131 18.944 9.682 -2.579 1.00 0.00 O ATOM 1948 CB SER A 131 20.071 7.780 -0.485 1.00 0.00 C ATOM 1949 OG SER A 131 20.944 7.452 0.583 1.00 0.00 O ATOM 0 H SER A 131 20.974 10.091 -0.180 1.00 0.00 H new ATOM 0 HA SER A 131 21.615 7.918 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.245 8.385 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 131 19.638 6.869 -0.898 1.00 0.00 H new ATOM 0 HG SER A 131 20.447 6.966 1.274 1.00 0.00 H new ATOM 1955 N SER A 132 20.063 8.217 -3.869 1.00 0.00 N ATOM 1956 CA SER A 132 19.222 8.437 -5.039 1.00 0.00 C ATOM 1957 C SER A 132 19.465 7.361 -6.093 1.00 0.00 C ATOM 1958 O SER A 132 20.597 7.138 -6.519 1.00 0.00 O ATOM 1959 CB SER A 132 19.491 9.820 -5.635 1.00 0.00 C ATOM 1960 OG SER A 132 18.700 10.040 -6.790 1.00 0.00 O ATOM 0 H SER A 132 20.808 7.535 -4.008 1.00 0.00 H new ATOM 0 HA SER A 132 18.181 8.382 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 132 19.276 10.588 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.547 9.910 -5.891 1.00 0.00 H new ATOM 0 HG SER A 132 18.889 10.931 -7.151 1.00 0.00 H new ATOM 1966 N GLY A 133 18.391 6.695 -6.509 1.00 0.00 N ATOM 1967 CA GLY A 133 18.508 5.649 -7.509 1.00 0.00 C ATOM 1968 C GLY A 133 18.249 4.269 -6.938 1.00 0.00 C ATOM 1969 O GLY A 133 19.073 3.731 -6.199 1.00 0.00 O ATOM 0 H GLY A 133 17.443 6.861 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.803 5.843 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 133 19.507 5.677 -7.944 1.00 0.00 H new TER 1973 GLY A 133