USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HD1:sc= -0.271 X(o=-3.2,f=-3.6) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 33 ASN : amide:sc= -2.97! C(o=-3.2!,f=-3.7!) USER MOD Set 2.1: A 14 CYS SG : rot 74:sc= 0.857! USER MOD Set 2.2: A 23 CYS SG : rot 62:sc= 1.52 USER MOD Set 2.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0.782 (180deg=0.369) USER MOD Single : A 2 SER OG : rot -151:sc= 0.555 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 138:sc= -0.346 (180deg=-0.808) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.201 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.81 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0728 (180deg=-1.01) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 76:sc= -1.13 USER MOD Single : A 27 SER OG : rot 140:sc= -0.0196 USER MOD Single : A 30 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0608 (180deg=-0.434) USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.914 USER MOD Single : A 71 GLN : amide:sc= 0.437 K(o=0.44,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.814 10.891 4.292 1.00100.00 N ATOM 2 CA GLY A 1 -20.566 10.147 4.028 1.00100.00 C ATOM 3 C GLY A 1 -19.669 11.000 3.198 1.00100.00 C ATOM 4 O GLY A 1 -19.834 11.057 1.979 1.00100.00 O ATOM 0 H1 GLY A 1 -22.593 10.219 4.445 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.694 11.481 5.140 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.035 11.498 3.477 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.077 9.885 4.966 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.785 9.213 3.510 1.00100.00 H new ATOM 10 N SER A 2 -18.551 11.442 3.826 1.00100.00 N ATOM 11 CA SER A 2 -17.544 12.294 3.233 1.00100.00 C ATOM 12 C SER A 2 -18.154 13.555 2.657 1.00100.00 C ATOM 13 O SER A 2 -17.935 13.891 1.493 1.00100.00 O ATOM 14 CB SER A 2 -16.649 11.551 2.197 1.00100.00 C ATOM 15 OG SER A 2 -15.549 12.360 1.847 1.00100.00 O ATOM 0 H SER A 2 -18.338 11.194 4.792 1.00100.00 H new ATOM 0 HA SER A 2 -16.876 12.591 4.042 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.299 10.607 2.616 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.231 11.309 1.308 1.00100.00 H new ATOM 0 HG SER A 2 -15.260 12.143 0.936 1.00100.00 H new ATOM 21 N THR A 3 -18.961 14.269 3.495 1.00100.00 N ATOM 22 CA THR A 3 -19.686 15.496 3.203 1.00100.00 C ATOM 23 C THR A 3 -20.876 15.203 2.322 1.00100.00 C ATOM 24 O THR A 3 -22.006 15.529 2.688 1.00100.00 O ATOM 25 CB THR A 3 -18.824 16.625 2.640 1.00100.00 C ATOM 26 OG1 THR A 3 -17.764 16.891 3.531 1.00100.00 O ATOM 27 CG2 THR A 3 -19.656 17.893 2.455 1.00100.00 C ATOM 0 H THR A 3 -19.118 13.962 4.455 1.00100.00 H new ATOM 0 HA THR A 3 -20.036 15.877 4.162 1.00100.00 H new ATOM 0 HB THR A 3 -18.431 16.317 1.671 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.208 17.614 3.172 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.026 18.686 2.053 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.474 17.694 1.763 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.063 18.205 3.417 1.00100.00 H new ATOM 35 N ALA A 4 -20.649 14.542 1.165 1.00100.00 N ATOM 36 CA ALA A 4 -21.665 14.163 0.221 1.00100.00 C ATOM 37 C ALA A 4 -22.472 13.036 0.794 1.00100.00 C ATOM 38 O ALA A 4 -22.129 12.455 1.825 1.00100.00 O ATOM 39 CB ALA A 4 -21.088 13.684 -1.124 1.00100.00 C ATOM 0 H ALA A 4 -19.713 14.259 0.875 1.00100.00 H new ATOM 0 HA ALA A 4 -22.269 15.051 0.037 1.00100.00 H new ATOM 0 HB1 ALA A 4 -21.904 13.412 -1.794 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.501 14.485 -1.574 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.450 12.816 -0.958 1.00100.00 H new ATOM 45 N MET A 5 -23.620 12.734 0.157 1.00100.00 N ATOM 46 CA MET A 5 -24.478 11.676 0.607 1.00100.00 C ATOM 47 C MET A 5 -23.946 10.399 0.011 1.00100.00 C ATOM 48 O MET A 5 -24.191 10.153 -1.170 1.00100.00 O ATOM 49 CB MET A 5 -25.940 11.860 0.143 1.00100.00 C ATOM 50 CG MET A 5 -26.591 13.082 0.795 1.00100.00 C ATOM 51 SD MET A 5 -25.863 14.689 0.375 1.00100.00 S ATOM 52 CE MET A 5 -26.045 14.645 -1.426 1.00100.00 C ATOM 0 H MET A 5 -23.956 13.224 -0.672 1.00100.00 H new ATOM 0 HA MET A 5 -24.483 11.666 1.697 1.00100.00 H new ATOM 0 HB2 MET A 5 -25.967 11.968 -0.941 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.515 10.967 0.388 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.645 13.099 0.517 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.548 12.958 1.877 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.376 15.620 -1.782 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.087 14.398 -1.883 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.782 13.890 -1.699 1.00100.00 H new ATOM 62 N ALA A 6 -22.819 9.930 0.611 1.00100.00 N ATOM 63 CA ALA A 6 -22.083 8.728 0.287 1.00100.00 C ATOM 64 C ALA A 6 -21.718 8.604 -1.177 1.00100.00 C ATOM 65 O ALA A 6 -21.783 7.526 -1.773 1.00100.00 O ATOM 66 CB ALA A 6 -22.787 7.451 0.802 1.00100.00 C ATOM 0 H ALA A 6 -22.390 10.435 1.386 1.00100.00 H new ATOM 0 HA ALA A 6 -21.139 8.828 0.822 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.195 6.576 0.534 1.00100.00 H new ATOM 0 HB2 ALA A 6 -22.887 7.503 1.886 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.776 7.373 0.350 1.00100.00 H new ATOM 72 N THR A 7 -21.327 9.757 -1.772 1.00100.00 N ATOM 73 CA THR A 7 -20.919 9.943 -3.147 1.00100.00 C ATOM 74 C THR A 7 -21.889 9.444 -4.200 1.00100.00 C ATOM 75 O THR A 7 -21.497 8.957 -5.263 1.00100.00 O ATOM 76 CB THR A 7 -19.492 9.510 -3.428 1.00100.00 C ATOM 77 OG1 THR A 7 -19.313 8.140 -3.141 1.00100.00 O ATOM 78 CG2 THR A 7 -18.593 10.363 -2.531 1.00100.00 C ATOM 0 H THR A 7 -21.293 10.632 -1.248 1.00100.00 H new ATOM 0 HA THR A 7 -20.946 11.028 -3.251 1.00100.00 H new ATOM 0 HB THR A 7 -19.248 9.648 -4.481 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.562 7.791 -3.666 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.551 10.090 -2.695 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.734 11.417 -2.771 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.853 10.191 -1.486 1.00100.00 H new ATOM 86 N THR A 8 -23.201 9.599 -3.921 1.00100.00 N ATOM 87 CA THR A 8 -24.284 9.209 -4.790 1.00100.00 C ATOM 88 C THR A 8 -24.317 10.030 -6.062 1.00100.00 C ATOM 89 O THR A 8 -24.525 9.478 -7.144 1.00100.00 O ATOM 90 CB THR A 8 -25.628 9.284 -4.078 1.00100.00 C ATOM 91 OG1 THR A 8 -25.604 8.432 -2.953 1.00100.00 O ATOM 92 CG2 THR A 8 -26.761 8.847 -5.005 1.00100.00 C ATOM 0 H THR A 8 -23.525 10.016 -3.048 1.00100.00 H new ATOM 0 HA THR A 8 -24.099 8.171 -5.067 1.00100.00 H new ATOM 0 HB THR A 8 -25.802 10.316 -3.773 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.137 8.877 -2.215 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.711 8.909 -4.473 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.790 9.500 -5.877 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.592 7.819 -5.327 1.00100.00 H new ATOM 100 N MET A 9 -24.034 11.352 -5.951 1.00100.00 N ATOM 101 CA MET A 9 -24.099 12.301 -7.039 1.00100.00 C ATOM 102 C MET A 9 -23.204 11.969 -8.210 1.00100.00 C ATOM 103 O MET A 9 -23.698 11.948 -9.339 1.00100.00 O ATOM 104 CB MET A 9 -23.801 13.723 -6.512 1.00100.00 C ATOM 105 CG MET A 9 -24.052 14.793 -7.572 1.00100.00 C ATOM 106 SD MET A 9 -25.793 15.066 -7.987 1.00100.00 S ATOM 107 CE MET A 9 -25.865 14.192 -9.570 1.00100.00 C ATOM 0 H MET A 9 -23.749 11.777 -5.069 1.00100.00 H new ATOM 0 HA MET A 9 -25.115 12.248 -7.429 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.424 13.924 -5.640 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.764 13.777 -6.182 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.625 15.734 -7.225 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.517 14.516 -8.480 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.718 14.552 -10.146 1.00100.00 H new ATOM 0 HE2 MET A 9 -24.947 14.375 -10.129 1.00100.00 H new ATOM 0 HE3 MET A 9 -25.974 13.122 -9.390 1.00100.00 H new ATOM 117 N GLU A 10 -21.930 11.570 -7.961 1.00100.00 N ATOM 118 CA GLU A 10 -20.971 11.179 -8.981 1.00100.00 C ATOM 119 C GLU A 10 -20.721 12.196 -10.084 1.00100.00 C ATOM 120 O GLU A 10 -20.512 11.822 -11.244 1.00100.00 O ATOM 121 CB GLU A 10 -21.336 9.813 -9.643 1.00100.00 C ATOM 122 CG GLU A 10 -21.397 8.716 -8.582 1.00100.00 C ATOM 123 CD GLU A 10 -21.673 7.355 -9.211 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.545 7.304 -10.104 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.005 6.389 -8.783 1.00100.00 O ATOM 0 H GLU A 10 -21.550 11.516 -7.016 1.00100.00 H new ATOM 0 HA GLU A 10 -20.044 11.099 -8.412 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.297 9.892 -10.152 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.595 9.557 -10.400 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.455 8.682 -8.035 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.177 8.950 -7.858 1.00100.00 H new ATOM 132 N GLN A 11 -20.696 13.511 -9.759 1.00100.00 N ATOM 133 CA GLN A 11 -20.450 14.498 -10.789 1.00100.00 C ATOM 134 C GLN A 11 -19.089 15.142 -10.642 1.00100.00 C ATOM 135 O GLN A 11 -18.837 16.206 -11.213 1.00100.00 O ATOM 136 CB GLN A 11 -21.545 15.590 -10.957 1.00100.00 C ATOM 137 CG GLN A 11 -21.706 16.444 -9.707 1.00100.00 C ATOM 138 CD GLN A 11 -22.807 17.485 -9.872 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.312 17.704 -10.972 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.179 18.133 -8.764 1.00100.00 N ATOM 0 H GLN A 11 -20.840 13.885 -8.821 1.00100.00 H new ATOM 0 HA GLN A 11 -20.484 13.913 -11.708 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.290 16.230 -11.801 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.496 15.114 -11.194 1.00100.00 H new ATOM 0 HG2 GLN A 11 -21.936 15.803 -8.856 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.763 16.944 -9.484 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.732 17.918 -7.873 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.910 18.843 -8.809 1.00100.00 H new ATOM 149 N GLU A 12 -18.161 14.469 -9.916 1.00100.00 N ATOM 150 CA GLU A 12 -16.816 14.925 -9.645 1.00100.00 C ATOM 151 C GLU A 12 -16.742 16.279 -8.981 1.00100.00 C ATOM 152 O GLU A 12 -16.148 17.228 -9.501 1.00100.00 O ATOM 153 CB GLU A 12 -15.855 14.831 -10.860 1.00100.00 C ATOM 154 CG GLU A 12 -15.710 13.382 -11.321 1.00100.00 C ATOM 155 CD GLU A 12 -14.709 13.249 -12.463 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.925 14.203 -12.660 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.742 12.186 -13.118 1.00100.00 O ATOM 0 H GLU A 12 -18.359 13.560 -9.496 1.00100.00 H new ATOM 0 HA GLU A 12 -16.454 14.205 -8.911 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.235 15.442 -11.679 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.878 15.232 -10.589 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.389 12.764 -10.482 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.680 13.004 -11.642 1.00100.00 H new ATOM 164 N ILE A 13 -17.407 16.388 -7.806 1.00100.00 N ATOM 165 CA ILE A 13 -17.408 17.618 -7.053 1.00100.00 C ATOM 166 C ILE A 13 -16.521 17.507 -5.841 1.00100.00 C ATOM 167 O ILE A 13 -16.616 16.572 -5.043 1.00100.00 O ATOM 168 CB ILE A 13 -18.774 18.154 -6.640 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.625 17.177 -5.813 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.488 18.608 -7.908 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.953 15.855 -6.508 1.00100.00 C ATOM 0 H ILE A 13 -17.941 15.631 -7.379 1.00100.00 H new ATOM 0 HA ILE A 13 -17.017 18.351 -7.759 1.00100.00 H new ATOM 0 HB ILE A 13 -18.621 18.989 -5.956 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.100 16.960 -4.882 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.559 17.670 -5.545 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.472 18.999 -7.651 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.903 19.388 -8.395 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.599 17.762 -8.586 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.556 15.235 -5.845 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.509 16.054 -7.424 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.028 15.333 -6.751 1.00100.00 H new ATOM 183 N CYS A 14 -15.569 18.459 -5.754 1.00100.00 N ATOM 184 CA CYS A 14 -14.613 18.575 -4.683 1.00100.00 C ATOM 185 C CYS A 14 -14.019 19.954 -4.756 1.00100.00 C ATOM 186 O CYS A 14 -14.203 20.690 -5.730 1.00100.00 O ATOM 187 CB CYS A 14 -13.434 17.575 -4.757 1.00100.00 C ATOM 188 SG CYS A 14 -12.383 17.605 -3.282 1.00100.00 S ATOM 0 H CYS A 14 -15.458 19.184 -6.463 1.00100.00 H new ATOM 0 HA CYS A 14 -15.155 18.366 -3.761 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.828 16.568 -4.895 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.827 17.803 -5.633 1.00100.00 H new ATOM 0 HG CYS A 14 -12.999 17.019 -2.298 1.00100.00 H new ATOM 193 N ALA A 15 -13.267 20.319 -3.695 1.00100.00 N ATOM 194 CA ALA A 15 -12.578 21.569 -3.549 1.00100.00 C ATOM 195 C ALA A 15 -11.552 21.716 -4.646 1.00100.00 C ATOM 196 O ALA A 15 -11.379 22.815 -5.172 1.00100.00 O ATOM 197 CB ALA A 15 -11.867 21.664 -2.194 1.00100.00 C ATOM 0 H ALA A 15 -13.133 19.704 -2.893 1.00100.00 H new ATOM 0 HA ALA A 15 -13.320 22.365 -3.611 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.356 22.624 -2.118 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.600 21.579 -1.392 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.139 20.857 -2.108 1.00100.00 H new ATOM 203 N HIS A 16 -10.850 20.608 -5.010 1.00100.00 N ATOM 204 CA HIS A 16 -9.865 20.661 -6.053 1.00100.00 C ATOM 205 C HIS A 16 -10.546 20.307 -7.355 1.00100.00 C ATOM 206 O HIS A 16 -10.798 21.213 -8.150 1.00100.00 O ATOM 207 CB HIS A 16 -8.682 19.709 -5.775 1.00100.00 C ATOM 208 CG HIS A 16 -7.517 19.855 -6.711 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.563 20.846 -6.673 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.173 18.980 -7.704 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.664 20.566 -7.634 1.00100.00 C ATOM 212 NE2 HIS A 16 -5.991 19.440 -8.290 1.00100.00 N ATOM 0 H HIS A 16 -10.968 19.689 -4.583 1.00100.00 H new ATOM 0 HA HIS A 16 -9.446 21.666 -6.104 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.333 19.875 -4.756 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.042 18.682 -5.825 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.718 18.091 -7.985 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.793 21.168 -7.850 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.480 19.008 -9.060 1.00100.00 H new ATOM 220 N SER A 17 -10.879 19.003 -7.599 1.00100.00 N ATOM 221 CA SER A 17 -11.516 18.630 -8.840 1.00100.00 C ATOM 222 C SER A 17 -12.314 17.355 -8.809 1.00100.00 C ATOM 223 O SER A 17 -13.396 17.295 -9.392 1.00100.00 O ATOM 224 CB SER A 17 -10.506 18.491 -10.014 1.00100.00 C ATOM 225 OG SER A 17 -9.581 17.460 -9.741 1.00100.00 O ATOM 0 H SER A 17 -10.710 18.232 -6.953 1.00100.00 H new ATOM 0 HA SER A 17 -12.203 19.462 -8.993 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.040 18.275 -10.939 1.00100.00 H new ATOM 0 HB3 SER A 17 -9.978 19.433 -10.163 1.00100.00 H new ATOM 0 HG SER A 17 -8.951 17.380 -10.487 1.00100.00 H new ATOM 231 N MET A 18 -11.802 16.322 -8.101 1.00100.00 N ATOM 232 CA MET A 18 -12.386 15.001 -8.036 1.00100.00 C ATOM 233 C MET A 18 -13.555 14.833 -7.104 1.00100.00 C ATOM 234 O MET A 18 -14.341 15.768 -6.991 1.00100.00 O ATOM 235 CB MET A 18 -11.304 13.926 -7.786 1.00100.00 C ATOM 236 CG MET A 18 -10.211 14.015 -8.847 1.00100.00 C ATOM 237 SD MET A 18 -10.819 13.783 -10.537 1.00100.00 S ATOM 238 CE MET A 18 -9.281 14.121 -11.428 1.00100.00 C ATOM 0 H MET A 18 -10.947 16.407 -7.551 1.00100.00 H new ATOM 0 HA MET A 18 -12.825 14.858 -9.024 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.870 14.061 -6.795 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.757 12.935 -7.803 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.725 14.988 -8.775 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.451 13.263 -8.637 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.453 14.027 -12.500 1.00100.00 H new ATOM 0 HE2 MET A 18 -8.945 15.133 -11.202 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.517 13.407 -11.119 1.00100.00 H new ATOM 248 N THR A 19 -14.025 13.567 -6.978 1.00100.00 N ATOM 249 CA THR A 19 -15.143 13.184 -6.145 1.00100.00 C ATOM 250 C THR A 19 -14.782 13.253 -4.684 1.00100.00 C ATOM 251 O THR A 19 -13.603 13.297 -4.329 1.00100.00 O ATOM 252 CB THR A 19 -15.629 11.769 -6.417 1.00100.00 C ATOM 253 OG1 THR A 19 -14.585 10.854 -6.168 1.00100.00 O ATOM 254 CG2 THR A 19 -16.094 11.632 -7.866 1.00100.00 C ATOM 0 H THR A 19 -13.611 12.779 -7.475 1.00100.00 H new ATOM 0 HA THR A 19 -15.935 13.892 -6.390 1.00100.00 H new ATOM 0 HB THR A 19 -16.470 11.555 -5.757 1.00100.00 H new ATOM 0 HG1 THR A 19 -14.900 9.943 -6.342 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.438 10.613 -8.043 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.911 12.329 -8.053 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.265 11.856 -8.537 1.00100.00 H new ATOM 262 N PHE A 20 -15.811 13.264 -3.798 1.00100.00 N ATOM 263 CA PHE A 20 -15.603 13.294 -2.367 1.00100.00 C ATOM 264 C PHE A 20 -14.878 12.077 -1.849 1.00100.00 C ATOM 265 O PHE A 20 -14.262 12.149 -0.784 1.00100.00 O ATOM 266 CB PHE A 20 -16.854 13.564 -1.515 1.00100.00 C ATOM 267 CG PHE A 20 -17.173 15.040 -1.479 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.375 15.895 -0.707 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.223 15.563 -2.245 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.632 17.272 -0.689 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.490 16.939 -2.216 1.00100.00 C ATOM 272 CZ PHE A 20 -17.693 17.793 -1.441 1.00100.00 C ATOM 0 H PHE A 20 -16.793 13.252 -4.075 1.00100.00 H new ATOM 0 HA PHE A 20 -14.964 14.168 -2.244 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.702 13.014 -1.923 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.694 13.197 -0.501 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.560 15.491 -0.125 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.825 14.908 -2.857 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.014 17.930 -0.097 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.311 17.341 -2.791 1.00100.00 H new ATOM 0 HZ PHE A 20 -17.897 18.853 -1.424 1.00100.00 H new ATOM 282 N GLU A 21 -14.936 10.933 -2.580 1.00100.00 N ATOM 283 CA GLU A 21 -14.223 9.721 -2.228 1.00100.00 C ATOM 284 C GLU A 21 -12.740 10.021 -2.294 1.00100.00 C ATOM 285 O GLU A 21 -11.977 9.628 -1.410 1.00100.00 O ATOM 286 CB GLU A 21 -14.459 8.567 -3.222 1.00100.00 C ATOM 287 CG GLU A 21 -15.941 8.277 -3.441 1.00100.00 C ATOM 288 CD GLU A 21 -16.142 7.005 -4.255 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.340 6.791 -5.189 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.100 6.271 -3.929 1.00100.00 O ATOM 0 H GLU A 21 -15.489 10.847 -3.433 1.00100.00 H new ATOM 0 HA GLU A 21 -14.577 9.419 -1.242 1.00100.00 H new ATOM 0 HB2 GLU A 21 -13.996 8.814 -4.177 1.00100.00 H new ATOM 0 HB3 GLU A 21 -13.967 7.667 -2.852 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.440 8.177 -2.477 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.406 9.118 -3.956 1.00100.00 H new ATOM 297 N GLU A 22 -12.329 10.770 -3.348 1.00100.00 N ATOM 298 CA GLU A 22 -10.966 11.162 -3.594 1.00100.00 C ATOM 299 C GLU A 22 -10.660 12.540 -3.050 1.00100.00 C ATOM 300 O GLU A 22 -9.580 13.074 -3.310 1.00100.00 O ATOM 301 CB GLU A 22 -10.606 11.120 -5.101 1.00100.00 C ATOM 302 CG GLU A 22 -10.690 9.694 -5.642 1.00100.00 C ATOM 303 CD GLU A 22 -9.676 8.779 -4.964 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.553 9.263 -4.700 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.041 7.608 -4.726 1.00100.00 O ATOM 0 H GLU A 22 -12.976 11.116 -4.057 1.00100.00 H new ATOM 0 HA GLU A 22 -10.354 10.431 -3.066 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.284 11.765 -5.659 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.599 11.511 -5.250 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.696 9.303 -5.486 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.514 9.701 -6.718 1.00100.00 H new ATOM 312 N CYS A 23 -11.583 13.139 -2.247 1.00100.00 N ATOM 313 CA CYS A 23 -11.418 14.452 -1.666 1.00100.00 C ATOM 314 C CYS A 23 -10.201 14.526 -0.777 1.00100.00 C ATOM 315 O CYS A 23 -9.508 15.537 -0.899 1.00100.00 O ATOM 316 CB CYS A 23 -12.644 14.979 -0.886 1.00100.00 C ATOM 317 SG CYS A 23 -12.294 16.601 -0.162 1.00100.00 S ATOM 0 H CYS A 23 -12.467 12.696 -1.997 1.00100.00 H new ATOM 0 HA CYS A 23 -11.292 15.101 -2.532 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.502 15.051 -1.554 1.00100.00 H new ATOM 0 HB3 CYS A 23 -12.911 14.274 -0.099 1.00100.00 H new ATOM 0 HG CYS A 23 -12.048 17.456 -1.110 1.00100.00 H new ATOM 322 N PRO A 24 -9.867 13.529 0.118 1.00100.00 N ATOM 323 CA PRO A 24 -8.666 13.599 0.928 1.00100.00 C ATOM 324 C PRO A 24 -7.424 13.664 0.075 1.00100.00 C ATOM 325 O PRO A 24 -6.493 14.376 0.454 1.00100.00 O ATOM 326 CB PRO A 24 -8.690 12.377 1.838 1.00100.00 C ATOM 327 CG PRO A 24 -10.168 11.981 1.860 1.00100.00 C ATOM 328 CD PRO A 24 -10.666 12.376 0.471 1.00100.00 C ATOM 0 HA PRO A 24 -8.643 14.512 1.524 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.064 11.574 1.449 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.322 12.612 2.837 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.295 10.914 2.043 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.712 12.506 2.645 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.532 11.565 -0.245 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.729 12.618 0.484 1.00100.00 H new ATOM 336 N LYS A 25 -7.406 12.919 -1.064 1.00100.00 N ATOM 337 CA LYS A 25 -6.309 12.891 -1.999 1.00100.00 C ATOM 338 C LYS A 25 -6.128 14.254 -2.614 1.00100.00 C ATOM 339 O LYS A 25 -5.009 14.757 -2.684 1.00100.00 O ATOM 340 CB LYS A 25 -6.545 11.909 -3.165 1.00100.00 C ATOM 341 CG LYS A 25 -5.337 11.873 -4.103 1.00100.00 C ATOM 342 CD LYS A 25 -5.598 10.932 -5.277 1.00100.00 C ATOM 343 CE LYS A 25 -6.692 11.511 -6.173 1.00100.00 C ATOM 344 NZ LYS A 25 -6.956 10.630 -7.321 1.00100.00 N ATOM 0 H LYS A 25 -8.183 12.318 -1.339 1.00100.00 H new ATOM 0 HA LYS A 25 -5.434 12.574 -1.431 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.735 10.910 -2.772 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.434 12.206 -3.722 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.127 12.876 -4.474 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.454 11.544 -3.555 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.682 10.790 -5.851 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.899 9.951 -4.909 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.607 11.645 -5.595 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.392 12.497 -6.528 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.703 11.046 -7.913 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.088 10.523 -7.883 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.265 9.698 -6.979 1.00100.00 H new ATOM 358 N CYS A 26 -7.252 14.888 -3.030 1.00100.00 N ATOM 359 CA CYS A 26 -7.281 16.191 -3.645 1.00100.00 C ATOM 360 C CYS A 26 -6.756 17.235 -2.705 1.00100.00 C ATOM 361 O CYS A 26 -5.989 18.114 -3.112 1.00100.00 O ATOM 362 CB CYS A 26 -8.701 16.590 -4.070 1.00100.00 C ATOM 363 SG CYS A 26 -9.205 15.621 -5.511 1.00100.00 S ATOM 0 H CYS A 26 -8.179 14.474 -2.933 1.00100.00 H new ATOM 0 HA CYS A 26 -6.648 16.132 -4.531 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.397 16.424 -3.247 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.734 17.654 -4.306 1.00100.00 H new ATOM 0 HG CYS A 26 -9.509 14.414 -5.137 1.00100.00 H new ATOM 369 N SER A 27 -7.163 17.132 -1.416 1.00100.00 N ATOM 370 CA SER A 27 -6.753 18.029 -0.379 1.00100.00 C ATOM 371 C SER A 27 -5.276 17.929 -0.164 1.00100.00 C ATOM 372 O SER A 27 -4.607 18.952 -0.083 1.00100.00 O ATOM 373 CB SER A 27 -7.455 17.766 0.952 1.00100.00 C ATOM 374 OG SER A 27 -7.123 18.782 1.870 1.00100.00 O ATOM 0 H SER A 27 -7.796 16.401 -1.092 1.00100.00 H new ATOM 0 HA SER A 27 -7.031 19.028 -0.714 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.535 17.733 0.805 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.157 16.794 1.346 1.00100.00 H new ATOM 0 HG SER A 27 -7.917 19.026 2.389 1.00100.00 H new ATOM 380 N ALA A 28 -4.742 16.691 -0.116 1.00100.00 N ATOM 381 CA ALA A 28 -3.342 16.430 0.076 1.00100.00 C ATOM 382 C ALA A 28 -2.505 16.956 -1.055 1.00100.00 C ATOM 383 O ALA A 28 -1.430 17.514 -0.827 1.00100.00 O ATOM 384 CB ALA A 28 -3.039 14.927 0.214 1.00100.00 C ATOM 0 H ALA A 28 -5.301 15.844 -0.214 1.00100.00 H new ATOM 0 HA ALA A 28 -3.086 16.946 1.001 1.00100.00 H new ATOM 0 HB1 ALA A 28 -1.968 14.783 0.357 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.577 14.525 1.072 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.357 14.407 -0.690 1.00100.00 H new ATOM 390 N LEU A 29 -3.011 16.802 -2.301 1.00100.00 N ATOM 391 CA LEU A 29 -2.329 17.208 -3.501 1.00100.00 C ATOM 392 C LEU A 29 -2.031 18.670 -3.578 1.00100.00 C ATOM 393 O LEU A 29 -0.877 19.017 -3.840 1.00100.00 O ATOM 394 CB LEU A 29 -3.146 16.902 -4.779 1.00100.00 C ATOM 395 CG LEU A 29 -2.613 15.685 -5.538 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.496 14.443 -4.655 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.573 15.387 -6.690 1.00100.00 C ATOM 0 H LEU A 29 -3.923 16.382 -2.478 1.00100.00 H new ATOM 0 HA LEU A 29 -1.404 16.633 -3.451 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.188 16.729 -4.508 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.127 17.772 -5.435 1.00100.00 H new ATOM 0 HG LEU A 29 -1.611 15.921 -5.895 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.113 13.611 -5.246 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.814 14.646 -3.830 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.478 14.185 -4.259 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.215 14.522 -7.248 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.565 15.176 -6.291 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.624 16.250 -7.353 1.00100.00 H new ATOM 409 N GLN A 30 -3.023 19.568 -3.305 1.00100.00 N ATOM 410 CA GLN A 30 -2.757 20.995 -3.402 1.00100.00 C ATOM 411 C GLN A 30 -2.613 21.686 -2.060 1.00100.00 C ATOM 412 O GLN A 30 -1.960 22.728 -1.968 1.00100.00 O ATOM 413 CB GLN A 30 -3.846 21.763 -4.206 1.00100.00 C ATOM 414 CG GLN A 30 -3.544 23.245 -4.430 1.00100.00 C ATOM 415 CD GLN A 30 -4.723 23.926 -5.116 1.00100.00 C ATOM 416 OE1 GLN A 30 -5.742 24.182 -4.479 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.586 24.225 -6.410 1.00100.00 N ATOM 0 H GLN A 30 -3.973 19.321 -3.028 1.00100.00 H new ATOM 0 HA GLN A 30 -1.804 21.033 -3.929 1.00100.00 H new ATOM 0 HB2 GLN A 30 -3.971 21.281 -5.175 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.797 21.675 -3.681 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.340 23.730 -3.475 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.647 23.352 -5.040 1.00100.00 H new ATOM 0 HE21 GLN A 30 -3.721 23.993 -6.898 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.346 24.685 -6.910 1.00100.00 H new ATOM 426 N TYR A 31 -3.162 21.092 -0.978 1.00100.00 N ATOM 427 CA TYR A 31 -3.172 21.617 0.372 1.00100.00 C ATOM 428 C TYR A 31 -4.119 22.749 0.636 1.00100.00 C ATOM 429 O TYR A 31 -4.927 22.619 1.559 1.00100.00 O ATOM 430 CB TYR A 31 -1.815 21.999 1.022 1.00100.00 C ATOM 431 CG TYR A 31 -0.860 20.832 1.090 1.00100.00 C ATOM 432 CD1 TYR A 31 -0.989 19.889 2.118 1.00100.00 C ATOM 433 CD2 TYR A 31 0.136 20.682 0.115 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.119 18.792 2.178 1.00100.00 C ATOM 435 CE2 TYR A 31 1.010 19.588 0.167 1.00100.00 C ATOM 436 CZ TYR A 31 0.885 18.637 1.200 1.00100.00 C ATOM 437 OH TYR A 31 1.731 17.569 1.253 1.00100.00 O ATOM 0 H TYR A 31 -3.630 20.188 -1.044 1.00100.00 H new ATOM 0 HA TYR A 31 -3.528 20.706 0.853 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.357 22.807 0.452 1.00100.00 H new ATOM 0 HB3 TYR A 31 -1.992 22.379 2.028 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.760 20.008 2.865 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.230 21.410 -0.677 1.00100.00 H new ATOM 0 HE1 TYR A 31 -0.217 18.066 2.972 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.778 19.474 -0.583 1.00100.00 H new ATOM 0 HH TYR A 31 2.361 17.614 0.504 1.00100.00 H new ATOM 447 N ARG A 32 -4.061 23.864 -0.141 1.00100.00 N ATOM 448 CA ARG A 32 -4.931 24.994 0.094 1.00100.00 C ATOM 449 C ARG A 32 -6.358 24.626 -0.190 1.00100.00 C ATOM 450 O ARG A 32 -7.170 24.635 0.735 1.00100.00 O ATOM 451 CB ARG A 32 -4.546 26.171 -0.812 1.00100.00 C ATOM 452 CG ARG A 32 -5.352 27.426 -0.478 1.00100.00 C ATOM 453 CD ARG A 32 -4.943 28.565 -1.413 1.00100.00 C ATOM 454 NE ARG A 32 -3.504 28.835 -1.319 1.00100.00 N ATOM 455 CZ ARG A 32 -2.609 28.486 -2.257 1.00100.00 C ATOM 456 NH1 ARG A 32 -3.003 27.905 -3.400 1.00100.00 N ATOM 457 NH2 ARG A 32 -1.306 28.718 -2.049 1.00100.00 N ATOM 0 H ARG A 32 -3.418 23.981 -0.924 1.00100.00 H new ATOM 0 HA ARG A 32 -4.822 25.282 1.140 1.00100.00 H new ATOM 0 HB2 ARG A 32 -3.482 26.382 -0.703 1.00100.00 H new ATOM 0 HB3 ARG A 32 -4.712 25.898 -1.854 1.00100.00 H new ATOM 0 HG2 ARG A 32 -6.418 27.223 -0.581 1.00100.00 H new ATOM 0 HG3 ARG A 32 -5.181 27.715 0.559 1.00100.00 H new ATOM 0 HD2 ARG A 32 -5.201 28.307 -2.440 1.00100.00 H new ATOM 0 HD3 ARG A 32 -5.502 29.466 -1.160 1.00100.00 H new ATOM 0 HE ARG A 32 -3.162 29.318 -0.489 1.00100.00 H new ATOM 0 HH11 ARG A 32 -3.993 27.723 -3.565 1.00100.00 H new ATOM 0 HH12 ARG A 32 -2.313 27.645 -4.104 1.00100.00 H new ATOM 0 HH21 ARG A 32 -0.998 29.158 -1.182 1.00100.00 H new ATOM 0 HH22 ARG A 32 -0.622 28.455 -2.758 1.00100.00 H new ATOM 471 N ASN A 33 -6.671 24.263 -1.465 1.00100.00 N ATOM 472 CA ASN A 33 -7.980 23.842 -1.906 1.00100.00 C ATOM 473 C ASN A 33 -9.117 24.732 -1.462 1.00100.00 C ATOM 474 O ASN A 33 -10.151 24.254 -0.988 1.00100.00 O ATOM 475 CB ASN A 33 -8.222 22.345 -1.621 1.00100.00 C ATOM 476 CG ASN A 33 -7.196 21.559 -2.426 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.236 21.573 -3.654 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.247 20.916 -1.742 1.00100.00 N ATOM 0 H ASN A 33 -5.981 24.264 -2.216 1.00100.00 H new ATOM 0 HA ASN A 33 -7.976 23.966 -2.989 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.118 22.135 -0.557 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.235 22.059 -1.905 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.515 20.409 -2.239 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.254 20.932 -0.722 1.00100.00 H new ATOM 485 N GLY A 34 -8.934 26.068 -1.593 1.00100.00 N ATOM 486 CA GLY A 34 -9.936 27.033 -1.196 1.00100.00 C ATOM 487 C GLY A 34 -10.045 27.160 0.298 1.00100.00 C ATOM 488 O GLY A 34 -11.078 27.597 0.803 1.00100.00 O ATOM 0 H GLY A 34 -8.086 26.485 -1.977 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.691 28.005 -1.624 1.00100.00 H new ATOM 0 HA3 GLY A 34 -10.903 26.739 -1.605 1.00100.00 H new ATOM 492 N PHE A 35 -8.959 26.795 1.025 1.00100.00 N ATOM 493 CA PHE A 35 -8.851 26.810 2.462 1.00100.00 C ATOM 494 C PHE A 35 -9.921 25.990 3.142 1.00100.00 C ATOM 495 O PHE A 35 -10.494 26.378 4.163 1.00100.00 O ATOM 496 CB PHE A 35 -8.768 28.220 3.076 1.00100.00 C ATOM 497 CG PHE A 35 -7.577 29.018 2.609 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.330 28.848 3.224 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.720 29.932 1.557 1.00100.00 C ATOM 500 CE1 PHE A 35 -5.228 29.597 2.791 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.622 30.688 1.129 1.00100.00 C ATOM 502 CZ PHE A 35 -5.375 30.519 1.746 1.00100.00 C ATOM 0 H PHE A 35 -8.102 26.469 0.578 1.00100.00 H new ATOM 0 HA PHE A 35 -7.890 26.333 2.657 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.679 28.767 2.831 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.731 28.132 4.162 1.00100.00 H new ATOM 0 HD1 PHE A 35 -6.218 28.140 4.032 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.679 30.054 1.075 1.00100.00 H new ATOM 0 HE1 PHE A 35 -4.266 29.464 3.262 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.736 31.400 0.325 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.527 31.100 1.416 1.00100.00 H new ATOM 512 N TYR A 36 -10.193 24.803 2.548 1.00100.00 N ATOM 513 CA TYR A 36 -11.135 23.803 2.996 1.00100.00 C ATOM 514 C TYR A 36 -10.678 23.349 4.366 1.00100.00 C ATOM 515 O TYR A 36 -11.480 23.279 5.299 1.00100.00 O ATOM 516 CB TYR A 36 -11.045 22.610 1.996 1.00100.00 C ATOM 517 CG TYR A 36 -11.845 21.385 2.369 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.242 21.454 2.442 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.190 20.165 2.592 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.994 20.301 2.709 1.00100.00 C ATOM 521 CE2 TYR A 36 -11.932 19.008 2.865 1.00100.00 C ATOM 522 CZ TYR A 36 -13.339 19.070 2.915 1.00100.00 C ATOM 523 OH TYR A 36 -14.067 17.942 3.162 1.00100.00 O ATOM 0 H TYR A 36 -9.719 24.521 1.690 1.00100.00 H new ATOM 0 HA TYR A 36 -12.157 24.180 3.043 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.377 22.954 1.016 1.00100.00 H new ATOM 0 HB3 TYR A 36 -9.999 22.322 1.895 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.742 22.399 2.292 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.112 20.117 2.553 1.00100.00 H new ATOM 0 HE1 TYR A 36 -15.072 20.356 2.757 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.426 18.070 3.037 1.00100.00 H new ATOM 0 HH TYR A 36 -13.461 17.181 3.279 1.00100.00 H new ATOM 533 N LEU A 37 -9.358 23.074 4.502 1.00100.00 N ATOM 534 CA LEU A 37 -8.767 22.658 5.743 1.00100.00 C ATOM 535 C LEU A 37 -8.200 23.907 6.340 1.00100.00 C ATOM 536 O LEU A 37 -7.304 24.537 5.773 1.00100.00 O ATOM 537 CB LEU A 37 -7.557 21.703 5.625 1.00100.00 C ATOM 538 CG LEU A 37 -7.921 20.393 4.923 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.678 19.504 4.881 1.00100.00 C ATOM 540 CD2 LEU A 37 -9.034 19.655 5.666 1.00100.00 C ATOM 0 H LEU A 37 -8.691 23.143 3.733 1.00100.00 H new ATOM 0 HA LEU A 37 -9.542 22.134 6.302 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.758 22.199 5.074 1.00100.00 H new ATOM 0 HB3 LEU A 37 -7.170 21.485 6.620 1.00100.00 H new ATOM 0 HG LEU A 37 -8.275 20.621 3.918 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.919 18.565 4.383 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.885 20.012 4.332 1.00100.00 H new ATOM 0 HD13 LEU A 37 -6.342 19.300 5.898 1.00100.00 H new ATOM 0 HD21 LEU A 37 -9.269 18.729 5.142 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.705 19.425 6.679 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.923 20.284 5.708 1.00100.00 H new ATOM 552 N LEU A 38 -8.731 24.267 7.527 1.00100.00 N ATOM 553 CA LEU A 38 -8.339 25.428 8.291 1.00100.00 C ATOM 554 C LEU A 38 -6.939 25.286 8.844 1.00100.00 C ATOM 555 O LEU A 38 -6.240 26.275 9.058 1.00100.00 O ATOM 556 CB LEU A 38 -9.287 25.693 9.477 1.00100.00 C ATOM 557 CG LEU A 38 -10.709 25.980 8.984 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.620 26.183 10.193 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.756 27.240 8.116 1.00100.00 C ATOM 0 H LEU A 38 -9.468 23.726 7.979 1.00100.00 H new ATOM 0 HA LEU A 38 -8.384 26.264 7.593 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.295 24.829 10.142 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.921 26.539 10.059 1.00100.00 H new ATOM 0 HG LEU A 38 -11.040 25.134 8.382 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.635 26.388 9.853 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.618 25.282 10.806 1.00100.00 H new ATOM 0 HD13 LEU A 38 -11.258 27.024 10.784 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.779 27.414 7.783 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.413 28.096 8.698 1.00100.00 H new ATOM 0 HD23 LEU A 38 -10.110 27.108 7.248 1.00100.00 H new ATOM 571 N LYS A 39 -6.494 24.020 9.000 1.00100.00 N ATOM 572 CA LYS A 39 -5.229 23.565 9.527 1.00100.00 C ATOM 573 C LYS A 39 -4.058 24.118 8.755 1.00100.00 C ATOM 574 O LYS A 39 -3.020 24.405 9.351 1.00100.00 O ATOM 575 CB LYS A 39 -5.096 22.039 9.393 1.00100.00 C ATOM 576 CG LYS A 39 -6.214 21.347 10.174 1.00100.00 C ATOM 577 CD LYS A 39 -6.094 19.833 10.021 1.00100.00 C ATOM 578 CE LYS A 39 -7.231 19.156 10.782 1.00100.00 C ATOM 579 NZ LYS A 39 -7.160 17.693 10.649 1.00100.00 N ATOM 0 H LYS A 39 -7.082 23.232 8.729 1.00100.00 H new ATOM 0 HA LYS A 39 -5.215 23.899 10.564 1.00100.00 H new ATOM 0 HB2 LYS A 39 -5.143 21.752 8.342 1.00100.00 H new ATOM 0 HB3 LYS A 39 -4.125 21.716 9.768 1.00100.00 H new ATOM 0 HG2 LYS A 39 -6.157 21.621 11.228 1.00100.00 H new ATOM 0 HG3 LYS A 39 -7.185 21.682 9.810 1.00100.00 H new ATOM 0 HD2 LYS A 39 -6.133 19.559 8.967 1.00100.00 H new ATOM 0 HD3 LYS A 39 -5.132 19.493 10.404 1.00100.00 H new ATOM 0 HE2 LYS A 39 -7.182 19.431 11.836 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.189 19.513 10.404 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.944 17.258 11.176 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -7.230 17.432 9.645 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -6.255 17.353 11.032 1.00100.00 H new ATOM 593 N TYR A 40 -4.210 24.271 7.417 1.00100.00 N ATOM 594 CA TYR A 40 -3.195 24.758 6.513 1.00100.00 C ATOM 595 C TYR A 40 -2.709 26.140 6.862 1.00100.00 C ATOM 596 O TYR A 40 -1.495 26.372 6.842 1.00100.00 O ATOM 597 CB TYR A 40 -3.772 24.746 5.062 1.00100.00 C ATOM 598 CG TYR A 40 -2.914 25.393 4.000 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.800 24.717 3.483 1.00100.00 C ATOM 600 CD2 TYR A 40 -3.274 26.648 3.492 1.00100.00 C ATOM 601 CE1 TYR A 40 -1.047 25.294 2.450 1.00100.00 C ATOM 602 CE2 TYR A 40 -2.530 27.231 2.458 1.00100.00 C ATOM 603 CZ TYR A 40 -1.412 26.553 1.930 1.00100.00 C ATOM 604 OH TYR A 40 -0.692 27.112 0.914 1.00100.00 O ATOM 0 H TYR A 40 -5.084 24.044 6.942 1.00100.00 H new ATOM 0 HA TYR A 40 -2.331 24.098 6.595 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.953 23.711 4.773 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.740 25.247 5.074 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.522 23.752 3.880 1.00100.00 H new ATOM 0 HD2 TYR A 40 -4.128 27.168 3.899 1.00100.00 H new ATOM 0 HE1 TYR A 40 -0.188 24.774 2.053 1.00100.00 H new ATOM 0 HE2 TYR A 40 -2.812 28.197 2.066 1.00100.00 H new ATOM 0 HH TYR A 40 -1.081 27.980 0.676 1.00100.00 H new ATOM 614 N ASP A 41 -3.629 27.070 7.209 1.00100.00 N ATOM 615 CA ASP A 41 -3.252 28.427 7.521 1.00100.00 C ATOM 616 C ASP A 41 -2.516 28.483 8.839 1.00100.00 C ATOM 617 O ASP A 41 -2.902 27.840 9.816 1.00100.00 O ATOM 618 CB ASP A 41 -4.468 29.388 7.521 1.00100.00 C ATOM 619 CG ASP A 41 -4.038 30.831 7.744 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.464 31.403 6.793 1.00100.00 O ATOM 621 OD2 ASP A 41 -4.294 31.336 8.857 1.00100.00 O ATOM 0 H ASP A 41 -4.630 26.885 7.274 1.00100.00 H new ATOM 0 HA ASP A 41 -2.581 28.768 6.733 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.997 29.307 6.571 1.00100.00 H new ATOM 0 HB3 ASP A 41 -5.168 29.091 8.302 1.00100.00 H new ATOM 626 N GLU A 42 -1.414 29.268 8.867 1.00100.00 N ATOM 627 CA GLU A 42 -0.565 29.445 10.022 1.00100.00 C ATOM 628 C GLU A 42 -1.289 30.079 11.174 1.00100.00 C ATOM 629 O GLU A 42 -1.122 29.659 12.322 1.00100.00 O ATOM 630 CB GLU A 42 0.654 30.336 9.736 1.00100.00 C ATOM 631 CG GLU A 42 1.508 29.732 8.623 1.00100.00 C ATOM 632 CD GLU A 42 2.737 30.591 8.361 1.00100.00 C ATOM 633 OE1 GLU A 42 2.540 31.789 8.061 1.00100.00 O ATOM 634 OE2 GLU A 42 3.851 30.035 8.467 1.00100.00 O ATOM 0 H GLU A 42 -1.100 29.801 8.056 1.00100.00 H new ATOM 0 HA GLU A 42 -0.247 28.433 10.273 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.323 31.334 9.448 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.251 30.447 10.641 1.00100.00 H new ATOM 0 HG2 GLU A 42 1.815 28.724 8.900 1.00100.00 H new ATOM 0 HG3 GLU A 42 0.917 29.646 7.711 1.00100.00 H new ATOM 641 N GLU A 43 -2.131 31.091 10.870 1.00100.00 N ATOM 642 CA GLU A 43 -2.890 31.815 11.860 1.00100.00 C ATOM 643 C GLU A 43 -4.225 31.171 12.130 1.00100.00 C ATOM 644 O GLU A 43 -5.025 31.711 12.899 1.00100.00 O ATOM 645 CB GLU A 43 -3.132 33.288 11.459 1.00100.00 C ATOM 646 CG GLU A 43 -1.809 33.998 11.174 1.00100.00 C ATOM 647 CD GLU A 43 -0.888 33.966 12.388 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.362 34.358 13.475 1.00100.00 O ATOM 649 OE2 GLU A 43 0.277 33.548 12.205 1.00100.00 O ATOM 0 H GLU A 43 -2.290 31.415 9.916 1.00100.00 H new ATOM 0 HA GLU A 43 -2.281 31.787 12.764 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.769 33.329 10.576 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.662 33.805 12.259 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.314 33.522 10.327 1.00100.00 H new ATOM 0 HG3 GLU A 43 -2.003 35.032 10.890 1.00100.00 H new ATOM 656 N TRP A 44 -4.493 29.996 11.502 1.00100.00 N ATOM 657 CA TRP A 44 -5.686 29.192 11.596 1.00100.00 C ATOM 658 C TRP A 44 -6.849 29.792 10.850 1.00100.00 C ATOM 659 O TRP A 44 -7.543 29.048 10.159 1.00100.00 O ATOM 660 CB TRP A 44 -6.089 28.780 13.047 1.00100.00 C ATOM 661 CG TRP A 44 -7.326 27.946 13.131 1.00100.00 C ATOM 662 CD1 TRP A 44 -7.376 26.600 13.028 1.00100.00 C ATOM 663 CD2 TRP A 44 -8.704 28.383 13.323 1.00100.00 C ATOM 664 NE1 TRP A 44 -8.681 26.175 13.158 1.00100.00 N ATOM 665 CE2 TRP A 44 -9.542 27.235 13.346 1.00100.00 C ATOM 666 CE3 TRP A 44 -9.330 29.633 13.477 1.00100.00 C ATOM 667 CZ2 TRP A 44 -10.928 27.322 13.526 1.00100.00 C ATOM 668 CZ3 TRP A 44 -10.718 29.732 13.651 1.00100.00 C ATOM 669 CH2 TRP A 44 -11.519 28.582 13.678 1.00100.00 C ATOM 0 H TRP A 44 -3.810 29.575 10.873 1.00100.00 H new ATOM 0 HA TRP A 44 -5.413 28.261 11.100 1.00100.00 H new ATOM 0 HB2 TRP A 44 -5.263 28.230 13.498 1.00100.00 H new ATOM 0 HB3 TRP A 44 -6.233 29.682 13.641 1.00100.00 H new ATOM 0 HD1 TRP A 44 -6.524 25.956 12.868 1.00100.00 H new ATOM 0 HE1 TRP A 44 -8.973 25.198 13.120 1.00100.00 H new ATOM 0 HE3 TRP A 44 -8.732 30.532 13.461 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -11.534 26.428 13.547 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -11.174 30.704 13.765 1.00100.00 H new ATOM 0 HH2 TRP A 44 -12.587 28.668 13.815 1.00100.00 H new ATOM 680 N TYR A 45 -7.107 31.120 10.980 1.00100.00 N ATOM 681 CA TYR A 45 -8.205 31.775 10.312 1.00100.00 C ATOM 682 C TYR A 45 -7.658 32.284 8.989 1.00100.00 C ATOM 683 O TYR A 45 -6.855 33.221 8.970 1.00100.00 O ATOM 684 CB TYR A 45 -8.722 32.957 11.170 1.00100.00 C ATOM 685 CG TYR A 45 -9.958 33.589 10.574 1.00100.00 C ATOM 686 CD1 TYR A 45 -11.219 33.059 10.876 1.00100.00 C ATOM 687 CD2 TYR A 45 -9.841 34.675 9.696 1.00100.00 C ATOM 688 CE1 TYR A 45 -12.372 33.614 10.304 1.00100.00 C ATOM 689 CE2 TYR A 45 -10.987 35.236 9.117 1.00100.00 C ATOM 690 CZ TYR A 45 -12.259 34.706 9.419 1.00100.00 C ATOM 691 OH TYR A 45 -13.377 35.243 8.852 1.00100.00 O ATOM 0 H TYR A 45 -6.545 31.745 11.557 1.00100.00 H new ATOM 0 HA TYR A 45 -9.040 31.092 10.157 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.945 32.604 12.177 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.938 33.709 11.262 1.00100.00 H new ATOM 0 HD1 TYR A 45 -11.303 32.220 11.551 1.00100.00 H new ATOM 0 HD2 TYR A 45 -8.867 35.080 9.465 1.00100.00 H new ATOM 0 HE1 TYR A 45 -13.344 33.207 10.540 1.00100.00 H new ATOM 0 HE2 TYR A 45 -10.897 36.073 8.440 1.00100.00 H new ATOM 0 HH TYR A 45 -13.122 35.989 8.269 1.00100.00 H new ATOM 701 N PRO A 46 -8.073 31.661 7.847 1.00100.00 N ATOM 702 CA PRO A 46 -7.638 32.009 6.511 1.00100.00 C ATOM 703 C PRO A 46 -8.360 33.182 5.902 1.00100.00 C ATOM 704 O PRO A 46 -9.369 33.628 6.456 1.00100.00 O ATOM 705 CB PRO A 46 -7.890 30.746 5.705 1.00100.00 C ATOM 706 CG PRO A 46 -9.194 30.241 6.312 1.00100.00 C ATOM 707 CD PRO A 46 -8.989 30.535 7.795 1.00100.00 C ATOM 0 HA PRO A 46 -6.597 32.331 6.524 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.989 30.954 4.640 1.00100.00 H new ATOM 0 HB3 PRO A 46 -7.081 30.023 5.815 1.00100.00 H new ATOM 0 HG2 PRO A 46 -10.061 30.764 5.909 1.00100.00 H new ATOM 0 HG3 PRO A 46 -9.347 29.178 6.124 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.934 30.776 8.281 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.576 29.669 8.313 1.00100.00 H new ATOM 715 N GLU A 47 -7.823 33.697 4.764 1.00100.00 N ATOM 716 CA GLU A 47 -8.424 34.781 4.025 1.00100.00 C ATOM 717 C GLU A 47 -9.759 34.343 3.479 1.00100.00 C ATOM 718 O GLU A 47 -10.736 35.090 3.587 1.00100.00 O ATOM 719 CB GLU A 47 -7.558 35.274 2.846 1.00100.00 C ATOM 720 CG GLU A 47 -6.190 35.739 3.342 1.00100.00 C ATOM 721 CD GLU A 47 -6.327 36.874 4.348 1.00100.00 C ATOM 722 OE1 GLU A 47 -6.721 37.977 3.909 1.00100.00 O ATOM 723 OE2 GLU A 47 -6.040 36.618 5.537 1.00100.00 O ATOM 0 H GLU A 47 -6.956 33.353 4.352 1.00100.00 H new ATOM 0 HA GLU A 47 -8.529 35.608 4.728 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.434 34.472 2.119 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.063 36.093 2.334 1.00100.00 H new ATOM 0 HG2 GLU A 47 -5.663 34.903 3.802 1.00100.00 H new ATOM 0 HG3 GLU A 47 -5.586 36.069 2.497 1.00100.00 H new ATOM 730 N GLU A 48 -9.828 33.112 2.902 1.00100.00 N ATOM 731 CA GLU A 48 -11.069 32.608 2.380 1.00100.00 C ATOM 732 C GLU A 48 -11.476 31.516 3.317 1.00100.00 C ATOM 733 O GLU A 48 -10.933 30.411 3.303 1.00100.00 O ATOM 734 CB GLU A 48 -10.978 32.060 0.934 1.00100.00 C ATOM 735 CG GLU A 48 -10.539 33.138 -0.058 1.00100.00 C ATOM 736 CD GLU A 48 -11.567 34.257 -0.183 1.00100.00 C ATOM 737 OE1 GLU A 48 -12.760 33.976 0.063 1.00100.00 O ATOM 738 OE2 GLU A 48 -11.140 35.378 -0.537 1.00100.00 O ATOM 0 H GLU A 48 -9.034 32.479 2.801 1.00100.00 H new ATOM 0 HA GLU A 48 -11.791 33.422 2.318 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.272 31.230 0.904 1.00100.00 H new ATOM 0 HB3 GLU A 48 -11.948 31.664 0.634 1.00100.00 H new ATOM 0 HG2 GLU A 48 -9.585 33.557 0.262 1.00100.00 H new ATOM 0 HG3 GLU A 48 -10.376 32.685 -1.036 1.00100.00 H new ATOM 745 N LEU A 49 -12.429 31.858 4.201 1.00100.00 N ATOM 746 CA LEU A 49 -12.974 30.980 5.202 1.00100.00 C ATOM 747 C LEU A 49 -13.830 29.891 4.610 1.00100.00 C ATOM 748 O LEU A 49 -13.784 28.738 5.042 1.00100.00 O ATOM 749 CB LEU A 49 -13.776 31.797 6.238 1.00100.00 C ATOM 750 CG LEU A 49 -14.264 30.934 7.405 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.087 30.394 8.218 1.00100.00 C ATOM 752 CD2 LEU A 49 -15.142 31.795 8.312 1.00100.00 C ATOM 0 H LEU A 49 -12.843 32.790 4.223 1.00100.00 H new ATOM 0 HA LEU A 49 -12.136 30.488 5.696 1.00100.00 H new ATOM 0 HB2 LEU A 49 -13.153 32.605 6.622 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.633 32.260 5.748 1.00100.00 H new ATOM 0 HG LEU A 49 -14.826 30.088 7.008 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.462 29.785 9.040 1.00100.00 H new ATOM 0 HD12 LEU A 49 -12.450 29.785 7.576 1.00100.00 H new ATOM 0 HD13 LEU A 49 -12.509 31.227 8.618 1.00100.00 H new ATOM 0 HD21 LEU A 49 -15.498 31.195 9.149 1.00100.00 H new ATOM 0 HD22 LEU A 49 -14.560 32.636 8.690 1.00100.00 H new ATOM 0 HD23 LEU A 49 -15.994 32.169 7.745 1.00100.00 H new ATOM 764 N LEU A 50 -14.628 30.263 3.588 1.00100.00 N ATOM 765 CA LEU A 50 -15.550 29.396 2.906 1.00100.00 C ATOM 766 C LEU A 50 -14.940 28.244 2.176 1.00100.00 C ATOM 767 O LEU A 50 -13.844 28.339 1.624 1.00100.00 O ATOM 768 CB LEU A 50 -16.417 30.159 1.884 1.00100.00 C ATOM 769 CG LEU A 50 -17.134 31.349 2.528 1.00100.00 C ATOM 770 CD1 LEU A 50 -17.953 32.071 1.460 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.065 30.886 3.648 1.00100.00 C ATOM 0 H LEU A 50 -14.631 31.214 3.219 1.00100.00 H new ATOM 0 HA LEU A 50 -16.143 28.998 3.730 1.00100.00 H new ATOM 0 HB2 LEU A 50 -15.790 30.511 1.065 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.153 29.481 1.452 1.00100.00 H new ATOM 0 HG LEU A 50 -16.387 32.019 2.955 1.00100.00 H new ATOM 0 HD11 LEU A 50 -18.468 32.921 1.909 1.00100.00 H new ATOM 0 HD12 LEU A 50 -17.290 32.424 0.670 1.00100.00 H new ATOM 0 HD13 LEU A 50 -18.686 31.384 1.038 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.562 31.750 4.089 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.813 30.206 3.241 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.485 30.371 4.414 1.00100.00 H new ATOM 800 N ASP A 52 -14.463 25.722 -0.737 1.00100.00 N ATOM 801 CA ASP A 52 -14.448 25.896 -2.165 1.00100.00 C ATOM 802 C ASP A 52 -15.496 24.994 -2.761 1.00100.00 C ATOM 803 O ASP A 52 -15.614 23.821 -2.396 1.00100.00 O ATOM 804 CB ASP A 52 -13.076 25.549 -2.796 1.00100.00 C ATOM 805 CG ASP A 52 -13.054 25.841 -4.292 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.502 24.959 -5.055 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.583 26.944 -4.644 1.00100.00 O ATOM 0 HA ASP A 52 -14.647 26.947 -2.376 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.292 26.123 -2.302 1.00100.00 H new ATOM 0 HB3 ASP A 52 -12.854 24.495 -2.627 1.00100.00 H new ATOM 812 N GLY A 53 -16.294 25.575 -3.678 1.00100.00 N ATOM 813 CA GLY A 53 -17.341 24.891 -4.372 1.00100.00 C ATOM 814 C GLY A 53 -16.797 24.686 -5.742 1.00100.00 C ATOM 815 O GLY A 53 -16.043 23.741 -5.988 1.00100.00 O ATOM 0 H GLY A 53 -16.206 26.556 -3.945 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.583 23.942 -3.893 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.258 25.481 -4.391 1.00100.00 H new ATOM 819 N GLU A 54 -17.204 25.576 -6.673 1.00100.00 N ATOM 820 CA GLU A 54 -16.734 25.504 -8.023 1.00100.00 C ATOM 821 C GLU A 54 -15.949 26.759 -8.254 1.00100.00 C ATOM 822 O GLU A 54 -16.526 27.834 -8.445 1.00100.00 O ATOM 823 CB GLU A 54 -17.866 25.423 -9.081 1.00100.00 C ATOM 824 CG GLU A 54 -18.668 24.138 -8.881 1.00100.00 C ATOM 825 CD GLU A 54 -19.750 23.995 -9.943 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.518 24.966 -10.109 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.790 22.913 -10.569 1.00100.00 O ATOM 0 H GLU A 54 -17.855 26.340 -6.490 1.00100.00 H new ATOM 0 HA GLU A 54 -16.151 24.591 -8.140 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.522 26.289 -8.993 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.441 25.445 -10.085 1.00100.00 H new ATOM 0 HG2 GLU A 54 -17.999 23.278 -8.921 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.124 24.141 -7.891 1.00100.00 H new ATOM 834 N ASP A 55 -14.597 26.619 -8.240 1.00100.00 N ATOM 835 CA ASP A 55 -13.631 27.682 -8.466 1.00100.00 C ATOM 836 C ASP A 55 -13.842 28.917 -7.604 1.00100.00 C ATOM 837 O ASP A 55 -13.724 30.051 -8.079 1.00100.00 O ATOM 838 CB ASP A 55 -13.545 28.120 -9.962 1.00100.00 C ATOM 839 CG ASP A 55 -13.156 26.940 -10.843 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.075 26.369 -10.582 1.00100.00 O ATOM 841 OD2 ASP A 55 -13.948 26.628 -11.759 1.00100.00 O ATOM 0 H ASP A 55 -14.151 25.719 -8.062 1.00100.00 H new ATOM 0 HA ASP A 55 -12.687 27.226 -8.168 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.506 28.521 -10.285 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.812 28.920 -10.071 1.00100.00 H new ATOM 846 N ASP A 56 -14.180 28.727 -6.304 1.00100.00 N ATOM 847 CA ASP A 56 -14.408 29.835 -5.400 1.00100.00 C ATOM 848 C ASP A 56 -13.143 30.607 -5.127 1.00100.00 C ATOM 849 O ASP A 56 -13.160 31.839 -5.111 1.00100.00 O ATOM 850 CB ASP A 56 -15.029 29.419 -4.048 1.00100.00 C ATOM 851 CG ASP A 56 -16.438 28.856 -4.206 1.00100.00 C ATOM 852 OD1 ASP A 56 -16.970 28.931 -5.334 1.00100.00 O ATOM 853 OD2 ASP A 56 -16.963 28.367 -3.183 1.00100.00 O ATOM 0 H ASP A 56 -14.296 27.808 -5.877 1.00100.00 H new ATOM 0 HA ASP A 56 -15.127 30.466 -5.922 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.393 28.672 -3.573 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.058 30.282 -3.383 1.00100.00 H new ATOM 858 N VAL A 57 -12.013 29.883 -4.931 1.00100.00 N ATOM 859 CA VAL A 57 -10.722 30.468 -4.661 1.00100.00 C ATOM 860 C VAL A 57 -10.181 31.121 -5.912 1.00100.00 C ATOM 861 O VAL A 57 -10.496 30.698 -7.028 1.00100.00 O ATOM 862 CB VAL A 57 -9.748 29.478 -4.019 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.325 28.405 -5.023 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.517 30.187 -3.454 1.00100.00 C ATOM 0 H VAL A 57 -11.997 28.864 -4.961 1.00100.00 H new ATOM 0 HA VAL A 57 -10.848 31.249 -3.911 1.00100.00 H new ATOM 0 HB VAL A 57 -10.270 28.999 -3.191 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.633 27.712 -4.545 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.205 27.860 -5.366 1.00100.00 H new ATOM 0 HG13 VAL A 57 -8.836 28.877 -5.875 1.00100.00 H new ATOM 0 HG21 VAL A 57 -7.848 29.453 -3.006 1.00100.00 H new ATOM 0 HG22 VAL A 57 -7.997 30.709 -4.257 1.00100.00 H new ATOM 0 HG23 VAL A 57 -8.827 30.906 -2.695 1.00100.00 H new ATOM 874 N PHE A 58 -9.357 32.187 -5.721 1.00100.00 N ATOM 875 CA PHE A 58 -8.746 32.975 -6.771 1.00100.00 C ATOM 876 C PHE A 58 -9.779 33.494 -7.732 1.00100.00 C ATOM 877 O PHE A 58 -9.652 33.390 -8.953 1.00100.00 O ATOM 878 CB PHE A 58 -7.567 32.301 -7.540 1.00100.00 C ATOM 879 CG PHE A 58 -6.399 31.904 -6.667 1.00100.00 C ATOM 880 CD1 PHE A 58 -5.471 32.871 -6.259 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.229 30.566 -6.285 1.00100.00 C ATOM 882 CE1 PHE A 58 -4.376 32.502 -5.465 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.137 30.197 -5.488 1.00100.00 C ATOM 884 CZ PHE A 58 -4.210 31.165 -5.079 1.00100.00 C ATOM 0 H PHE A 58 -9.105 32.515 -4.788 1.00100.00 H new ATOM 0 HA PHE A 58 -8.281 33.804 -6.237 1.00100.00 H new ATOM 0 HB2 PHE A 58 -7.942 31.414 -8.050 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.213 32.986 -8.310 1.00100.00 H new ATOM 0 HD1 PHE A 58 -5.599 33.901 -6.556 1.00100.00 H new ATOM 0 HD2 PHE A 58 -6.940 29.819 -6.605 1.00100.00 H new ATOM 0 HE1 PHE A 58 -3.661 33.248 -5.151 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.010 29.167 -5.189 1.00100.00 H new ATOM 0 HZ PHE A 58 -3.367 30.881 -4.466 1.00100.00 H new ATOM 894 N ASP A 59 -10.860 34.062 -7.149 1.00100.00 N ATOM 895 CA ASP A 59 -11.968 34.625 -7.876 1.00100.00 C ATOM 896 C ASP A 59 -11.477 35.779 -8.753 1.00100.00 C ATOM 897 O ASP A 59 -11.864 35.801 -9.925 1.00100.00 O ATOM 898 CB ASP A 59 -13.128 35.004 -6.911 1.00100.00 C ATOM 899 CG ASP A 59 -14.313 35.551 -7.693 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.090 34.715 -8.202 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.417 36.795 -7.773 1.00100.00 O ATOM 0 H ASP A 59 -10.966 34.132 -6.137 1.00100.00 H new ATOM 0 HA ASP A 59 -12.390 33.882 -8.552 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.435 34.128 -6.340 1.00100.00 H new ATOM 0 HB3 ASP A 59 -12.783 35.748 -6.193 1.00100.00 H new ATOM 906 N PRO A 60 -10.607 36.739 -8.270 1.00100.00 N ATOM 907 CA PRO A 60 -10.087 37.797 -9.115 1.00100.00 C ATOM 908 C PRO A 60 -9.085 37.209 -10.083 1.00100.00 C ATOM 909 O PRO A 60 -8.521 36.149 -9.790 1.00100.00 O ATOM 910 CB PRO A 60 -9.419 38.817 -8.194 1.00100.00 C ATOM 911 CG PRO A 60 -9.935 38.443 -6.802 1.00100.00 C ATOM 912 CD PRO A 60 -10.193 36.940 -6.900 1.00100.00 C ATOM 0 HA PRO A 60 -10.876 38.276 -9.695 1.00100.00 H new ATOM 0 HB2 PRO A 60 -8.332 38.754 -8.248 1.00100.00 H new ATOM 0 HB3 PRO A 60 -9.693 39.838 -8.462 1.00100.00 H new ATOM 0 HG2 PRO A 60 -9.202 38.673 -6.029 1.00100.00 H new ATOM 0 HG3 PRO A 60 -10.844 38.989 -6.552 1.00100.00 H new ATOM 0 HD2 PRO A 60 -9.296 36.366 -6.667 1.00100.00 H new ATOM 0 HD3 PRO A 60 -10.966 36.622 -6.200 1.00100.00 H new ATOM 920 N ASP A 61 -8.852 37.890 -11.232 1.00100.00 N ATOM 921 CA ASP A 61 -7.922 37.430 -12.239 1.00100.00 C ATOM 922 C ASP A 61 -6.525 37.490 -11.687 1.00100.00 C ATOM 923 O ASP A 61 -6.110 38.496 -11.103 1.00100.00 O ATOM 924 CB ASP A 61 -7.994 38.257 -13.553 1.00100.00 C ATOM 925 CG ASP A 61 -7.102 37.641 -14.625 1.00100.00 C ATOM 926 OD1 ASP A 61 -5.871 37.840 -14.530 1.00100.00 O ATOM 927 OD2 ASP A 61 -7.668 36.975 -15.520 1.00100.00 O ATOM 0 H ASP A 61 -9.313 38.769 -11.466 1.00100.00 H new ATOM 0 HA ASP A 61 -8.198 36.406 -12.490 1.00100.00 H new ATOM 0 HB2 ASP A 61 -9.024 38.297 -13.908 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.684 39.284 -13.360 1.00100.00 H new ATOM 932 N LEU A 62 -5.796 36.366 -11.857 1.00100.00 N ATOM 933 CA LEU A 62 -4.449 36.266 -11.382 1.00100.00 C ATOM 934 C LEU A 62 -3.581 36.008 -12.580 1.00100.00 C ATOM 935 O LEU A 62 -2.646 36.770 -12.834 1.00100.00 O ATOM 936 CB LEU A 62 -4.298 35.136 -10.326 1.00100.00 C ATOM 937 CG LEU A 62 -2.845 34.925 -9.891 1.00100.00 C ATOM 938 CD1 LEU A 62 -2.287 36.184 -9.228 1.00100.00 C ATOM 939 CD2 LEU A 62 -2.787 33.764 -8.898 1.00100.00 C ATOM 0 H LEU A 62 -6.142 35.528 -12.324 1.00100.00 H new ATOM 0 HA LEU A 62 -4.154 37.188 -10.882 1.00100.00 H new ATOM 0 HB2 LEU A 62 -4.903 35.377 -9.452 1.00100.00 H new ATOM 0 HB3 LEU A 62 -4.689 34.205 -10.737 1.00100.00 H new ATOM 0 HG LEU A 62 -2.243 34.702 -10.772 1.00100.00 H new ATOM 0 HD11 LEU A 62 -1.254 36.010 -8.928 1.00100.00 H new ATOM 0 HD12 LEU A 62 -2.325 37.014 -9.934 1.00100.00 H new ATOM 0 HD13 LEU A 62 -2.884 36.428 -8.349 1.00100.00 H new ATOM 0 HD21 LEU A 62 -1.756 33.606 -8.583 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.401 33.998 -8.028 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.163 32.859 -9.374 1.00100.00 H new ATOM 951 N ASP A 63 -3.906 34.942 -13.351 1.00100.00 N ATOM 952 CA ASP A 63 -3.153 34.573 -14.522 1.00100.00 C ATOM 953 C ASP A 63 -4.113 34.428 -15.672 1.00100.00 C ATOM 954 O ASP A 63 -5.308 34.189 -15.487 1.00100.00 O ATOM 955 CB ASP A 63 -2.380 33.230 -14.329 1.00100.00 C ATOM 956 CG ASP A 63 -1.352 32.967 -15.424 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.934 33.948 -16.075 1.00100.00 O ATOM 958 OD2 ASP A 63 -0.985 31.781 -15.574 1.00100.00 O ATOM 0 H ASP A 63 -4.699 34.330 -13.159 1.00100.00 H new ATOM 0 HA ASP A 63 -2.414 35.351 -14.714 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.876 33.244 -13.362 1.00100.00 H new ATOM 0 HB3 ASP A 63 -3.094 32.407 -14.305 1.00100.00 H new ATOM 963 N MET A 64 -3.579 34.609 -16.902 1.00100.00 N ATOM 964 CA MET A 64 -4.311 34.494 -18.141 1.00100.00 C ATOM 965 C MET A 64 -4.831 33.099 -18.338 1.00100.00 C ATOM 966 O MET A 64 -6.017 32.910 -18.614 1.00100.00 O ATOM 967 CB MET A 64 -3.446 34.749 -19.387 1.00100.00 C ATOM 968 CG MET A 64 -2.906 36.178 -19.362 1.00100.00 C ATOM 969 SD MET A 64 -1.832 36.589 -20.760 1.00100.00 S ATOM 970 CE MET A 64 -3.025 36.423 -22.112 1.00100.00 C ATOM 0 H MET A 64 -2.597 34.845 -17.041 1.00100.00 H new ATOM 0 HA MET A 64 -5.100 35.240 -18.050 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.619 34.039 -19.418 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.037 34.590 -20.289 1.00100.00 H new ATOM 0 HG2 MET A 64 -3.746 36.872 -19.347 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.352 36.329 -18.436 1.00100.00 H new ATOM 0 HE1 MET A 64 -2.639 36.921 -23.001 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.185 35.367 -22.328 1.00100.00 H new ATOM 0 HE3 MET A 64 -3.970 36.881 -21.821 1.00100.00 H new ATOM 980 N GLU A 65 -3.986 32.088 -18.038 1.00100.00 N ATOM 981 CA GLU A 65 -4.355 30.713 -18.201 1.00100.00 C ATOM 982 C GLU A 65 -4.995 30.309 -16.913 1.00100.00 C ATOM 983 O GLU A 65 -4.452 30.569 -15.833 1.00100.00 O ATOM 984 CB GLU A 65 -3.141 29.815 -18.506 1.00100.00 C ATOM 985 CG GLU A 65 -3.608 28.384 -18.779 1.00100.00 C ATOM 986 CD GLU A 65 -2.436 27.436 -19.010 1.00100.00 C ATOM 987 OE1 GLU A 65 -1.310 27.942 -19.203 1.00100.00 O ATOM 988 OE2 GLU A 65 -2.693 26.212 -18.989 1.00100.00 O ATOM 0 H GLU A 65 -3.041 32.227 -17.680 1.00100.00 H new ATOM 0 HA GLU A 65 -5.029 30.597 -19.050 1.00100.00 H new ATOM 0 HB2 GLU A 65 -2.600 30.201 -19.370 1.00100.00 H new ATOM 0 HB3 GLU A 65 -2.448 29.827 -17.664 1.00100.00 H new ATOM 0 HG2 GLU A 65 -4.201 28.029 -17.936 1.00100.00 H new ATOM 0 HG3 GLU A 65 -4.259 28.375 -19.653 1.00100.00 H new ATOM 995 N VAL A 66 -6.196 29.692 -17.021 1.00100.00 N ATOM 996 CA VAL A 66 -6.904 29.272 -15.848 1.00100.00 C ATOM 997 C VAL A 66 -6.544 27.832 -15.633 1.00100.00 C ATOM 998 O VAL A 66 -6.950 26.931 -16.372 1.00100.00 O ATOM 999 CB VAL A 66 -8.415 29.467 -15.919 1.00100.00 C ATOM 1000 CG1 VAL A 66 -9.063 28.999 -14.615 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.730 30.947 -16.136 1.00100.00 C ATOM 0 H VAL A 66 -6.665 29.489 -17.904 1.00100.00 H new ATOM 0 HA VAL A 66 -6.605 29.899 -15.008 1.00100.00 H new ATOM 0 HB VAL A 66 -8.811 28.881 -16.749 1.00100.00 H new ATOM 0 HG11 VAL A 66 -10.142 29.141 -14.673 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.844 27.943 -14.459 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.665 29.579 -13.782 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.810 31.086 -16.187 1.00100.00 H new ATOM 0 HG22 VAL A 66 -8.328 31.530 -15.307 1.00100.00 H new ATOM 0 HG23 VAL A 66 -8.277 31.282 -17.069 1.00100.00 H new ATOM 1011 N VAL A 67 -5.715 27.641 -14.591 1.00100.00 N ATOM 1012 CA VAL A 67 -5.220 26.373 -14.123 1.00100.00 C ATOM 1013 C VAL A 67 -5.622 26.440 -12.675 1.00100.00 C ATOM 1014 O VAL A 67 -5.480 27.487 -12.037 1.00100.00 O ATOM 1015 CB VAL A 67 -3.704 26.215 -14.189 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.291 24.828 -13.700 1.00100.00 C ATOM 1017 CG2 VAL A 67 -3.230 26.408 -15.628 1.00100.00 C ATOM 0 H VAL A 67 -5.365 28.422 -14.036 1.00100.00 H new ATOM 0 HA VAL A 67 -5.605 25.547 -14.721 1.00100.00 H new ATOM 0 HB VAL A 67 -3.246 26.967 -13.547 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.207 24.731 -13.753 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.617 24.694 -12.669 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.754 24.068 -14.329 1.00100.00 H new ATOM 0 HG21 VAL A 67 -2.147 26.295 -15.673 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.700 25.662 -16.269 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.505 27.405 -15.971 1.00100.00 H new ATOM 1027 N PHE A 68 -6.185 25.334 -12.130 1.00100.00 N ATOM 1028 CA PHE A 68 -6.604 25.321 -10.748 1.00100.00 C ATOM 1029 C PHE A 68 -5.363 25.459 -9.879 1.00100.00 C ATOM 1030 O PHE A 68 -5.369 26.228 -8.916 1.00100.00 O ATOM 1031 CB PHE A 68 -7.418 24.063 -10.352 1.00100.00 C ATOM 1032 CG PHE A 68 -8.095 24.243 -9.011 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.269 25.003 -8.924 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.529 23.696 -7.851 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.882 25.214 -7.681 1.00100.00 C ATOM 1036 CE2 PHE A 68 -8.146 23.900 -6.609 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.319 24.664 -6.522 1.00100.00 C ATOM 0 H PHE A 68 -6.348 24.463 -12.635 1.00100.00 H new ATOM 0 HA PHE A 68 -7.286 26.157 -10.595 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.168 23.858 -11.116 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.757 23.197 -10.314 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.703 25.428 -9.817 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.619 23.118 -7.914 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.787 25.800 -7.617 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.717 23.468 -5.717 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.788 24.828 -5.563 1.00100.00 H new ATOM 1047 N GLU A 69 -4.261 24.750 -10.237 1.00100.00 N ATOM 1048 CA GLU A 69 -3.036 24.834 -9.485 1.00100.00 C ATOM 1049 C GLU A 69 -2.238 25.999 -9.987 1.00100.00 C ATOM 1050 O GLU A 69 -1.444 25.892 -10.926 1.00100.00 O ATOM 1051 CB GLU A 69 -2.133 23.588 -9.559 1.00100.00 C ATOM 1052 CG GLU A 69 -2.844 22.378 -8.959 1.00100.00 C ATOM 1053 CD GLU A 69 -1.940 21.153 -8.985 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.735 20.623 -10.098 1.00100.00 O ATOM 1055 OE2 GLU A 69 -1.473 20.769 -7.891 1.00100.00 O ATOM 0 H GLU A 69 -4.221 24.124 -11.041 1.00100.00 H new ATOM 0 HA GLU A 69 -3.344 24.937 -8.444 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.868 23.384 -10.597 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.202 23.773 -9.023 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.139 22.596 -7.933 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.758 22.173 -9.517 1.00100.00 H new ATOM 1062 N THR A 70 -2.495 27.166 -9.374 1.00100.00 N ATOM 1063 CA THR A 70 -1.799 28.378 -9.694 1.00100.00 C ATOM 1064 C THR A 70 -1.378 28.905 -8.352 1.00100.00 C ATOM 1065 O THR A 70 -2.123 28.819 -7.373 1.00100.00 O ATOM 1066 CB THR A 70 -2.642 29.420 -10.406 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.104 28.879 -11.624 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.822 30.675 -10.706 1.00100.00 C ATOM 0 H THR A 70 -3.198 27.274 -8.643 1.00100.00 H new ATOM 0 HA THR A 70 -0.984 28.172 -10.388 1.00100.00 H new ATOM 0 HB THR A 70 -3.477 29.692 -9.761 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.961 28.427 -11.477 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.449 31.406 -11.216 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.454 31.101 -9.773 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.977 30.414 -11.343 1.00100.00 H new ATOM 1076 N GLN A 71 -0.138 29.424 -8.275 1.00100.00 N ATOM 1077 CA GLN A 71 0.367 29.977 -7.051 1.00100.00 C ATOM 1078 C GLN A 71 0.553 31.469 -7.320 1.00100.00 C ATOM 1079 O GLN A 71 1.193 31.826 -8.346 1.00100.00 O ATOM 1080 CB GLN A 71 1.702 29.349 -6.605 1.00100.00 C ATOM 1081 CG GLN A 71 1.484 28.463 -5.377 1.00100.00 C ATOM 1082 CD GLN A 71 0.444 27.380 -5.630 1.00100.00 C ATOM 1083 OE1 GLN A 71 -0.580 27.332 -4.952 1.00100.00 O ATOM 1084 NE2 GLN A 71 0.706 26.508 -6.607 1.00100.00 N ATOM 1085 OXT GLN A 71 0.051 32.261 -6.494 1.00100.00 O ATOM 0 H GLN A 71 0.515 29.462 -9.058 1.00100.00 H new ATOM 0 HA GLN A 71 -0.331 29.775 -6.239 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.124 28.759 -7.418 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.422 30.134 -6.373 1.00100.00 H new ATOM 0 HG2 GLN A 71 2.428 27.999 -5.093 1.00100.00 H new ATOM 0 HG3 GLN A 71 1.167 29.080 -4.537 1.00100.00 H new ATOM 0 HE21 GLN A 71 1.570 26.588 -7.143 1.00100.00 H new ATOM 0 HE22 GLN A 71 0.042 25.762 -6.817 1.00100.00 H new