USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 660 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 4 SER OG : rot -67:sc= -0.184! USER MOD Set 1.2: A 7 SER OG : rot -17:sc= 0.307 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.0664 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 3 MET CE :methyl 154:sc= -0.13 (180deg=-1.17) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -35:sc= -0.0913 USER MOD Single : A 22 CYS SG : rot 146:sc= -2.77! USER MOD Single : A 26 HIS : no HD1:sc= -0.453 K(o=-0.45,f=-1.1) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 45:sc= -0.399 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=-0.29) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -27:sc= 0.219 USER MOD Single : A 73 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-4.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -92:sc= 0.794 USER MOD Single : A 81 THR OG1 : rot 105:sc= 1.27 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.800 -14.996 -20.831 1.00 0.00 N ATOM 2 CA GLY A 1 11.395 -13.699 -20.218 1.00 0.00 C ATOM 3 C GLY A 1 10.575 -13.964 -18.962 1.00 0.00 C ATOM 4 O GLY A 1 9.908 -14.994 -18.849 1.00 0.00 O ATOM 0 H1 GLY A 1 11.550 -14.996 -21.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.827 -15.122 -20.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.306 -15.776 -20.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.278 -13.110 -19.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.811 -13.115 -20.930 1.00 0.00 H new ATOM 10 N HIS A 2 10.627 -13.031 -18.017 1.00 0.00 N ATOM 11 CA HIS A 2 9.884 -13.173 -16.769 1.00 0.00 C ATOM 12 C HIS A 2 10.013 -14.595 -16.226 1.00 0.00 C ATOM 13 O HIS A 2 9.203 -15.466 -16.544 1.00 0.00 O ATOM 14 CB HIS A 2 8.408 -12.846 -17.002 1.00 0.00 C ATOM 15 CG HIS A 2 8.282 -11.452 -17.551 1.00 0.00 C ATOM 16 ND1 HIS A 2 8.209 -11.199 -18.912 1.00 0.00 N ATOM 17 CD2 HIS A 2 8.217 -10.226 -16.936 1.00 0.00 C ATOM 18 CE1 HIS A 2 8.105 -9.866 -19.070 1.00 0.00 C ATOM 19 NE2 HIS A 2 8.105 -9.227 -17.898 1.00 0.00 N ATOM 0 H HIS A 2 11.173 -12.172 -18.090 1.00 0.00 H new ATOM 0 HA HIS A 2 10.300 -12.479 -16.039 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.972 -13.563 -17.698 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.854 -12.931 -16.067 1.00 0.00 H new ATOM 0 HD2 HIS A 2 8.248 -10.062 -15.869 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.031 -9.374 -20.028 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.037 -8.221 -17.741 1.00 0.00 H new ATOM 28 N MET A 3 11.038 -14.821 -15.412 1.00 0.00 N ATOM 29 CA MET A 3 11.264 -16.141 -14.835 1.00 0.00 C ATOM 30 C MET A 3 10.116 -16.524 -13.908 1.00 0.00 C ATOM 31 O MET A 3 9.976 -17.687 -13.533 1.00 0.00 O ATOM 32 CB MET A 3 12.579 -16.149 -14.054 1.00 0.00 C ATOM 33 CG MET A 3 13.752 -16.027 -15.028 1.00 0.00 C ATOM 34 SD MET A 3 15.294 -15.864 -14.094 1.00 0.00 S ATOM 35 CE MET A 3 15.283 -17.507 -13.338 1.00 0.00 C ATOM 0 H MET A 3 11.720 -14.114 -15.138 1.00 0.00 H new ATOM 0 HA MET A 3 11.318 -16.868 -15.645 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.596 -15.324 -13.342 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.666 -17.070 -13.477 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.796 -16.904 -15.673 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.613 -15.161 -15.676 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.305 -17.808 -13.107 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.696 -17.481 -12.420 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.842 -18.223 -14.031 1.00 0.00 H new ATOM 45 N SER A 4 9.301 -15.539 -13.543 1.00 0.00 N ATOM 46 CA SER A 4 8.169 -15.785 -12.657 1.00 0.00 C ATOM 47 C SER A 4 8.651 -16.204 -11.270 1.00 0.00 C ATOM 48 O SER A 4 8.315 -17.283 -10.781 1.00 0.00 O ATOM 49 CB SER A 4 7.279 -16.882 -13.248 1.00 0.00 C ATOM 50 OG SER A 4 7.775 -18.158 -12.865 1.00 0.00 O ATOM 0 H SER A 4 9.402 -14.570 -13.845 1.00 0.00 H new ATOM 0 HA SER A 4 7.596 -14.863 -12.561 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.254 -16.760 -12.899 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.257 -16.800 -14.335 1.00 0.00 H new ATOM 0 HG SER A 4 8.643 -18.314 -13.293 1.00 0.00 H new ATOM 56 N ASP A 5 9.441 -15.344 -10.641 1.00 0.00 N ATOM 57 CA ASP A 5 9.964 -15.639 -9.312 1.00 0.00 C ATOM 58 C ASP A 5 8.828 -15.778 -8.305 1.00 0.00 C ATOM 59 O ASP A 5 8.728 -16.781 -7.600 1.00 0.00 O ATOM 60 CB ASP A 5 10.908 -14.522 -8.865 1.00 0.00 C ATOM 61 CG ASP A 5 12.194 -14.570 -9.679 1.00 0.00 C ATOM 62 OD1 ASP A 5 12.434 -15.584 -10.313 1.00 0.00 O ATOM 63 OD2 ASP A 5 12.923 -13.591 -9.657 1.00 0.00 O ATOM 0 H ASP A 5 9.732 -14.445 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 5 10.509 -16.582 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.424 -13.553 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.135 -14.629 -7.804 1.00 0.00 H new ATOM 68 N LEU A 6 7.968 -14.768 -8.243 1.00 0.00 N ATOM 69 CA LEU A 6 6.838 -14.793 -7.316 1.00 0.00 C ATOM 70 C LEU A 6 5.662 -15.552 -7.927 1.00 0.00 C ATOM 71 O LEU A 6 4.654 -15.791 -7.267 1.00 0.00 O ATOM 72 CB LEU A 6 6.418 -13.358 -6.982 1.00 0.00 C ATOM 73 CG LEU A 6 5.753 -12.706 -8.220 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.234 -12.676 -8.025 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.277 -11.282 -8.389 1.00 0.00 C ATOM 0 H LEU A 6 8.028 -13.927 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 6 7.141 -15.304 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.723 -13.359 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.288 -12.776 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 6 5.992 -13.286 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.764 -12.217 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.862 -13.694 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.993 -12.095 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.809 -10.823 -9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.039 -10.699 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.358 -11.306 -8.528 1.00 0.00 H new ATOM 87 N SER A 7 5.799 -15.923 -9.196 1.00 0.00 N ATOM 88 CA SER A 7 4.745 -16.649 -9.891 1.00 0.00 C ATOM 89 C SER A 7 3.398 -15.972 -9.677 1.00 0.00 C ATOM 90 O SER A 7 3.323 -14.768 -9.486 1.00 0.00 O ATOM 91 CB SER A 7 4.683 -18.082 -9.373 1.00 0.00 C ATOM 92 OG SER A 7 5.981 -18.662 -9.431 1.00 0.00 O ATOM 0 H SER A 7 6.627 -15.733 -9.761 1.00 0.00 H new ATOM 0 HA SER A 7 4.970 -16.653 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.313 -18.094 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.984 -18.667 -9.971 1.00 0.00 H new ATOM 0 HG SER A 7 6.549 -18.133 -10.028 1.00 0.00 H new ATOM 98 N THR A 8 2.332 -16.760 -9.709 1.00 0.00 N ATOM 99 CA THR A 8 0.989 -16.225 -9.511 1.00 0.00 C ATOM 100 C THR A 8 0.642 -16.207 -8.031 1.00 0.00 C ATOM 101 O THR A 8 -0.526 -16.094 -7.656 1.00 0.00 O ATOM 102 CB THR A 8 -0.034 -17.085 -10.261 1.00 0.00 C ATOM 103 OG1 THR A 8 0.315 -18.457 -10.129 1.00 0.00 O ATOM 104 CG2 THR A 8 -0.047 -16.697 -11.741 1.00 0.00 C ATOM 0 H THR A 8 2.369 -17.767 -9.869 1.00 0.00 H new ATOM 0 HA THR A 8 0.962 -15.207 -9.898 1.00 0.00 H new ATOM 0 HB THR A 8 -1.025 -16.920 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.339 -19.008 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.775 -17.310 -12.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.318 -15.646 -11.839 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.943 -16.858 -12.168 1.00 0.00 H new ATOM 112 N ALA A 9 1.662 -16.320 -7.186 1.00 0.00 N ATOM 113 CA ALA A 9 1.457 -16.320 -5.737 1.00 0.00 C ATOM 114 C ALA A 9 2.404 -15.332 -5.064 1.00 0.00 C ATOM 115 O ALA A 9 3.424 -15.721 -4.497 1.00 0.00 O ATOM 116 CB ALA A 9 1.694 -17.718 -5.182 1.00 0.00 C ATOM 0 H ALA A 9 2.636 -16.412 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 9 0.430 -16.017 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.540 -17.712 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.996 -18.416 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.716 -18.028 -5.401 1.00 0.00 H new ATOM 122 N PRO A 10 2.073 -14.069 -5.106 1.00 0.00 N ATOM 123 CA PRO A 10 2.899 -12.998 -4.484 1.00 0.00 C ATOM 124 C PRO A 10 3.177 -13.272 -3.012 1.00 0.00 C ATOM 125 O PRO A 10 2.389 -13.935 -2.339 1.00 0.00 O ATOM 126 CB PRO A 10 2.050 -11.733 -4.652 1.00 0.00 C ATOM 127 CG PRO A 10 1.139 -12.018 -5.800 1.00 0.00 C ATOM 128 CD PRO A 10 0.877 -13.523 -5.764 1.00 0.00 C ATOM 0 HA PRO A 10 3.881 -12.919 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.484 -11.516 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.676 -10.863 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.209 -11.457 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.597 -11.724 -6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.030 -13.758 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.750 -13.931 -6.767 1.00 0.00 H new ATOM 136 N THR A 11 4.304 -12.759 -2.516 1.00 0.00 N ATOM 137 CA THR A 11 4.677 -12.957 -1.113 1.00 0.00 C ATOM 138 C THR A 11 4.659 -11.631 -0.368 1.00 0.00 C ATOM 139 O THR A 11 4.792 -10.568 -0.958 1.00 0.00 O ATOM 140 CB THR A 11 6.073 -13.573 -1.034 1.00 0.00 C ATOM 141 OG1 THR A 11 6.113 -14.756 -1.819 1.00 0.00 O ATOM 142 CG2 THR A 11 6.394 -13.913 0.422 1.00 0.00 C ATOM 0 H THR A 11 4.969 -12.208 -3.058 1.00 0.00 H new ATOM 0 HA THR A 11 3.956 -13.630 -0.649 1.00 0.00 H new ATOM 0 HB THR A 11 6.808 -12.863 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.009 -15.151 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.390 -14.353 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.362 -13.004 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.660 -14.624 0.800 1.00 0.00 H new ATOM 150 N LEU A 12 4.487 -11.699 0.938 1.00 0.00 N ATOM 151 CA LEU A 12 4.434 -10.491 1.754 1.00 0.00 C ATOM 152 C LEU A 12 5.560 -9.539 1.396 1.00 0.00 C ATOM 153 O LEU A 12 5.358 -8.327 1.332 1.00 0.00 O ATOM 154 CB LEU A 12 4.553 -10.860 3.238 1.00 0.00 C ATOM 155 CG LEU A 12 3.341 -11.734 3.661 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.802 -13.173 3.894 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.730 -11.179 4.951 1.00 0.00 C ATOM 0 H LEU A 12 4.382 -12.570 1.459 1.00 0.00 H new ATOM 0 HA LEU A 12 3.480 -9.999 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.483 -11.401 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.591 -9.956 3.845 1.00 0.00 H new ATOM 0 HG LEU A 12 2.592 -11.716 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.950 -13.785 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.231 -13.571 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.554 -13.191 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.880 -11.794 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.479 -11.192 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.396 -10.155 4.784 1.00 0.00 H new ATOM 169 N ASP A 13 6.742 -10.088 1.177 1.00 0.00 N ATOM 170 CA ASP A 13 7.896 -9.272 0.847 1.00 0.00 C ATOM 171 C ASP A 13 7.655 -8.478 -0.432 1.00 0.00 C ATOM 172 O ASP A 13 7.970 -7.299 -0.494 1.00 0.00 O ATOM 173 CB ASP A 13 9.126 -10.155 0.646 1.00 0.00 C ATOM 174 CG ASP A 13 9.170 -11.244 1.722 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.666 -10.996 2.807 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.691 -12.312 1.442 1.00 0.00 O ATOM 0 H ASP A 13 6.927 -11.090 1.221 1.00 0.00 H new ATOM 0 HA ASP A 13 8.061 -8.582 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.099 -10.611 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.031 -9.549 0.693 1.00 0.00 H new ATOM 181 N SER A 14 7.085 -9.135 -1.443 1.00 0.00 N ATOM 182 CA SER A 14 6.808 -8.475 -2.709 1.00 0.00 C ATOM 183 C SER A 14 5.773 -7.364 -2.530 1.00 0.00 C ATOM 184 O SER A 14 5.873 -6.296 -3.148 1.00 0.00 O ATOM 185 CB SER A 14 6.319 -9.490 -3.730 1.00 0.00 C ATOM 186 OG SER A 14 5.143 -10.116 -3.253 1.00 0.00 O ATOM 0 H SER A 14 6.810 -10.116 -1.406 1.00 0.00 H new ATOM 0 HA SER A 14 7.732 -8.024 -3.070 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.120 -8.997 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.091 -10.237 -3.914 1.00 0.00 H new ATOM 0 HG SER A 14 5.202 -10.226 -2.281 1.00 0.00 H new ATOM 192 N LEU A 15 4.781 -7.615 -1.691 1.00 0.00 N ATOM 193 CA LEU A 15 3.753 -6.618 -1.435 1.00 0.00 C ATOM 194 C LEU A 15 4.320 -5.521 -0.555 1.00 0.00 C ATOM 195 O LEU A 15 4.479 -4.386 -0.992 1.00 0.00 O ATOM 196 CB LEU A 15 2.542 -7.284 -0.746 1.00 0.00 C ATOM 197 CG LEU A 15 1.695 -8.018 -1.785 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.590 -8.796 -2.743 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.765 -8.994 -1.067 1.00 0.00 C ATOM 0 H LEU A 15 4.665 -8.490 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 15 3.424 -6.182 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.885 -7.983 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.940 -6.530 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 15 1.116 -7.290 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.973 -9.314 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.262 -8.107 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.176 -9.525 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.156 -9.523 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.358 -9.713 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.116 -8.444 -0.386 1.00 0.00 H new ATOM 211 N ARG A 16 4.615 -5.858 0.684 1.00 0.00 N ATOM 212 CA ARG A 16 5.133 -4.868 1.623 1.00 0.00 C ATOM 213 C ARG A 16 6.060 -3.882 0.905 1.00 0.00 C ATOM 214 O ARG A 16 5.877 -2.653 0.986 1.00 0.00 O ATOM 215 CB ARG A 16 5.918 -5.584 2.721 1.00 0.00 C ATOM 216 CG ARG A 16 6.554 -4.542 3.673 1.00 0.00 C ATOM 217 CD ARG A 16 8.031 -4.331 3.309 1.00 0.00 C ATOM 218 NE ARG A 16 8.714 -3.648 4.391 1.00 0.00 N ATOM 219 CZ ARG A 16 8.662 -2.328 4.510 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.980 -1.622 3.649 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.291 -1.737 5.486 1.00 0.00 N ATOM 0 H ARG A 16 4.509 -6.797 1.067 1.00 0.00 H new ATOM 0 HA ARG A 16 4.297 -4.317 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.257 -6.246 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.694 -6.208 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.015 -3.597 3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.470 -4.881 4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.508 -5.292 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.109 -3.747 2.392 1.00 0.00 H new ATOM 0 HE ARG A 16 9.243 -4.192 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.488 -2.086 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.940 -0.607 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.823 -2.289 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.251 -0.722 5.578 1.00 0.00 H new ATOM 235 N VAL A 17 7.036 -4.419 0.179 1.00 0.00 N ATOM 236 CA VAL A 17 7.974 -3.580 -0.559 1.00 0.00 C ATOM 237 C VAL A 17 7.238 -2.737 -1.594 1.00 0.00 C ATOM 238 O VAL A 17 7.602 -1.590 -1.846 1.00 0.00 O ATOM 239 CB VAL A 17 9.013 -4.459 -1.263 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.718 -5.364 -0.225 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.325 -5.326 -2.308 1.00 0.00 C ATOM 0 H VAL A 17 7.197 -5.422 0.086 1.00 0.00 H new ATOM 0 HA VAL A 17 8.473 -2.916 0.146 1.00 0.00 H new ATOM 0 HB VAL A 17 9.752 -3.822 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.456 -5.988 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.215 -4.744 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.980 -5.999 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.066 -5.950 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.583 -5.961 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.833 -4.689 -3.043 1.00 0.00 H new ATOM 251 N TRP A 18 6.204 -3.316 -2.197 1.00 0.00 N ATOM 252 CA TRP A 18 5.432 -2.590 -3.193 1.00 0.00 C ATOM 253 C TRP A 18 4.804 -1.343 -2.579 1.00 0.00 C ATOM 254 O TRP A 18 4.884 -0.263 -3.142 1.00 0.00 O ATOM 255 CB TRP A 18 4.327 -3.517 -3.767 1.00 0.00 C ATOM 256 CG TRP A 18 2.968 -3.038 -3.351 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.239 -3.510 -2.316 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.197 -1.936 -3.904 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.076 -2.815 -2.224 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.997 -1.823 -3.173 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.408 -1.033 -4.969 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.041 -0.861 -3.480 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.450 -0.066 -5.281 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.267 0.013 -4.533 1.00 0.00 C ATOM 0 H TRP A 18 5.887 -4.269 -2.016 1.00 0.00 H new ATOM 0 HA TRP A 18 6.097 -2.277 -3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.393 -3.540 -4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.482 -4.537 -3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.536 -4.317 -1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.349 -3.006 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.318 -1.091 -5.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.870 -0.795 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.620 0.620 -6.097 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.474 0.760 -4.778 1.00 0.00 H new ATOM 275 N LEU A 19 4.139 -1.518 -1.447 1.00 0.00 N ATOM 276 CA LEU A 19 3.470 -0.406 -0.795 1.00 0.00 C ATOM 277 C LEU A 19 4.443 0.725 -0.545 1.00 0.00 C ATOM 278 O LEU A 19 4.249 1.853 -1.033 1.00 0.00 O ATOM 279 CB LEU A 19 2.876 -0.884 0.549 1.00 0.00 C ATOM 280 CG LEU A 19 1.345 -1.073 0.425 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.908 -2.281 1.229 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.639 0.188 0.936 1.00 0.00 C ATOM 0 H LEU A 19 4.049 -2.412 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 19 2.673 -0.043 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.342 -1.823 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.097 -0.157 1.331 1.00 0.00 H new ATOM 0 HG LEU A 19 1.079 -1.236 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.171 -2.408 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.412 -3.171 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.168 -2.134 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.440 0.061 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.904 0.355 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.951 1.046 0.341 1.00 0.00 H new ATOM 294 N VAL A 20 5.491 0.444 0.233 1.00 0.00 N ATOM 295 CA VAL A 20 6.466 1.472 0.548 1.00 0.00 C ATOM 296 C VAL A 20 7.082 2.037 -0.726 1.00 0.00 C ATOM 297 O VAL A 20 7.153 3.253 -0.898 1.00 0.00 O ATOM 298 CB VAL A 20 7.571 0.870 1.433 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.163 -0.363 0.752 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.674 1.908 1.655 1.00 0.00 C ATOM 0 H VAL A 20 5.678 -0.470 0.646 1.00 0.00 H new ATOM 0 HA VAL A 20 5.965 2.282 1.079 1.00 0.00 H new ATOM 0 HB VAL A 20 7.144 0.582 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.945 -0.786 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.380 -1.105 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.587 -0.078 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.456 1.480 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.098 2.199 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.254 2.785 2.147 1.00 0.00 H new ATOM 310 N ASP A 21 7.530 1.150 -1.605 1.00 0.00 N ATOM 311 CA ASP A 21 8.148 1.579 -2.851 1.00 0.00 C ATOM 312 C ASP A 21 7.185 2.466 -3.636 1.00 0.00 C ATOM 313 O ASP A 21 7.602 3.415 -4.310 1.00 0.00 O ATOM 314 CB ASP A 21 8.514 0.353 -3.694 1.00 0.00 C ATOM 315 CG ASP A 21 9.196 0.794 -4.985 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.253 1.987 -5.225 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.656 -0.070 -5.715 1.00 0.00 O ATOM 0 H ASP A 21 7.478 0.139 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 21 9.050 2.146 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.176 -0.303 -3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.617 -0.221 -3.925 1.00 0.00 H new ATOM 322 N CYS A 22 5.895 2.159 -3.537 1.00 0.00 N ATOM 323 CA CYS A 22 4.883 2.939 -4.237 1.00 0.00 C ATOM 324 C CYS A 22 4.901 4.388 -3.767 1.00 0.00 C ATOM 325 O CYS A 22 4.922 5.316 -4.582 1.00 0.00 O ATOM 326 CB CYS A 22 3.496 2.344 -3.992 1.00 0.00 C ATOM 327 SG CYS A 22 2.332 3.042 -5.178 1.00 0.00 S ATOM 0 H CYS A 22 5.529 1.383 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 22 5.108 2.909 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.530 1.259 -4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.170 2.559 -2.975 1.00 0.00 H new ATOM 0 HG CYS A 22 1.453 2.142 -5.505 1.00 0.00 H new ATOM 333 N VAL A 23 4.895 4.580 -2.448 1.00 0.00 N ATOM 334 CA VAL A 23 4.905 5.929 -1.898 1.00 0.00 C ATOM 335 C VAL A 23 6.205 6.636 -2.286 1.00 0.00 C ATOM 336 O VAL A 23 6.192 7.765 -2.775 1.00 0.00 O ATOM 337 CB VAL A 23 4.795 5.864 -0.376 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.671 7.286 0.204 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.563 5.045 0.015 1.00 0.00 C ATOM 0 H VAL A 23 4.883 3.832 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 23 4.058 6.485 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 23 5.691 5.390 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.593 7.231 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.552 7.868 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.780 7.767 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.486 5.000 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.669 5.516 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.656 4.035 -0.385 1.00 0.00 H new ATOM 349 N ALA A 24 7.345 5.978 -2.049 1.00 0.00 N ATOM 350 CA ALA A 24 8.637 6.573 -2.368 1.00 0.00 C ATOM 351 C ALA A 24 8.592 7.196 -3.755 1.00 0.00 C ATOM 352 O ALA A 24 8.907 8.359 -3.919 1.00 0.00 O ATOM 353 CB ALA A 24 9.719 5.490 -2.326 1.00 0.00 C ATOM 0 H ALA A 24 7.395 5.044 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 24 8.867 7.348 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.686 5.933 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.756 5.051 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.486 4.714 -3.055 1.00 0.00 H new ATOM 359 N GLY A 25 8.199 6.406 -4.748 1.00 0.00 N ATOM 360 CA GLY A 25 8.113 6.907 -6.113 1.00 0.00 C ATOM 361 C GLY A 25 7.074 8.019 -6.209 1.00 0.00 C ATOM 362 O GLY A 25 7.297 9.043 -6.857 1.00 0.00 O ATOM 0 H GLY A 25 7.938 5.427 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.086 7.282 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.848 6.094 -6.789 1.00 0.00 H new ATOM 366 N HIS A 26 5.927 7.814 -5.565 1.00 0.00 N ATOM 367 CA HIS A 26 4.860 8.804 -5.600 1.00 0.00 C ATOM 368 C HIS A 26 5.375 10.170 -5.174 1.00 0.00 C ATOM 369 O HIS A 26 5.233 11.152 -5.909 1.00 0.00 O ATOM 370 CB HIS A 26 3.736 8.391 -4.648 1.00 0.00 C ATOM 371 CG HIS A 26 2.653 9.433 -4.651 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.466 10.299 -5.712 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.697 9.761 -3.721 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.434 11.104 -5.404 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.925 10.820 -4.201 1.00 0.00 N ATOM 0 H HIS A 26 5.716 6.979 -5.018 1.00 0.00 H new ATOM 0 HA HIS A 26 4.488 8.861 -6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.326 7.428 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.130 8.266 -3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.563 9.275 -2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.062 11.885 -6.050 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.142 11.278 -3.735 1.00 0.00 H new ATOM 384 N LEU A 27 5.986 10.235 -3.987 1.00 0.00 N ATOM 385 CA LEU A 27 6.515 11.504 -3.491 1.00 0.00 C ATOM 386 C LEU A 27 7.928 11.743 -4.004 1.00 0.00 C ATOM 387 O LEU A 27 8.318 12.872 -4.277 1.00 0.00 O ATOM 388 CB LEU A 27 6.516 11.482 -1.964 1.00 0.00 C ATOM 389 CG LEU A 27 5.075 11.465 -1.449 1.00 0.00 C ATOM 390 CD1 LEU A 27 5.071 11.246 0.068 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.389 12.806 -1.772 1.00 0.00 C ATOM 0 H LEU A 27 6.124 9.439 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 27 5.882 12.314 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.052 10.604 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.040 12.356 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 27 4.533 10.654 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.043 11.234 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.548 10.294 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.618 12.054 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.363 12.788 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.934 13.618 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.384 12.961 -2.851 1.00 0.00 H new ATOM 403 N GLY A 28 8.685 10.671 -4.143 1.00 0.00 N ATOM 404 CA GLY A 28 10.058 10.758 -4.640 1.00 0.00 C ATOM 405 C GLY A 28 11.073 10.692 -3.500 1.00 0.00 C ATOM 406 O GLY A 28 12.282 10.674 -3.736 1.00 0.00 O ATOM 0 H GLY A 28 8.377 9.724 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.244 9.945 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.188 11.690 -5.191 1.00 0.00 H new ATOM 410 N LEU A 29 10.578 10.672 -2.267 1.00 0.00 N ATOM 411 CA LEU A 29 11.447 10.612 -1.102 1.00 0.00 C ATOM 412 C LEU A 29 12.128 9.253 -1.018 1.00 0.00 C ATOM 413 O LEU A 29 11.962 8.413 -1.903 1.00 0.00 O ATOM 414 CB LEU A 29 10.636 10.857 0.171 1.00 0.00 C ATOM 415 CG LEU A 29 9.799 12.126 0.009 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.943 12.337 1.260 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.722 13.335 -0.189 1.00 0.00 C ATOM 0 H LEU A 29 9.581 10.696 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 29 12.209 11.386 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.987 10.004 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.304 10.957 1.026 1.00 0.00 H new ATOM 0 HG LEU A 29 9.152 12.021 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.346 13.242 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.282 11.481 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.590 12.438 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.121 14.237 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.373 13.441 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.329 13.187 -1.082 1.00 0.00 H new ATOM 429 N ASP A 30 12.910 9.049 0.039 1.00 0.00 N ATOM 430 CA ASP A 30 13.625 7.788 0.217 1.00 0.00 C ATOM 431 C ASP A 30 12.708 6.736 0.826 1.00 0.00 C ATOM 432 O ASP A 30 12.045 6.981 1.836 1.00 0.00 O ATOM 433 CB ASP A 30 14.834 8.003 1.123 1.00 0.00 C ATOM 434 CG ASP A 30 15.866 8.875 0.414 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.773 9.006 -0.796 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.733 9.402 1.092 1.00 0.00 O ATOM 0 H ASP A 30 13.064 9.734 0.779 1.00 0.00 H new ATOM 0 HA ASP A 30 13.960 7.437 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.522 8.477 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.277 7.043 1.387 1.00 0.00 H new ATOM 441 N ALA A 31 12.675 5.560 0.213 1.00 0.00 N ATOM 442 CA ALA A 31 11.836 4.473 0.696 1.00 0.00 C ATOM 443 C ALA A 31 12.134 4.150 2.152 1.00 0.00 C ATOM 444 O ALA A 31 11.223 3.880 2.948 1.00 0.00 O ATOM 445 CB ALA A 31 12.053 3.223 -0.147 1.00 0.00 C ATOM 0 H ALA A 31 13.220 5.335 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 31 10.799 4.798 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.419 2.418 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.797 3.435 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.098 2.920 -0.086 1.00 0.00 H new ATOM 451 N ALA A 32 13.411 4.198 2.511 1.00 0.00 N ATOM 452 CA ALA A 32 13.821 3.900 3.870 1.00 0.00 C ATOM 453 C ALA A 32 13.156 4.829 4.867 1.00 0.00 C ATOM 454 O ALA A 32 12.852 4.426 5.993 1.00 0.00 O ATOM 455 CB ALA A 32 15.345 4.019 3.994 1.00 0.00 C ATOM 0 H ALA A 32 14.175 4.440 1.880 1.00 0.00 H new ATOM 0 HA ALA A 32 13.511 2.880 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.645 3.794 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.822 3.314 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.653 5.034 3.740 1.00 0.00 H new ATOM 461 N THR A 33 12.964 6.081 4.466 1.00 0.00 N ATOM 462 CA THR A 33 12.356 7.078 5.347 1.00 0.00 C ATOM 463 C THR A 33 11.035 7.564 4.774 1.00 0.00 C ATOM 464 O THR A 33 10.735 8.763 4.813 1.00 0.00 O ATOM 465 CB THR A 33 13.321 8.260 5.532 1.00 0.00 C ATOM 466 OG1 THR A 33 13.997 8.514 4.312 1.00 0.00 O ATOM 467 CG2 THR A 33 14.346 7.928 6.623 1.00 0.00 C ATOM 0 H THR A 33 13.218 6.431 3.542 1.00 0.00 H new ATOM 0 HA THR A 33 12.160 6.619 6.316 1.00 0.00 H new ATOM 0 HB THR A 33 12.754 9.143 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.611 9.269 4.429 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.028 8.769 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.828 7.736 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.912 7.043 6.333 1.00 0.00 H new ATOM 475 N ILE A 34 10.248 6.638 4.251 1.00 0.00 N ATOM 476 CA ILE A 34 8.963 7.008 3.708 1.00 0.00 C ATOM 477 C ILE A 34 7.977 7.259 4.846 1.00 0.00 C ATOM 478 O ILE A 34 7.576 8.392 5.087 1.00 0.00 O ATOM 479 CB ILE A 34 8.450 5.874 2.770 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.792 6.234 1.322 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.931 5.696 2.894 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.943 7.429 0.858 1.00 0.00 C ATOM 0 H ILE A 34 10.475 5.645 4.194 1.00 0.00 H new ATOM 0 HA ILE A 34 9.058 7.925 3.126 1.00 0.00 H new ATOM 0 HB ILE A 34 8.932 4.941 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.851 6.478 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.611 5.376 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.603 4.898 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.678 5.438 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.432 6.626 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.195 7.676 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.886 7.171 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.145 8.289 1.497 1.00 0.00 H new ATOM 494 N ALA A 35 7.511 6.171 5.474 1.00 0.00 N ATOM 495 CA ALA A 35 6.524 6.266 6.524 1.00 0.00 C ATOM 496 C ALA A 35 5.867 4.913 6.770 1.00 0.00 C ATOM 497 O ALA A 35 4.766 4.847 7.321 1.00 0.00 O ATOM 498 CB ALA A 35 5.442 7.303 6.166 1.00 0.00 C ATOM 0 H ALA A 35 7.811 5.219 5.263 1.00 0.00 H new ATOM 0 HA ALA A 35 7.036 6.585 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.709 7.357 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.905 8.280 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.945 7.006 5.243 1.00 0.00 H new ATOM 504 N THR A 36 6.516 3.834 6.340 1.00 0.00 N ATOM 505 CA THR A 36 5.958 2.499 6.504 1.00 0.00 C ATOM 506 C THR A 36 5.244 2.372 7.834 1.00 0.00 C ATOM 507 O THR A 36 4.204 1.717 7.934 1.00 0.00 O ATOM 508 CB THR A 36 7.092 1.470 6.464 1.00 0.00 C ATOM 509 OG1 THR A 36 7.729 1.411 7.737 1.00 0.00 O ATOM 510 CG2 THR A 36 8.121 1.877 5.404 1.00 0.00 C ATOM 0 H THR A 36 7.425 3.860 5.878 1.00 0.00 H new ATOM 0 HA THR A 36 5.246 2.323 5.697 1.00 0.00 H new ATOM 0 HB THR A 36 6.679 0.492 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.453 0.751 7.710 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.926 1.143 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.639 1.922 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.531 2.856 5.652 1.00 0.00 H new ATOM 518 N ASP A 37 5.778 3.027 8.871 1.00 0.00 N ATOM 519 CA ASP A 37 5.160 2.991 10.184 1.00 0.00 C ATOM 520 C ASP A 37 4.274 4.213 10.409 1.00 0.00 C ATOM 521 O ASP A 37 3.397 4.203 11.276 1.00 0.00 O ATOM 522 CB ASP A 37 6.254 2.956 11.253 1.00 0.00 C ATOM 523 CG ASP A 37 7.018 1.639 11.171 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.399 0.639 10.847 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.208 1.646 11.441 1.00 0.00 O ATOM 0 H ASP A 37 6.632 3.583 8.819 1.00 0.00 H new ATOM 0 HA ASP A 37 4.537 2.099 10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.938 3.793 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.811 3.069 12.243 1.00 0.00 H new ATOM 530 N LEU A 38 4.509 5.264 9.634 1.00 0.00 N ATOM 531 CA LEU A 38 3.731 6.482 9.761 1.00 0.00 C ATOM 532 C LEU A 38 2.578 6.501 8.759 1.00 0.00 C ATOM 533 O LEU A 38 2.705 5.980 7.648 1.00 0.00 O ATOM 534 CB LEU A 38 4.624 7.710 9.533 1.00 0.00 C ATOM 535 CG LEU A 38 5.367 8.056 10.834 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.637 8.838 10.506 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.461 8.904 11.733 1.00 0.00 C ATOM 0 H LEU A 38 5.231 5.294 8.914 1.00 0.00 H new ATOM 0 HA LEU A 38 3.320 6.513 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.340 7.509 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.019 8.558 9.211 1.00 0.00 H new ATOM 0 HG LEU A 38 5.633 7.135 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.162 9.082 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.283 8.233 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.373 9.758 9.984 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.989 9.148 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.192 9.824 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.557 8.344 11.971 1.00 0.00 H new ATOM 549 N PRO A 39 1.469 7.102 9.120 1.00 0.00 N ATOM 550 CA PRO A 39 0.289 7.199 8.222 1.00 0.00 C ATOM 551 C PRO A 39 0.498 8.222 7.107 1.00 0.00 C ATOM 552 O PRO A 39 1.014 9.306 7.336 1.00 0.00 O ATOM 553 CB PRO A 39 -0.831 7.640 9.171 1.00 0.00 C ATOM 554 CG PRO A 39 -0.143 8.399 10.251 1.00 0.00 C ATOM 555 CD PRO A 39 1.226 7.748 10.420 1.00 0.00 C ATOM 0 HA PRO A 39 0.079 6.263 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.563 8.262 8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.369 6.781 9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.044 9.451 9.985 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.712 8.357 11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.994 8.486 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.227 7.023 11.234 1.00 0.00 H new ATOM 563 N LEU A 40 0.080 7.864 5.914 1.00 0.00 N ATOM 564 CA LEU A 40 0.204 8.757 4.760 1.00 0.00 C ATOM 565 C LEU A 40 -0.174 10.181 5.150 1.00 0.00 C ATOM 566 O LEU A 40 0.205 11.139 4.482 1.00 0.00 O ATOM 567 CB LEU A 40 -0.705 8.275 3.621 1.00 0.00 C ATOM 568 CG LEU A 40 -2.113 7.944 4.178 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.013 9.174 4.083 1.00 0.00 C ATOM 570 CD2 LEU A 40 -2.724 6.814 3.364 1.00 0.00 C ATOM 0 H LEU A 40 -0.350 6.963 5.707 1.00 0.00 H new ATOM 0 HA LEU A 40 1.240 8.745 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.779 9.044 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.274 7.393 3.148 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.023 7.643 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.001 8.933 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.579 9.988 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.102 9.480 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.714 6.579 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.808 7.121 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.088 5.931 3.433 1.00 0.00 H new ATOM 582 N THR A 41 -0.937 10.308 6.236 1.00 0.00 N ATOM 583 CA THR A 41 -1.377 11.618 6.697 1.00 0.00 C ATOM 584 C THR A 41 -0.175 12.509 6.976 1.00 0.00 C ATOM 585 O THR A 41 -0.294 13.735 7.008 1.00 0.00 O ATOM 586 CB THR A 41 -2.214 11.474 7.972 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.440 10.836 8.965 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.457 10.636 7.680 1.00 0.00 C ATOM 0 H THR A 41 -1.259 9.526 6.806 1.00 0.00 H new ATOM 0 HA THR A 41 -1.986 12.073 5.916 1.00 0.00 H new ATOM 0 HB THR A 41 -2.520 12.461 8.320 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.971 10.743 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.050 10.536 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.053 11.126 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.156 9.648 7.332 1.00 0.00 H new ATOM 596 N SER A 42 0.986 11.891 7.165 1.00 0.00 N ATOM 597 CA SER A 42 2.206 12.642 7.430 1.00 0.00 C ATOM 598 C SER A 42 2.530 13.562 6.258 1.00 0.00 C ATOM 599 O SER A 42 3.210 14.576 6.423 1.00 0.00 O ATOM 600 CB SER A 42 3.372 11.675 7.662 1.00 0.00 C ATOM 601 OG SER A 42 4.457 12.387 8.242 1.00 0.00 O ATOM 0 H SER A 42 1.107 10.879 7.140 1.00 0.00 H new ATOM 0 HA SER A 42 2.054 13.249 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.062 10.862 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.680 11.223 6.719 1.00 0.00 H new ATOM 0 HG SER A 42 5.206 11.774 8.395 1.00 0.00 H new ATOM 607 N TYR A 43 2.050 13.198 5.074 1.00 0.00 N ATOM 608 CA TYR A 43 2.299 13.998 3.878 1.00 0.00 C ATOM 609 C TYR A 43 1.312 15.157 3.795 1.00 0.00 C ATOM 610 O TYR A 43 1.438 16.031 2.937 1.00 0.00 O ATOM 611 CB TYR A 43 2.168 13.125 2.630 1.00 0.00 C ATOM 612 CG TYR A 43 3.067 11.919 2.757 1.00 0.00 C ATOM 613 CD1 TYR A 43 4.446 12.087 2.949 1.00 0.00 C ATOM 614 CD2 TYR A 43 2.525 10.628 2.685 1.00 0.00 C ATOM 615 CE1 TYR A 43 5.273 10.970 3.069 1.00 0.00 C ATOM 616 CE2 TYR A 43 3.358 9.511 2.804 1.00 0.00 C ATOM 617 CZ TYR A 43 4.728 9.688 2.995 1.00 0.00 C ATOM 618 OH TYR A 43 5.544 8.602 3.118 1.00 0.00 O ATOM 0 H TYR A 43 1.490 12.360 4.916 1.00 0.00 H new ATOM 0 HA TYR A 43 3.311 14.400 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.133 12.808 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.436 13.699 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.867 13.080 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.463 10.496 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.335 11.098 3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.942 8.516 2.748 1.00 0.00 H new ATOM 0 HH TYR A 43 6.158 8.738 3.870 1.00 0.00 H new ATOM 628 N GLY A 44 0.352 15.175 4.711 1.00 0.00 N ATOM 629 CA GLY A 44 -0.631 16.252 4.747 1.00 0.00 C ATOM 630 C GLY A 44 -1.463 16.271 3.468 1.00 0.00 C ATOM 631 O GLY A 44 -2.203 17.220 3.217 1.00 0.00 O ATOM 0 H GLY A 44 0.233 14.464 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.285 16.124 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.124 17.209 4.870 1.00 0.00 H new ATOM 635 N LEU A 45 -1.314 15.229 2.660 1.00 0.00 N ATOM 636 CA LEU A 45 -2.048 15.153 1.403 1.00 0.00 C ATOM 637 C LEU A 45 -3.542 15.388 1.640 1.00 0.00 C ATOM 638 O LEU A 45 -4.104 14.936 2.637 1.00 0.00 O ATOM 639 CB LEU A 45 -1.824 13.776 0.763 1.00 0.00 C ATOM 640 CG LEU A 45 -2.657 12.711 1.491 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.468 11.358 0.816 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.205 12.632 2.954 1.00 0.00 C ATOM 0 H LEU A 45 -0.701 14.436 2.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.682 15.928 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.101 13.807 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.767 13.514 0.807 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.712 12.981 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.061 10.606 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.792 11.421 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.415 11.078 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.793 11.877 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.150 12.362 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.350 13.600 3.433 1.00 0.00 H new ATOM 654 N ASP A 46 -4.180 16.078 0.713 1.00 0.00 N ATOM 655 CA ASP A 46 -5.605 16.347 0.830 1.00 0.00 C ATOM 656 C ASP A 46 -6.423 15.089 0.551 1.00 0.00 C ATOM 657 O ASP A 46 -6.020 14.242 -0.228 1.00 0.00 O ATOM 658 CB ASP A 46 -6.007 17.449 -0.148 1.00 0.00 C ATOM 659 CG ASP A 46 -5.423 18.783 0.305 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.962 18.854 1.433 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.442 19.713 -0.484 1.00 0.00 O ATOM 0 H ASP A 46 -3.740 16.461 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.809 16.672 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.650 17.207 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.093 17.518 -0.205 1.00 0.00 H new ATOM 666 N SER A 47 -7.580 14.984 1.193 1.00 0.00 N ATOM 667 CA SER A 47 -8.444 13.824 1.004 1.00 0.00 C ATOM 668 C SER A 47 -8.650 13.545 -0.481 1.00 0.00 C ATOM 669 O SER A 47 -8.900 12.407 -0.879 1.00 0.00 O ATOM 670 CB SER A 47 -9.800 14.073 1.669 1.00 0.00 C ATOM 671 OG SER A 47 -9.638 14.074 3.081 1.00 0.00 O ATOM 0 H SER A 47 -7.940 15.682 1.844 1.00 0.00 H new ATOM 0 HA SER A 47 -7.965 12.958 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.211 15.027 1.338 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.510 13.301 1.374 1.00 0.00 H new ATOM 0 HG SER A 47 -10.504 14.235 3.510 1.00 0.00 H new ATOM 677 N VAL A 48 -8.545 14.588 -1.295 1.00 0.00 N ATOM 678 CA VAL A 48 -8.722 14.443 -2.734 1.00 0.00 C ATOM 679 C VAL A 48 -7.682 13.487 -3.308 1.00 0.00 C ATOM 680 O VAL A 48 -7.904 12.863 -4.347 1.00 0.00 O ATOM 681 CB VAL A 48 -8.596 15.806 -3.418 1.00 0.00 C ATOM 682 CG1 VAL A 48 -8.894 15.660 -4.911 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.593 16.783 -2.792 1.00 0.00 C ATOM 0 H VAL A 48 -8.339 15.538 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.716 14.035 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.583 16.185 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.804 16.632 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.184 14.964 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.907 15.280 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.504 17.755 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.606 16.403 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.380 16.889 -1.728 1.00 0.00 H new ATOM 693 N TYR A 49 -6.549 13.373 -2.626 1.00 0.00 N ATOM 694 CA TYR A 49 -5.485 12.486 -3.080 1.00 0.00 C ATOM 695 C TYR A 49 -5.973 11.043 -3.125 1.00 0.00 C ATOM 696 O TYR A 49 -5.792 10.347 -4.114 1.00 0.00 O ATOM 697 CB TYR A 49 -4.279 12.590 -2.133 1.00 0.00 C ATOM 698 CG TYR A 49 -3.454 13.803 -2.498 1.00 0.00 C ATOM 699 CD1 TYR A 49 -4.029 15.078 -2.466 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.111 13.649 -2.867 1.00 0.00 C ATOM 701 CE1 TYR A 49 -3.265 16.198 -2.804 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.349 14.766 -3.204 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.923 16.044 -3.173 1.00 0.00 C ATOM 704 OH TYR A 49 -1.168 17.150 -3.507 1.00 0.00 O ATOM 0 H TYR A 49 -6.344 13.879 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.188 12.789 -4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.620 12.666 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.670 11.689 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.064 15.197 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.667 12.665 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.709 17.182 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.314 14.647 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.258 16.868 -3.737 1.00 0.00 H new ATOM 714 N ALA A 50 -6.597 10.599 -2.045 1.00 0.00 N ATOM 715 CA ALA A 50 -7.092 9.231 -1.976 1.00 0.00 C ATOM 716 C ALA A 50 -7.864 8.874 -3.240 1.00 0.00 C ATOM 717 O ALA A 50 -7.606 7.855 -3.865 1.00 0.00 O ATOM 718 CB ALA A 50 -8.018 9.076 -0.764 1.00 0.00 C ATOM 0 H ALA A 50 -6.772 11.159 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.237 8.561 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.386 8.051 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.466 9.306 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.861 9.760 -0.860 1.00 0.00 H new ATOM 724 N LEU A 51 -8.793 9.723 -3.619 1.00 0.00 N ATOM 725 CA LEU A 51 -9.590 9.474 -4.810 1.00 0.00 C ATOM 726 C LEU A 51 -8.718 9.010 -5.976 1.00 0.00 C ATOM 727 O LEU A 51 -8.815 7.855 -6.430 1.00 0.00 O ATOM 728 CB LEU A 51 -10.334 10.748 -5.213 1.00 0.00 C ATOM 729 CG LEU A 51 -11.252 10.458 -6.430 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.609 11.125 -6.217 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.606 11.010 -7.705 1.00 0.00 C ATOM 0 H LEU A 51 -9.018 10.588 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.303 8.684 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.929 11.113 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.620 11.533 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.388 9.381 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.253 10.921 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.071 10.729 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.473 12.202 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.252 10.805 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.466 12.086 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.639 10.532 -7.859 1.00 0.00 H new ATOM 743 N SER A 52 -7.853 9.898 -6.450 1.00 0.00 N ATOM 744 CA SER A 52 -6.967 9.566 -7.555 1.00 0.00 C ATOM 745 C SER A 52 -5.925 8.537 -7.135 1.00 0.00 C ATOM 746 O SER A 52 -5.725 7.531 -7.810 1.00 0.00 O ATOM 747 CB SER A 52 -6.264 10.830 -8.053 1.00 0.00 C ATOM 748 OG SER A 52 -5.807 10.620 -9.387 1.00 0.00 O ATOM 0 H SER A 52 -7.747 10.846 -6.089 1.00 0.00 H new ATOM 0 HA SER A 52 -7.570 9.138 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.948 11.678 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.424 11.073 -7.402 1.00 0.00 H new ATOM 0 HG SER A 52 -5.357 11.429 -9.710 1.00 0.00 H new ATOM 754 N ILE A 53 -5.250 8.809 -6.026 1.00 0.00 N ATOM 755 CA ILE A 53 -4.221 7.906 -5.536 1.00 0.00 C ATOM 756 C ILE A 53 -4.786 6.530 -5.237 1.00 0.00 C ATOM 757 O ILE A 53 -4.438 5.557 -5.901 1.00 0.00 O ATOM 758 CB ILE A 53 -3.594 8.476 -4.260 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.950 9.838 -4.571 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.521 7.517 -3.736 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.836 9.670 -5.613 1.00 0.00 C ATOM 0 H ILE A 53 -5.396 9.641 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.466 7.809 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.369 8.599 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.706 10.530 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.542 10.273 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.078 7.927 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.974 6.551 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.746 7.390 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.387 10.640 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.073 8.995 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.255 9.255 -6.530 1.00 0.00 H new ATOM 773 N ALA A 54 -5.679 6.454 -4.257 1.00 0.00 N ATOM 774 CA ALA A 54 -6.282 5.184 -3.888 1.00 0.00 C ATOM 775 C ALA A 54 -6.743 4.423 -5.122 1.00 0.00 C ATOM 776 O ALA A 54 -6.651 3.194 -5.169 1.00 0.00 O ATOM 777 CB ALA A 54 -7.475 5.423 -2.954 1.00 0.00 C ATOM 0 H ALA A 54 -5.998 7.252 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.530 4.586 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.921 4.467 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.135 5.934 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.217 6.038 -3.462 1.00 0.00 H new ATOM 783 N ALA A 55 -7.226 5.161 -6.121 1.00 0.00 N ATOM 784 CA ALA A 55 -7.679 4.537 -7.357 1.00 0.00 C ATOM 785 C ALA A 55 -6.501 3.936 -8.118 1.00 0.00 C ATOM 786 O ALA A 55 -6.586 2.835 -8.629 1.00 0.00 O ATOM 787 CB ALA A 55 -8.381 5.573 -8.233 1.00 0.00 C ATOM 0 H ALA A 55 -7.312 6.177 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.377 3.739 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.718 5.101 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.240 5.979 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.687 6.379 -8.470 1.00 0.00 H new ATOM 793 N GLU A 56 -5.402 4.672 -8.182 1.00 0.00 N ATOM 794 CA GLU A 56 -4.214 4.198 -8.886 1.00 0.00 C ATOM 795 C GLU A 56 -3.587 3.010 -8.159 1.00 0.00 C ATOM 796 O GLU A 56 -3.290 1.963 -8.765 1.00 0.00 O ATOM 797 CB GLU A 56 -3.187 5.328 -8.996 1.00 0.00 C ATOM 798 CG GLU A 56 -3.681 6.383 -9.990 1.00 0.00 C ATOM 799 CD GLU A 56 -3.710 5.801 -11.399 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.008 4.828 -11.630 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.445 6.320 -12.221 1.00 0.00 O ATOM 0 H GLU A 56 -5.305 5.595 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.515 3.877 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.027 5.783 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.227 4.929 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.678 6.722 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.028 7.255 -9.962 1.00 0.00 H new ATOM 808 N LEU A 57 -3.405 3.161 -6.856 1.00 0.00 N ATOM 809 CA LEU A 57 -2.814 2.089 -6.057 1.00 0.00 C ATOM 810 C LEU A 57 -3.612 0.806 -6.203 1.00 0.00 C ATOM 811 O LEU A 57 -3.082 -0.184 -6.653 1.00 0.00 O ATOM 812 CB LEU A 57 -2.791 2.508 -4.578 1.00 0.00 C ATOM 813 CG LEU A 57 -2.109 3.872 -4.433 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.967 4.223 -2.952 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.728 3.845 -5.091 1.00 0.00 C ATOM 0 H LEU A 57 -3.652 4.000 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.799 1.911 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.808 2.557 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.260 1.761 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.721 4.627 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.481 5.194 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.954 4.262 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.364 3.463 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.254 4.820 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.111 3.085 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.834 3.610 -6.150 1.00 0.00 H new ATOM 827 N GLU A 58 -4.864 0.840 -5.811 1.00 0.00 N ATOM 828 CA GLU A 58 -5.715 -0.350 -5.888 1.00 0.00 C ATOM 829 C GLU A 58 -5.803 -0.856 -7.324 1.00 0.00 C ATOM 830 O GLU A 58 -5.866 -2.061 -7.562 1.00 0.00 O ATOM 831 CB GLU A 58 -7.110 -0.024 -5.378 1.00 0.00 C ATOM 832 CG GLU A 58 -7.780 1.013 -6.302 1.00 0.00 C ATOM 833 CD GLU A 58 -8.661 0.314 -7.336 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.314 -0.779 -7.747 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.670 0.883 -7.703 1.00 0.00 O ATOM 0 H GLU A 58 -5.325 1.669 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.273 -1.129 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.713 -0.931 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.053 0.365 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.381 1.703 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.018 1.607 -6.806 1.00 0.00 H new ATOM 842 N ASP A 59 -5.806 0.071 -8.274 1.00 0.00 N ATOM 843 CA ASP A 59 -5.892 -0.299 -9.684 1.00 0.00 C ATOM 844 C ASP A 59 -4.730 -1.204 -10.075 1.00 0.00 C ATOM 845 O ASP A 59 -4.846 -1.996 -11.012 1.00 0.00 O ATOM 846 CB ASP A 59 -5.882 0.963 -10.560 1.00 0.00 C ATOM 847 CG ASP A 59 -7.296 1.534 -10.684 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.153 1.107 -9.927 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.493 2.396 -11.521 1.00 0.00 O ATOM 0 H ASP A 59 -5.751 1.074 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.825 -0.841 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.217 1.710 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.491 0.724 -11.549 1.00 0.00 H new ATOM 854 N HIS A 60 -3.622 -1.071 -9.362 1.00 0.00 N ATOM 855 CA HIS A 60 -2.450 -1.895 -9.647 1.00 0.00 C ATOM 856 C HIS A 60 -2.651 -3.311 -9.117 1.00 0.00 C ATOM 857 O HIS A 60 -2.154 -4.278 -9.697 1.00 0.00 O ATOM 858 CB HIS A 60 -1.197 -1.255 -9.025 1.00 0.00 C ATOM 859 CG HIS A 60 -0.590 -0.284 -9.984 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.102 -0.679 -11.216 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.393 1.070 -9.911 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.365 0.418 -11.835 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.213 1.513 -11.083 1.00 0.00 N ATOM 0 H HIS A 60 -3.506 -0.412 -8.592 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.314 -1.954 -10.727 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.461 -0.746 -8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.472 -2.028 -8.770 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.666 1.696 -9.074 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.809 0.416 -12.820 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.483 2.468 -11.318 1.00 0.00 H new ATOM 872 N LEU A 61 -3.360 -3.427 -7.999 1.00 0.00 N ATOM 873 CA LEU A 61 -3.613 -4.734 -7.387 1.00 0.00 C ATOM 874 C LEU A 61 -5.006 -5.200 -7.717 1.00 0.00 C ATOM 875 O LEU A 61 -5.505 -6.141 -7.113 1.00 0.00 O ATOM 876 CB LEU A 61 -3.432 -4.656 -5.865 1.00 0.00 C ATOM 877 CG LEU A 61 -2.072 -4.032 -5.529 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.972 -4.703 -6.363 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.111 -2.530 -5.836 1.00 0.00 C ATOM 0 H LEU A 61 -3.769 -2.639 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.896 -5.450 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.233 -4.061 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.501 -5.653 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.857 -4.181 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.008 -4.256 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.944 -5.769 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.181 -4.561 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.145 -2.085 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.329 -2.380 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.887 -2.056 -5.235 1.00 0.00 H new ATOM 891 N ASP A 62 -5.630 -4.561 -8.709 1.00 0.00 N ATOM 892 CA ASP A 62 -6.968 -4.951 -9.130 1.00 0.00 C ATOM 893 C ASP A 62 -7.861 -5.242 -7.935 1.00 0.00 C ATOM 894 O ASP A 62 -8.300 -6.376 -7.744 1.00 0.00 O ATOM 895 CB ASP A 62 -6.897 -6.182 -10.018 1.00 0.00 C ATOM 896 CG ASP A 62 -6.300 -5.815 -11.383 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.261 -4.635 -11.692 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.884 -6.717 -12.093 1.00 0.00 O ATOM 0 H ASP A 62 -5.231 -3.779 -9.229 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.397 -4.118 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.288 -6.949 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.894 -6.603 -10.150 1.00 0.00 H new ATOM 903 N VAL A 63 -8.114 -4.222 -7.129 1.00 0.00 N ATOM 904 CA VAL A 63 -8.945 -4.382 -5.943 1.00 0.00 C ATOM 905 C VAL A 63 -9.701 -3.102 -5.638 1.00 0.00 C ATOM 906 O VAL A 63 -9.307 -2.032 -6.049 1.00 0.00 O ATOM 907 CB VAL A 63 -8.073 -4.748 -4.734 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.747 -6.236 -4.768 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.770 -3.947 -4.780 1.00 0.00 C ATOM 0 H VAL A 63 -7.758 -3.277 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.661 -5.181 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.615 -4.514 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.128 -6.493 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.672 -6.812 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.208 -6.469 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.152 -4.208 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.232 -4.180 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.997 -2.881 -4.753 1.00 0.00 H new ATOM 919 N SER A 64 -10.810 -3.222 -4.922 1.00 0.00 N ATOM 920 CA SER A 64 -11.618 -2.055 -4.562 1.00 0.00 C ATOM 921 C SER A 64 -11.581 -1.853 -3.055 1.00 0.00 C ATOM 922 O SER A 64 -11.717 -2.803 -2.284 1.00 0.00 O ATOM 923 CB SER A 64 -13.062 -2.243 -5.013 1.00 0.00 C ATOM 924 OG SER A 64 -13.093 -2.404 -6.422 1.00 0.00 O ATOM 0 H SER A 64 -11.174 -4.111 -4.578 1.00 0.00 H new ATOM 0 HA SER A 64 -11.205 -1.179 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.497 -3.115 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.662 -1.382 -4.720 1.00 0.00 H new ATOM 0 HG SER A 64 -14.019 -2.527 -6.717 1.00 0.00 H new ATOM 930 N LEU A 65 -11.384 -0.607 -2.634 1.00 0.00 N ATOM 931 CA LEU A 65 -11.318 -0.285 -1.201 1.00 0.00 C ATOM 932 C LEU A 65 -12.544 0.510 -0.787 1.00 0.00 C ATOM 933 O LEU A 65 -13.224 1.110 -1.624 1.00 0.00 O ATOM 934 CB LEU A 65 -10.048 0.529 -0.893 1.00 0.00 C ATOM 935 CG LEU A 65 -8.993 0.251 -1.971 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.348 1.043 -3.257 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.616 0.687 -1.464 1.00 0.00 C ATOM 0 H LEU A 65 -11.267 0.194 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.287 -1.218 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.283 1.593 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.660 0.261 0.090 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.974 -0.816 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.599 0.846 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.328 0.730 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.367 2.110 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.867 0.489 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.632 1.753 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.367 0.129 -0.561 1.00 0.00 H new ATOM 949 N ASP A 66 -12.821 0.518 0.514 1.00 0.00 N ATOM 950 CA ASP A 66 -13.964 1.249 1.029 1.00 0.00 C ATOM 951 C ASP A 66 -13.545 2.622 1.558 1.00 0.00 C ATOM 952 O ASP A 66 -12.408 2.815 1.974 1.00 0.00 O ATOM 953 CB ASP A 66 -14.647 0.437 2.150 1.00 0.00 C ATOM 954 CG ASP A 66 -16.021 -0.051 1.698 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.082 -0.701 0.668 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.990 0.259 2.370 1.00 0.00 O ATOM 0 H ASP A 66 -12.272 0.030 1.222 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.669 1.400 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.023 -0.415 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.750 1.054 3.043 1.00 0.00 H new ATOM 961 N PRO A 67 -14.449 3.559 1.574 1.00 0.00 N ATOM 962 CA PRO A 67 -14.168 4.930 2.080 1.00 0.00 C ATOM 963 C PRO A 67 -13.544 4.929 3.478 1.00 0.00 C ATOM 964 O PRO A 67 -12.365 5.227 3.639 1.00 0.00 O ATOM 965 CB PRO A 67 -15.555 5.605 2.097 1.00 0.00 C ATOM 966 CG PRO A 67 -16.382 4.839 1.119 1.00 0.00 C ATOM 967 CD PRO A 67 -15.843 3.418 1.116 1.00 0.00 C ATOM 0 HA PRO A 67 -13.440 5.448 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.995 5.573 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.484 6.655 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.434 4.854 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.315 5.281 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.417 2.773 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.893 2.975 0.121 1.00 0.00 H new ATOM 975 N THR A 68 -14.354 4.605 4.478 1.00 0.00 N ATOM 976 CA THR A 68 -13.882 4.583 5.855 1.00 0.00 C ATOM 977 C THR A 68 -12.801 3.523 6.031 1.00 0.00 C ATOM 978 O THR A 68 -12.083 3.520 7.030 1.00 0.00 O ATOM 979 CB THR A 68 -15.047 4.287 6.802 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.569 4.255 8.140 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.671 2.936 6.448 1.00 0.00 C ATOM 0 H THR A 68 -15.336 4.355 4.362 1.00 0.00 H new ATOM 0 HA THR A 68 -13.461 5.560 6.092 1.00 0.00 H new ATOM 0 HB THR A 68 -15.802 5.067 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.622 4.003 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.500 2.730 7.125 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.038 2.962 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.920 2.152 6.544 1.00 0.00 H new ATOM 989 N LEU A 69 -12.694 2.630 5.055 1.00 0.00 N ATOM 990 CA LEU A 69 -11.694 1.575 5.109 1.00 0.00 C ATOM 991 C LEU A 69 -10.302 2.131 4.806 1.00 0.00 C ATOM 992 O LEU A 69 -9.318 1.756 5.436 1.00 0.00 O ATOM 993 CB LEU A 69 -12.049 0.475 4.111 1.00 0.00 C ATOM 994 CG LEU A 69 -11.071 -0.700 4.267 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.685 -1.958 3.662 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.735 -0.377 3.556 1.00 0.00 C ATOM 0 H LEU A 69 -13.284 2.616 4.223 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.683 1.158 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.071 0.135 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.005 0.865 3.094 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.877 -0.864 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.991 -2.791 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.617 -2.191 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.886 -1.792 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.049 -1.216 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.920 -0.204 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.294 0.516 3.998 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.228 3.045 3.845 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.954 3.646 3.471 1.00 0.00 C ATOM 1010 C ILE A 70 -8.346 4.373 4.664 1.00 0.00 C ATOM 1011 O ILE A 70 -7.140 4.300 4.898 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.160 4.619 2.305 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.508 3.831 1.038 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.877 5.415 2.072 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.079 4.784 -0.014 1.00 0.00 C ATOM 0 H ILE A 70 -11.030 3.384 3.314 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.268 2.859 3.157 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.974 5.304 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.619 3.334 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.233 3.051 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.024 6.107 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.628 5.976 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.063 4.731 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.327 4.224 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.979 5.260 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.339 5.548 -0.253 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.190 5.069 5.410 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.733 5.803 6.586 1.00 0.00 C ATOM 1029 C TRP A 71 -8.516 4.844 7.749 1.00 0.00 C ATOM 1030 O TRP A 71 -8.101 5.245 8.838 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.749 6.874 6.980 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.775 7.943 5.942 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.847 8.262 5.184 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.695 8.828 5.521 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.501 9.297 4.332 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.183 9.679 4.500 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.355 8.981 5.924 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.371 10.642 3.901 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.539 9.946 5.321 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.043 10.775 4.313 1.00 0.00 C ATOM 0 H TRP A 71 -10.191 5.143 5.226 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.789 6.291 6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.739 6.430 7.084 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.487 7.300 7.949 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.816 7.787 5.234 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.140 9.725 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.954 8.350 6.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.766 11.280 3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.512 10.051 5.637 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.406 11.517 3.854 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.805 3.561 7.517 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.634 2.540 8.559 1.00 0.00 C ATOM 1053 C ASP A 72 -7.268 1.885 8.444 1.00 0.00 C ATOM 1054 O ASP A 72 -6.667 1.492 9.444 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.719 1.475 8.432 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.677 0.552 9.643 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.752 0.678 10.430 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.573 -0.266 9.765 1.00 0.00 O ATOM 0 H ASP A 72 -9.155 3.205 6.628 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.714 3.026 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.698 1.947 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.572 0.899 7.518 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.760 1.785 7.210 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.440 1.191 6.971 1.00 0.00 C ATOM 1065 C HIS A 73 -4.526 2.188 6.267 1.00 0.00 C ATOM 1066 O HIS A 73 -3.933 1.883 5.236 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.587 -0.065 6.116 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.654 -0.946 6.702 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -6.963 -0.938 8.053 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.496 -1.867 6.131 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -7.952 -1.829 8.247 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.315 -2.424 7.108 1.00 0.00 N ATOM 0 H HIS A 73 -7.239 2.105 6.368 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.997 0.927 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.846 0.207 5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.639 -0.602 6.073 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.521 -0.362 8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.519 -2.121 5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.399 -2.038 9.208 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.393 3.371 6.814 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.528 4.435 6.232 1.00 0.00 C ATOM 1083 C PRO A 74 -2.047 4.115 6.380 1.00 0.00 C ATOM 1084 O PRO A 74 -1.192 4.913 5.993 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.894 5.682 7.046 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.379 5.160 8.360 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.056 3.824 8.045 1.00 0.00 C ATOM 0 HA PRO A 74 -3.689 4.552 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.031 6.336 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.665 6.267 6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.553 5.026 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.079 5.855 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.923 3.108 8.856 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.129 3.945 7.899 1.00 0.00 H new ATOM 1095 N THR A 75 -1.748 2.952 6.942 1.00 0.00 N ATOM 1096 CA THR A 75 -0.357 2.534 7.141 1.00 0.00 C ATOM 1097 C THR A 75 -0.046 1.283 6.323 1.00 0.00 C ATOM 1098 O THR A 75 -0.941 0.511 5.988 1.00 0.00 O ATOM 1099 CB THR A 75 -0.111 2.253 8.623 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.142 1.416 9.125 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.095 3.572 9.402 1.00 0.00 C ATOM 0 H THR A 75 -2.443 2.280 7.269 1.00 0.00 H new ATOM 0 HA THR A 75 0.298 3.339 6.807 1.00 0.00 H new ATOM 0 HB THR A 75 0.851 1.754 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.983 1.235 10.075 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.081 3.369 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.700 4.211 9.019 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.054 4.076 9.284 1.00 0.00 H new ATOM 1109 N ILE A 76 1.229 1.101 6.006 1.00 0.00 N ATOM 1110 CA ILE A 76 1.647 -0.051 5.228 1.00 0.00 C ATOM 1111 C ILE A 76 1.358 -1.336 5.995 1.00 0.00 C ATOM 1112 O ILE A 76 0.915 -2.325 5.420 1.00 0.00 O ATOM 1113 CB ILE A 76 3.144 0.037 4.916 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.395 1.233 3.979 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.614 -1.254 4.229 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.839 1.194 3.457 1.00 0.00 C ATOM 0 H ILE A 76 1.984 1.732 6.274 1.00 0.00 H new ATOM 0 HA ILE A 76 1.087 -0.060 4.293 1.00 0.00 H new ATOM 0 HB ILE A 76 3.698 0.169 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.696 1.204 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.217 2.167 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.680 -1.183 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.435 -2.103 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.062 -1.393 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.010 2.043 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.531 1.245 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.002 0.267 2.908 1.00 0.00 H new ATOM 1128 N ASP A 77 1.645 -1.326 7.287 1.00 0.00 N ATOM 1129 CA ASP A 77 1.432 -2.507 8.116 1.00 0.00 C ATOM 1130 C ASP A 77 0.003 -3.015 7.956 1.00 0.00 C ATOM 1131 O ASP A 77 -0.226 -4.210 7.747 1.00 0.00 O ATOM 1132 CB ASP A 77 1.685 -2.162 9.585 1.00 0.00 C ATOM 1133 CG ASP A 77 1.402 -3.378 10.462 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.265 -4.459 9.916 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.329 -3.209 11.670 1.00 0.00 O ATOM 0 H ASP A 77 2.024 -0.520 7.784 1.00 0.00 H new ATOM 0 HA ASP A 77 2.126 -3.285 7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.717 -1.839 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.049 -1.330 9.887 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.961 -2.099 8.047 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.361 -2.471 7.906 1.00 0.00 C ATOM 1142 C ALA A 78 -2.685 -2.830 6.460 1.00 0.00 C ATOM 1143 O ALA A 78 -3.316 -3.854 6.189 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.253 -1.311 8.359 1.00 0.00 C ATOM 0 H ALA A 78 -0.797 -1.106 8.216 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.549 -3.344 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.300 -1.594 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.045 -1.079 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.049 -0.434 7.745 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.260 -1.977 5.537 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.530 -2.214 4.135 1.00 0.00 C ATOM 1152 C LEU A 79 -1.898 -3.530 3.686 1.00 0.00 C ATOM 1153 O LEU A 79 -2.531 -4.331 2.996 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.959 -1.050 3.290 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.877 -0.777 2.093 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.148 -2.084 1.322 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.221 -0.194 2.603 1.00 0.00 C ATOM 0 H LEU A 79 -1.734 -1.126 5.735 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.609 -2.274 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.870 -0.153 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.957 -1.299 2.942 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.391 -0.065 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.801 -1.878 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.205 -2.496 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.629 -2.804 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.878 0.002 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.697 -0.910 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.034 0.736 3.140 1.00 0.00 H new ATOM 1169 N SER A 80 -0.644 -3.737 4.067 1.00 0.00 N ATOM 1170 CA SER A 80 0.065 -4.954 3.691 1.00 0.00 C ATOM 1171 C SER A 80 -0.666 -6.174 4.233 1.00 0.00 C ATOM 1172 O SER A 80 -0.916 -7.124 3.500 1.00 0.00 O ATOM 1173 CB SER A 80 1.487 -4.919 4.250 1.00 0.00 C ATOM 1174 OG SER A 80 1.429 -4.789 5.666 1.00 0.00 O ATOM 0 H SER A 80 -0.100 -3.084 4.631 1.00 0.00 H new ATOM 0 HA SER A 80 0.105 -5.016 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.020 -5.830 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.040 -4.085 3.818 1.00 0.00 H new ATOM 0 HG SER A 80 1.453 -3.840 5.909 1.00 0.00 H new ATOM 1180 N THR A 81 -1.023 -6.128 5.517 1.00 0.00 N ATOM 1181 CA THR A 81 -1.732 -7.237 6.143 1.00 0.00 C ATOM 1182 C THR A 81 -3.027 -7.529 5.383 1.00 0.00 C ATOM 1183 O THR A 81 -3.397 -8.689 5.159 1.00 0.00 O ATOM 1184 CB THR A 81 -2.056 -6.893 7.597 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.845 -6.695 8.315 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.846 -8.039 8.231 1.00 0.00 C ATOM 0 H THR A 81 -0.833 -5.340 6.137 1.00 0.00 H new ATOM 0 HA THR A 81 -1.096 -8.121 6.116 1.00 0.00 H new ATOM 0 HB THR A 81 -2.653 -5.982 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.706 -5.736 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.076 -7.792 9.267 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.774 -8.190 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.252 -8.952 8.199 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.722 -6.472 4.988 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.968 -6.632 4.251 1.00 0.00 C ATOM 1196 C ALA A 82 -4.695 -7.146 2.845 1.00 0.00 C ATOM 1197 O ALA A 82 -5.426 -7.999 2.309 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.697 -5.288 4.161 1.00 0.00 C ATOM 0 H ALA A 82 -3.449 -5.505 5.163 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.589 -7.354 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.628 -5.415 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.918 -4.926 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.065 -4.565 3.645 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.628 -6.634 2.214 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.296 -7.047 0.866 1.00 0.00 C ATOM 1206 C LEU A 83 -2.975 -8.538 0.809 1.00 0.00 C ATOM 1207 O LEU A 83 -3.529 -9.267 -0.008 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.071 -6.236 0.372 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.188 -5.996 -1.135 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.922 -5.301 -1.640 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.365 -7.338 -1.857 1.00 0.00 C ATOM 0 H LEU A 83 -2.996 -5.944 2.619 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.157 -6.859 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.016 -5.283 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.151 -6.776 0.594 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.052 -5.363 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.004 -5.130 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.802 -4.346 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.056 -5.931 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.448 -7.166 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.503 -7.975 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.270 -7.828 -1.497 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.079 -8.977 1.687 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.700 -10.382 1.734 1.00 0.00 C ATOM 1225 C VAL A 84 -2.915 -11.232 2.092 1.00 0.00 C ATOM 1226 O VAL A 84 -3.026 -12.384 1.670 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.590 -10.596 2.767 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.108 -10.232 4.155 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.153 -12.062 2.756 1.00 0.00 C ATOM 0 H VAL A 84 -1.606 -8.385 2.370 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.329 -10.682 0.754 1.00 0.00 H new ATOM 0 HB VAL A 84 0.261 -9.962 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.318 -10.385 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.417 -9.187 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.961 -10.864 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.637 -12.212 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.004 -12.697 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.220 -12.323 1.766 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.822 -10.658 2.882 1.00 0.00 N ATOM 1240 CA ALA A 85 -5.022 -11.375 3.287 1.00 0.00 C ATOM 1241 C ALA A 85 -5.844 -11.769 2.068 1.00 0.00 C ATOM 1242 O ALA A 85 -6.493 -12.809 2.040 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.864 -10.505 4.221 1.00 0.00 C ATOM 0 H ALA A 85 -3.747 -9.709 3.249 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.722 -12.280 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.759 -11.051 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.282 -10.253 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.152 -9.589 3.704 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.810 -10.926 1.050 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.551 -11.203 -0.180 1.00 0.00 C ATOM 1251 C GLU A 86 -6.128 -12.544 -0.773 1.00 0.00 C ATOM 1252 O GLU A 86 -6.826 -13.120 -1.607 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.288 -10.101 -1.209 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.760 -8.760 -0.653 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.271 -8.784 -0.445 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.971 -9.127 -1.381 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.703 -8.467 0.651 1.00 0.00 O ATOM 0 H GLU A 86 -5.285 -10.052 1.045 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.613 -11.237 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.225 -10.055 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.811 -10.325 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.258 -8.552 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.492 -7.957 -1.340 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.962 -13.031 -0.355 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.436 -14.300 -0.858 1.00 0.00 C ATOM 1266 C LEU A 87 -4.553 -15.406 0.182 1.00 0.00 C ATOM 1267 O LEU A 87 -4.485 -16.590 -0.155 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.967 -14.120 -1.242 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.866 -13.279 -2.523 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -1.437 -12.748 -2.680 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -3.218 -14.148 -3.745 1.00 0.00 C ATOM 0 H LEU A 87 -4.364 -12.568 0.329 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.024 -14.590 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.426 -13.632 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.500 -15.093 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.563 -12.443 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.368 -12.152 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.182 -12.129 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.742 -13.586 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.145 -13.547 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.524 -14.986 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.235 -14.527 -3.641 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.723 -15.017 1.433 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.835 -15.993 2.505 1.00 0.00 C ATOM 1285 C ARG A 88 -6.125 -16.796 2.368 1.00 0.00 C ATOM 1286 O ARG A 88 -7.010 -16.447 1.590 1.00 0.00 O ATOM 1287 CB ARG A 88 -4.785 -15.272 3.873 1.00 0.00 C ATOM 1288 CG ARG A 88 -6.204 -14.972 4.376 1.00 0.00 C ATOM 1289 CD ARG A 88 -6.147 -14.207 5.681 1.00 0.00 C ATOM 1290 NE ARG A 88 -7.492 -14.040 6.214 1.00 0.00 N ATOM 1291 CZ ARG A 88 -7.692 -13.427 7.373 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -6.677 -12.967 8.052 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -8.904 -13.286 7.836 1.00 0.00 N ATOM 0 H ARG A 88 -4.786 -14.044 1.731 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.998 -16.688 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.259 -15.893 4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.222 -14.343 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.747 -14.392 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.752 -15.904 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.525 -14.741 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.685 -13.232 5.522 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.290 -14.399 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.729 -13.079 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.831 -12.496 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.697 -13.647 7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.058 -12.815 8.727 1.00 0.00 H new ATOM 1307 N SER A 89 -6.247 -17.825 3.192 1.00 0.00 N ATOM 1308 CA SER A 89 -7.455 -18.647 3.203 1.00 0.00 C ATOM 1309 C SER A 89 -7.587 -19.420 4.514 1.00 0.00 C ATOM 1310 O SER A 89 -6.612 -19.596 5.241 1.00 0.00 O ATOM 1311 CB SER A 89 -7.400 -19.624 2.033 1.00 0.00 C ATOM 1312 OG SER A 89 -6.176 -20.345 2.084 1.00 0.00 O ATOM 0 H SER A 89 -5.531 -18.113 3.859 1.00 0.00 H new ATOM 0 HA SER A 89 -8.323 -17.994 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.244 -20.313 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.479 -19.085 1.089 1.00 0.00 H new ATOM 0 HG SER A 89 -6.136 -20.976 1.335 1.00 0.00 H new ATOM 1318 N ALA A 90 -8.798 -19.886 4.799 1.00 0.00 N ATOM 1319 CA ALA A 90 -9.045 -20.645 6.020 1.00 0.00 C ATOM 1320 C ALA A 90 -10.324 -21.465 5.892 1.00 0.00 C ATOM 1321 O ALA A 90 -11.319 -20.910 5.457 1.00 0.00 O ATOM 1322 CB ALA A 90 -9.162 -19.696 7.213 1.00 0.00 C ATOM 1323 OXT ALA A 90 -10.290 -22.637 6.231 1.00 0.00 O ATOM 0 H ALA A 90 -9.618 -19.753 4.207 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.206 -21.323 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.346 -20.272 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.235 -19.134 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.988 -19.005 7.048 1.00 0.00 H new TER 1329 ALA A 90