USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.84 K(o=-0.84,f=-3.3!) USER MOD Single : A -1 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=-0.25) USER MOD Single : A -2 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.41) USER MOD Single : A -3 HIS : no HD1:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A -4 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.6) USER MOD Single : A -5 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.25) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 162:sc=-0.00634 (180deg=-0.148) USER MOD Single : A 13 CYS SG : rot 179:sc= -0.455 USER MOD Single : A 14 GLN : amide:sc= -0.984 K(o=-0.98,f=-2) USER MOD Single : A 16 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.1!) USER MOD Single : A 17 THR OG1 : rot -42:sc= -1.05 USER MOD Single : A 20 TYR OH : rot 43:sc= 0.0575 USER MOD Single : A 24 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=-0.22) USER MOD Single : A 26 SER OG : rot 4:sc= 0.294 USER MOD Single : A 29 SER OG : rot 41:sc= 0.456 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -60:sc= -0.24 USER MOD Single : A 39 CYS SG : rot 101:sc= -1.27 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.92! C(o=-3.9!,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 1:sc= -0.55 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.49) USER MOD Single : A 103 HIS : no HE2:sc= -5.03! C(o=-5!,f=-5.7!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 11.847 13.961 -20.809 1.00 0.00 N ATOM 2 CA MET A -8 10.693 13.028 -20.903 1.00 0.00 C ATOM 3 C MET A -8 11.161 11.583 -21.039 1.00 0.00 C ATOM 4 O MET A -8 11.961 11.259 -21.918 1.00 0.00 O ATOM 5 CB MET A -8 9.840 13.427 -22.112 1.00 0.00 C ATOM 6 CG MET A -8 10.535 13.214 -23.450 1.00 0.00 C ATOM 7 SD MET A -8 10.418 14.649 -24.534 1.00 0.00 S ATOM 8 CE MET A -8 11.860 15.579 -24.023 1.00 0.00 C ATOM 0 H1 MET A -8 11.530 14.928 -21.022 1.00 0.00 H new ATOM 0 H2 MET A -8 12.241 13.930 -19.847 1.00 0.00 H new ATOM 0 H3 MET A -8 12.579 13.678 -21.492 1.00 0.00 H new ATOM 0 HA MET A -8 10.103 13.095 -19.989 1.00 0.00 H new ATOM 0 HB2 MET A -8 8.914 12.851 -22.098 1.00 0.00 H new ATOM 0 HB3 MET A -8 9.564 14.477 -22.020 1.00 0.00 H new ATOM 0 HG2 MET A -8 11.585 12.981 -23.276 1.00 0.00 H new ATOM 0 HG3 MET A -8 10.095 12.350 -23.949 1.00 0.00 H new ATOM 0 HE1 MET A -8 11.925 16.498 -24.605 1.00 0.00 H new ATOM 0 HE2 MET A -8 11.778 15.825 -22.964 1.00 0.00 H new ATOM 0 HE3 MET A -8 12.756 14.981 -24.188 1.00 0.00 H new ATOM 20 N GLY A -7 10.660 10.719 -20.165 1.00 0.00 N ATOM 21 CA GLY A -7 11.038 9.319 -20.203 1.00 0.00 C ATOM 22 C GLY A -7 11.149 8.708 -18.821 1.00 0.00 C ATOM 23 O GLY A -7 12.224 8.711 -18.219 1.00 0.00 O ATOM 0 H GLY A -7 9.997 10.963 -19.429 1.00 0.00 H new ATOM 0 HA2 GLY A -7 10.302 8.763 -20.784 1.00 0.00 H new ATOM 0 HA3 GLY A -7 11.993 9.218 -20.719 1.00 0.00 H new ATOM 27 N HIS A -6 10.037 8.185 -18.315 1.00 0.00 N ATOM 28 CA HIS A -6 10.015 7.568 -16.993 1.00 0.00 C ATOM 29 C HIS A -6 9.655 6.089 -17.089 1.00 0.00 C ATOM 30 O HIS A -6 8.493 5.712 -16.936 1.00 0.00 O ATOM 31 CB HIS A -6 9.017 8.291 -16.087 1.00 0.00 C ATOM 32 CG HIS A -6 9.385 9.714 -15.806 1.00 0.00 C ATOM 33 ND1 HIS A -6 8.452 10.712 -15.618 1.00 0.00 N ATOM 34 CD2 HIS A -6 10.597 10.307 -15.680 1.00 0.00 C ATOM 35 CE1 HIS A -6 9.072 11.856 -15.389 1.00 0.00 C ATOM 36 NE2 HIS A -6 10.375 11.637 -15.421 1.00 0.00 N ATOM 0 H HIS A -6 9.140 8.176 -18.800 1.00 0.00 H new ATOM 0 HA HIS A -6 11.013 7.653 -16.563 1.00 0.00 H new ATOM 0 HB2 HIS A -6 8.031 8.264 -16.552 1.00 0.00 H new ATOM 0 HB3 HIS A -6 8.939 7.751 -15.143 1.00 0.00 H new ATOM 0 HD2 HIS A -6 11.559 9.823 -15.767 1.00 0.00 H new ATOM 0 HE1 HIS A -6 8.595 12.808 -15.207 1.00 0.00 H new ATOM 0 HE2 HIS A -6 11.098 12.342 -15.277 1.00 0.00 H new ATOM 45 N HIS A -5 10.658 5.258 -17.345 1.00 0.00 N ATOM 46 CA HIS A -5 10.450 3.819 -17.462 1.00 0.00 C ATOM 47 C HIS A -5 11.342 3.059 -16.485 1.00 0.00 C ATOM 48 O HIS A -5 12.558 2.992 -16.665 1.00 0.00 O ATOM 49 CB HIS A -5 10.730 3.359 -18.896 1.00 0.00 C ATOM 50 CG HIS A -5 9.575 2.651 -19.536 1.00 0.00 C ATOM 51 ND1 HIS A -5 9.681 1.962 -20.725 1.00 0.00 N ATOM 52 CD2 HIS A -5 8.284 2.528 -19.147 1.00 0.00 C ATOM 53 CE1 HIS A -5 8.506 1.447 -21.041 1.00 0.00 C ATOM 54 NE2 HIS A -5 7.641 1.775 -20.098 1.00 0.00 N ATOM 0 H HIS A -5 11.625 5.556 -17.476 1.00 0.00 H new ATOM 0 HA HIS A -5 9.410 3.604 -17.216 1.00 0.00 H new ATOM 0 HB2 HIS A -5 10.994 4.226 -19.501 1.00 0.00 H new ATOM 0 HB3 HIS A -5 11.595 2.696 -18.893 1.00 0.00 H new ATOM 0 HD2 HIS A -5 7.842 2.945 -18.254 1.00 0.00 H new ATOM 0 HE1 HIS A -5 8.290 0.858 -21.920 1.00 0.00 H new ATOM 0 HE2 HIS A -5 6.656 1.512 -20.079 1.00 0.00 H new ATOM 63 N HIS A -4 10.731 2.491 -15.452 1.00 0.00 N ATOM 64 CA HIS A -4 11.472 1.738 -14.447 1.00 0.00 C ATOM 65 C HIS A -4 10.621 0.609 -13.873 1.00 0.00 C ATOM 66 O HIS A -4 9.998 0.762 -12.821 1.00 0.00 O ATOM 67 CB HIS A -4 11.936 2.666 -13.322 1.00 0.00 C ATOM 68 CG HIS A -4 13.283 3.270 -13.562 1.00 0.00 C ATOM 69 ND1 HIS A -4 14.309 2.597 -14.192 1.00 0.00 N ATOM 70 CD2 HIS A -4 13.773 4.494 -13.254 1.00 0.00 C ATOM 71 CE1 HIS A -4 15.371 3.380 -14.261 1.00 0.00 C ATOM 72 NE2 HIS A -4 15.073 4.536 -13.698 1.00 0.00 N ATOM 0 H HIS A -4 9.725 2.537 -15.288 1.00 0.00 H new ATOM 0 HA HIS A -4 12.345 1.300 -14.930 1.00 0.00 H new ATOM 0 HB2 HIS A -4 11.206 3.465 -13.197 1.00 0.00 H new ATOM 0 HB3 HIS A -4 11.959 2.106 -12.387 1.00 0.00 H new ATOM 0 HD2 HIS A -4 13.241 5.289 -12.753 1.00 0.00 H new ATOM 0 HE1 HIS A -4 16.321 3.119 -14.703 1.00 0.00 H new ATOM 0 HE2 HIS A -4 15.705 5.331 -13.607 1.00 0.00 H new ATOM 81 N HIS A -3 10.602 -0.523 -14.568 1.00 0.00 N ATOM 82 CA HIS A -3 9.830 -1.678 -14.124 1.00 0.00 C ATOM 83 C HIS A -3 10.746 -2.745 -13.530 1.00 0.00 C ATOM 84 O HIS A -3 10.941 -3.810 -14.118 1.00 0.00 O ATOM 85 CB HIS A -3 9.027 -2.259 -15.291 1.00 0.00 C ATOM 86 CG HIS A -3 7.570 -1.918 -15.241 1.00 0.00 C ATOM 87 ND1 HIS A -3 6.928 -1.206 -16.233 1.00 0.00 N ATOM 88 CD2 HIS A -3 6.625 -2.199 -14.311 1.00 0.00 C ATOM 89 CE1 HIS A -3 5.655 -1.061 -15.915 1.00 0.00 C ATOM 90 NE2 HIS A -3 5.445 -1.654 -14.755 1.00 0.00 N ATOM 0 H HIS A -3 11.112 -0.666 -15.440 1.00 0.00 H new ATOM 0 HA HIS A -3 9.138 -1.350 -13.349 1.00 0.00 H new ATOM 0 HB2 HIS A -3 9.446 -1.893 -16.228 1.00 0.00 H new ATOM 0 HB3 HIS A -3 9.138 -3.343 -15.294 1.00 0.00 H new ATOM 0 HD2 HIS A -3 6.772 -2.748 -13.393 1.00 0.00 H new ATOM 0 HE1 HIS A -3 4.912 -0.545 -16.504 1.00 0.00 H new ATOM 0 HE2 HIS A -3 4.551 -1.700 -14.267 1.00 0.00 H new ATOM 99 N HIS A -2 11.306 -2.449 -12.362 1.00 0.00 N ATOM 100 CA HIS A -2 12.203 -3.379 -11.687 1.00 0.00 C ATOM 101 C HIS A -2 12.131 -3.200 -10.174 1.00 0.00 C ATOM 102 O HIS A -2 12.298 -2.093 -9.662 1.00 0.00 O ATOM 103 CB HIS A -2 13.640 -3.175 -12.170 1.00 0.00 C ATOM 104 CG HIS A -2 14.486 -4.408 -12.075 1.00 0.00 C ATOM 105 ND1 HIS A -2 14.022 -5.603 -11.569 1.00 0.00 N ATOM 106 CD2 HIS A -2 15.776 -4.625 -12.427 1.00 0.00 C ATOM 107 CE1 HIS A -2 14.989 -6.503 -11.612 1.00 0.00 C ATOM 108 NE2 HIS A -2 16.064 -5.935 -12.129 1.00 0.00 N ATOM 0 H HIS A -2 11.154 -1.572 -11.863 1.00 0.00 H new ATOM 0 HA HIS A -2 11.887 -4.393 -11.930 1.00 0.00 H new ATOM 0 HB2 HIS A -2 13.622 -2.836 -13.206 1.00 0.00 H new ATOM 0 HB3 HIS A -2 14.102 -2.381 -11.583 1.00 0.00 H new ATOM 0 HD2 HIS A -2 16.452 -3.903 -12.861 1.00 0.00 H new ATOM 0 HE1 HIS A -2 14.913 -7.528 -11.281 1.00 0.00 H new ATOM 0 HE2 HIS A -2 16.962 -6.394 -12.282 1.00 0.00 H new ATOM 117 N HIS A -1 11.882 -4.295 -9.462 1.00 0.00 N ATOM 118 CA HIS A -1 11.788 -4.258 -8.008 1.00 0.00 C ATOM 119 C HIS A -1 10.620 -3.385 -7.561 1.00 0.00 C ATOM 120 O HIS A -1 10.748 -2.165 -7.457 1.00 0.00 O ATOM 121 CB HIS A -1 13.092 -3.735 -7.402 1.00 0.00 C ATOM 122 CG HIS A -1 13.405 -4.319 -6.061 1.00 0.00 C ATOM 123 ND1 HIS A -1 13.428 -5.676 -5.815 1.00 0.00 N ATOM 124 CD2 HIS A -1 13.711 -3.721 -4.884 1.00 0.00 C ATOM 125 CE1 HIS A -1 13.733 -5.887 -4.547 1.00 0.00 C ATOM 126 NE2 HIS A -1 13.910 -4.718 -3.961 1.00 0.00 N ATOM 0 H HIS A -1 11.742 -5.219 -9.870 1.00 0.00 H new ATOM 0 HA HIS A -1 11.615 -5.275 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A -1 13.913 -3.953 -8.085 1.00 0.00 H new ATOM 0 HB3 HIS A -1 13.032 -2.650 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A -1 13.785 -2.658 -4.705 1.00 0.00 H new ATOM 0 HE1 HIS A -1 13.822 -6.852 -4.071 1.00 0.00 H new ATOM 0 HE2 HIS A -1 14.155 -4.578 -2.981 1.00 0.00 H new ATOM 135 N MET A 0 9.481 -4.018 -7.297 1.00 0.00 N ATOM 136 CA MET A 0 8.289 -3.299 -6.861 1.00 0.00 C ATOM 137 C MET A 0 7.673 -3.961 -5.633 1.00 0.00 C ATOM 138 O MET A 0 7.113 -5.055 -5.720 1.00 0.00 O ATOM 139 CB MET A 0 7.261 -3.240 -7.992 1.00 0.00 C ATOM 140 CG MET A 0 6.476 -1.939 -8.036 1.00 0.00 C ATOM 141 SD MET A 0 4.966 -2.072 -9.010 1.00 0.00 S ATOM 142 CE MET A 0 5.595 -1.750 -10.657 1.00 0.00 C ATOM 0 H MET A 0 9.358 -5.027 -7.377 1.00 0.00 H new ATOM 0 HA MET A 0 8.585 -2.284 -6.595 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.773 -3.378 -8.944 1.00 0.00 H new ATOM 0 HB3 MET A 0 6.564 -4.071 -7.882 1.00 0.00 H new ATOM 0 HG2 MET A 0 6.223 -1.637 -7.020 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.105 -1.153 -8.454 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.776 -1.797 -11.375 1.00 0.00 H new ATOM 0 HE2 MET A 0 6.047 -0.758 -10.687 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.345 -2.498 -10.913 1.00 0.00 H new ATOM 152 N GLY A 1 7.780 -3.292 -4.488 1.00 0.00 N ATOM 153 CA GLY A 1 7.228 -3.833 -3.261 1.00 0.00 C ATOM 154 C GLY A 1 6.378 -2.824 -2.514 1.00 0.00 C ATOM 155 O GLY A 1 5.162 -2.988 -2.403 1.00 0.00 O ATOM 0 H GLY A 1 8.239 -2.386 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.625 -4.711 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.041 -4.167 -2.616 1.00 0.00 H new ATOM 159 N SER A 2 7.017 -1.780 -1.999 1.00 0.00 N ATOM 160 CA SER A 2 6.312 -0.741 -1.257 1.00 0.00 C ATOM 161 C SER A 2 5.283 -0.043 -2.140 1.00 0.00 C ATOM 162 O SER A 2 4.090 -0.040 -1.838 1.00 0.00 O ATOM 163 CB SER A 2 7.304 0.283 -0.705 1.00 0.00 C ATOM 164 OG SER A 2 7.914 -0.186 0.485 1.00 0.00 O ATOM 0 H SER A 2 8.023 -1.630 -2.082 1.00 0.00 H new ATOM 0 HA SER A 2 5.789 -1.215 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.070 0.491 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.789 1.223 -0.507 1.00 0.00 H new ATOM 0 HG SER A 2 8.545 0.487 0.816 1.00 0.00 H new ATOM 170 N ALA A 3 5.753 0.548 -3.234 1.00 0.00 N ATOM 171 CA ALA A 3 4.875 1.250 -4.162 1.00 0.00 C ATOM 172 C ALA A 3 3.866 0.296 -4.792 1.00 0.00 C ATOM 173 O ALA A 3 2.752 0.693 -5.133 1.00 0.00 O ATOM 174 CB ALA A 3 5.694 1.944 -5.240 1.00 0.00 C ATOM 0 H ALA A 3 6.738 0.554 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 3 4.321 2.003 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.026 2.464 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.370 2.663 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.274 1.203 -5.790 1.00 0.00 H new ATOM 180 N GLY A 4 4.265 -0.962 -4.946 1.00 0.00 N ATOM 181 CA GLY A 4 3.385 -1.954 -5.537 1.00 0.00 C ATOM 182 C GLY A 4 2.084 -2.108 -4.773 1.00 0.00 C ATOM 183 O GLY A 4 1.064 -2.490 -5.345 1.00 0.00 O ATOM 0 H GLY A 4 5.183 -1.313 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.166 -1.673 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.898 -2.915 -5.571 1.00 0.00 H new ATOM 187 N THR A 5 2.121 -1.810 -3.479 1.00 0.00 N ATOM 188 CA THR A 5 0.935 -1.918 -2.637 1.00 0.00 C ATOM 189 C THR A 5 0.067 -0.670 -2.756 1.00 0.00 C ATOM 190 O THR A 5 -1.147 -0.761 -2.940 1.00 0.00 O ATOM 191 CB THR A 5 1.338 -2.136 -1.178 1.00 0.00 C ATOM 192 OG1 THR A 5 2.343 -3.130 -1.079 1.00 0.00 O ATOM 193 CG2 THR A 5 0.185 -2.559 -0.295 1.00 0.00 C ATOM 0 H THR A 5 2.958 -1.492 -2.991 1.00 0.00 H new ATOM 0 HA THR A 5 0.355 -2.775 -2.978 1.00 0.00 H new ATOM 0 HB THR A 5 1.703 -1.169 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.589 -3.254 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.540 -2.696 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.587 -1.789 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.231 -3.497 -0.664 1.00 0.00 H new ATOM 201 N GLN A 6 0.698 0.495 -2.648 1.00 0.00 N ATOM 202 CA GLN A 6 -0.016 1.763 -2.745 1.00 0.00 C ATOM 203 C GLN A 6 -0.638 1.938 -4.126 1.00 0.00 C ATOM 204 O GLN A 6 -1.700 2.547 -4.267 1.00 0.00 O ATOM 205 CB GLN A 6 0.932 2.928 -2.448 1.00 0.00 C ATOM 206 CG GLN A 6 0.881 3.402 -1.004 1.00 0.00 C ATOM 207 CD GLN A 6 1.453 4.796 -0.829 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.140 5.709 -1.594 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.298 4.966 0.181 1.00 0.00 N ATOM 0 H GLN A 6 1.702 0.587 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.818 1.756 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.952 2.625 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.685 3.762 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.152 3.391 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.435 2.704 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.529 4.181 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.716 5.881 0.348 1.00 0.00 H new ATOM 218 N GLU A 7 0.031 1.406 -5.143 1.00 0.00 N ATOM 219 CA GLU A 7 -0.453 1.508 -6.515 1.00 0.00 C ATOM 220 C GLU A 7 -1.796 0.800 -6.680 1.00 0.00 C ATOM 221 O GLU A 7 -2.726 1.348 -7.273 1.00 0.00 O ATOM 222 CB GLU A 7 0.570 0.915 -7.484 1.00 0.00 C ATOM 223 CG GLU A 7 0.690 1.685 -8.789 1.00 0.00 C ATOM 224 CD GLU A 7 0.608 0.786 -10.009 1.00 0.00 C ATOM 225 OE1 GLU A 7 -0.078 -0.255 -9.934 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.229 1.124 -11.038 1.00 0.00 O ATOM 0 H GLU A 7 0.911 0.899 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.592 2.565 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.545 0.887 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.294 -0.116 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.102 2.432 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.638 2.224 -8.803 1.00 0.00 H new ATOM 233 N GLU A 8 -1.891 -0.418 -6.157 1.00 0.00 N ATOM 234 CA GLU A 8 -3.122 -1.194 -6.253 1.00 0.00 C ATOM 235 C GLU A 8 -4.244 -0.541 -5.452 1.00 0.00 C ATOM 236 O GLU A 8 -5.417 -0.639 -5.817 1.00 0.00 O ATOM 237 CB GLU A 8 -2.890 -2.625 -5.762 1.00 0.00 C ATOM 238 CG GLU A 8 -2.515 -2.716 -4.293 1.00 0.00 C ATOM 239 CD GLU A 8 -2.881 -4.052 -3.678 1.00 0.00 C ATOM 240 OE1 GLU A 8 -2.123 -5.025 -3.879 1.00 0.00 O ATOM 241 OE2 GLU A 8 -3.926 -4.126 -2.997 1.00 0.00 O ATOM 0 H GLU A 8 -1.132 -0.888 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.421 -1.223 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.794 -3.209 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.099 -3.080 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.443 -2.552 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.016 -1.919 -3.744 1.00 0.00 H new ATOM 248 N LEU A 9 -3.880 0.126 -4.362 1.00 0.00 N ATOM 249 CA LEU A 9 -4.860 0.794 -3.514 1.00 0.00 C ATOM 250 C LEU A 9 -5.544 1.930 -4.267 1.00 0.00 C ATOM 251 O LEU A 9 -6.771 2.039 -4.265 1.00 0.00 O ATOM 252 CB LEU A 9 -4.189 1.333 -2.248 1.00 0.00 C ATOM 253 CG LEU A 9 -4.363 0.463 -1.002 1.00 0.00 C ATOM 254 CD1 LEU A 9 -5.839 0.253 -0.698 1.00 0.00 C ATOM 255 CD2 LEU A 9 -3.661 -0.874 -1.184 1.00 0.00 C ATOM 0 H LEU A 9 -2.915 0.218 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.617 0.063 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.123 1.453 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.588 2.325 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.908 0.979 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.942 -0.368 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.316 1.218 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.318 -0.241 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.795 -1.480 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.087 -1.395 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.597 -0.706 -1.353 1.00 0.00 H new ATOM 267 N LEU A 10 -4.745 2.773 -4.911 1.00 0.00 N ATOM 268 CA LEU A 10 -5.274 3.899 -5.672 1.00 0.00 C ATOM 269 C LEU A 10 -6.128 3.411 -6.839 1.00 0.00 C ATOM 270 O LEU A 10 -7.128 4.035 -7.193 1.00 0.00 O ATOM 271 CB LEU A 10 -4.130 4.774 -6.189 1.00 0.00 C ATOM 272 CG LEU A 10 -4.418 6.275 -6.200 1.00 0.00 C ATOM 273 CD1 LEU A 10 -4.635 6.789 -4.784 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.283 7.030 -6.874 1.00 0.00 C ATOM 0 H LEU A 10 -3.728 2.698 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.903 4.493 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.248 4.593 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.882 4.460 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.331 6.445 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.839 7.859 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.482 6.270 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.740 6.606 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.505 8.097 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.355 6.852 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.175 6.683 -7.902 1.00 0.00 H new ATOM 286 N ARG A 11 -5.724 2.292 -7.432 1.00 0.00 N ATOM 287 CA ARG A 11 -6.450 1.720 -8.559 1.00 0.00 C ATOM 288 C ARG A 11 -7.884 1.380 -8.168 1.00 0.00 C ATOM 289 O ARG A 11 -8.824 1.661 -8.912 1.00 0.00 O ATOM 290 CB ARG A 11 -5.737 0.465 -9.065 1.00 0.00 C ATOM 291 CG ARG A 11 -4.598 0.759 -10.029 1.00 0.00 C ATOM 292 CD ARG A 11 -4.949 0.352 -11.452 1.00 0.00 C ATOM 293 NE ARG A 11 -5.499 1.467 -12.220 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.761 2.440 -12.746 1.00 0.00 C ATOM 295 NH1 ARG A 11 -3.442 2.441 -12.589 1.00 0.00 N ATOM 296 NH2 ARG A 11 -5.341 3.416 -13.432 1.00 0.00 N ATOM 0 H ARG A 11 -4.898 1.764 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.477 2.463 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.346 -0.089 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.463 -0.181 -9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.363 1.823 -10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.703 0.227 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.057 -0.027 -11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.672 -0.463 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.509 1.501 -12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.990 1.693 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.881 3.190 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.353 3.420 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.775 4.162 -13.835 1.00 0.00 H new ATOM 310 N TRP A 12 -8.046 0.775 -6.997 1.00 0.00 N ATOM 311 CA TRP A 12 -9.367 0.396 -6.507 1.00 0.00 C ATOM 312 C TRP A 12 -10.203 1.632 -6.183 1.00 0.00 C ATOM 313 O TRP A 12 -11.365 1.728 -6.575 1.00 0.00 O ATOM 314 CB TRP A 12 -9.240 -0.488 -5.266 1.00 0.00 C ATOM 315 CG TRP A 12 -10.519 -1.174 -4.892 1.00 0.00 C ATOM 316 CD1 TRP A 12 -10.926 -2.418 -5.279 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.561 -0.653 -4.058 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.156 -2.702 -4.738 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.567 -1.635 -3.983 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.740 0.550 -3.367 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.732 -1.451 -3.246 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.898 0.730 -2.634 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.882 -0.266 -2.579 1.00 0.00 C ATOM 0 H TRP A 12 -7.279 0.536 -6.369 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.871 -0.165 -7.294 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.471 -1.240 -5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.904 0.122 -4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.363 -3.082 -5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.679 -3.567 -4.876 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.987 1.324 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.492 -2.217 -3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.047 1.654 -2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.777 -0.095 -1.999 1.00 0.00 H new ATOM 334 N CYS A 13 -9.601 2.573 -5.461 1.00 0.00 N ATOM 335 CA CYS A 13 -10.290 3.801 -5.081 1.00 0.00 C ATOM 336 C CYS A 13 -10.723 4.590 -6.313 1.00 0.00 C ATOM 337 O CYS A 13 -11.854 5.070 -6.389 1.00 0.00 O ATOM 338 CB CYS A 13 -9.387 4.665 -4.200 1.00 0.00 C ATOM 339 SG CYS A 13 -10.283 5.795 -3.109 1.00 0.00 S ATOM 0 H CYS A 13 -8.639 2.508 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.182 3.526 -4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.758 4.013 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.721 5.245 -4.839 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.435 6.466 -2.388 1.00 0.00 H new ATOM 345 N GLN A 14 -9.816 4.720 -7.275 1.00 0.00 N ATOM 346 CA GLN A 14 -10.106 5.454 -8.503 1.00 0.00 C ATOM 347 C GLN A 14 -11.235 4.787 -9.283 1.00 0.00 C ATOM 348 O GLN A 14 -12.047 5.459 -9.917 1.00 0.00 O ATOM 349 CB GLN A 14 -8.851 5.551 -9.373 1.00 0.00 C ATOM 350 CG GLN A 14 -9.073 6.289 -10.684 1.00 0.00 C ATOM 351 CD GLN A 14 -9.540 5.370 -11.796 1.00 0.00 C ATOM 352 OE1 GLN A 14 -9.096 4.227 -11.901 1.00 0.00 O ATOM 353 NE2 GLN A 14 -10.441 5.868 -12.635 1.00 0.00 N ATOM 0 H GLN A 14 -8.875 4.328 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.426 6.459 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.067 6.057 -8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.490 4.545 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.812 7.076 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.145 6.776 -10.985 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.782 6.821 -12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.792 5.297 -13.404 1.00 0.00 H new ATOM 362 N GLU A 15 -11.283 3.460 -9.230 1.00 0.00 N ATOM 363 CA GLU A 15 -12.318 2.708 -9.930 1.00 0.00 C ATOM 364 C GLU A 15 -13.691 2.987 -9.327 1.00 0.00 C ATOM 365 O GLU A 15 -14.663 3.217 -10.047 1.00 0.00 O ATOM 366 CB GLU A 15 -12.018 1.208 -9.870 1.00 0.00 C ATOM 367 CG GLU A 15 -12.952 0.368 -10.726 1.00 0.00 C ATOM 368 CD GLU A 15 -12.999 -1.083 -10.286 1.00 0.00 C ATOM 369 OE1 GLU A 15 -12.115 -1.860 -10.703 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.923 -1.441 -9.524 1.00 0.00 O ATOM 0 H GLU A 15 -10.619 2.885 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.324 3.028 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.991 1.038 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.087 0.873 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.956 0.790 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.630 0.418 -11.766 1.00 0.00 H new ATOM 377 N GLN A 16 -13.762 2.964 -8.000 1.00 0.00 N ATOM 378 CA GLN A 16 -15.014 3.211 -7.295 1.00 0.00 C ATOM 379 C GLN A 16 -15.466 4.658 -7.463 1.00 0.00 C ATOM 380 O GLN A 16 -16.662 4.939 -7.541 1.00 0.00 O ATOM 381 CB GLN A 16 -14.859 2.883 -5.809 1.00 0.00 C ATOM 382 CG GLN A 16 -14.781 1.393 -5.520 1.00 0.00 C ATOM 383 CD GLN A 16 -16.098 0.682 -5.764 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.868 0.443 -4.835 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.362 0.341 -7.020 1.00 0.00 N ATOM 0 H GLN A 16 -12.966 2.776 -7.391 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.776 2.563 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.958 3.366 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.701 3.307 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.009 0.945 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.478 1.243 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.694 0.560 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.233 -0.139 -7.246 1.00 0.00 H new ATOM 394 N THR A 17 -14.505 5.575 -7.513 1.00 0.00 N ATOM 395 CA THR A 17 -14.809 6.994 -7.667 1.00 0.00 C ATOM 396 C THR A 17 -14.930 7.383 -9.141 1.00 0.00 C ATOM 397 O THR A 17 -15.049 8.563 -9.470 1.00 0.00 O ATOM 398 CB THR A 17 -13.735 7.844 -6.985 1.00 0.00 C ATOM 399 OG1 THR A 17 -14.149 9.196 -6.896 1.00 0.00 O ATOM 400 CG2 THR A 17 -12.401 7.821 -7.700 1.00 0.00 C ATOM 0 H THR A 17 -13.510 5.361 -7.449 1.00 0.00 H new ATOM 0 HA THR A 17 -15.771 7.182 -7.190 1.00 0.00 H new ATOM 0 HB THR A 17 -13.605 7.401 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.580 9.462 -7.735 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.688 8.445 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.028 6.798 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.525 8.204 -8.713 1.00 0.00 H new ATOM 408 N ALA A 18 -14.901 6.390 -10.027 1.00 0.00 N ATOM 409 CA ALA A 18 -15.009 6.642 -11.459 1.00 0.00 C ATOM 410 C ALA A 18 -16.463 6.844 -11.872 1.00 0.00 C ATOM 411 O ALA A 18 -17.351 6.112 -11.436 1.00 0.00 O ATOM 412 CB ALA A 18 -14.390 5.494 -12.244 1.00 0.00 C ATOM 0 H ALA A 18 -14.804 5.406 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.464 7.558 -11.685 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.477 5.695 -13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.337 5.397 -11.978 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.911 4.567 -12.005 1.00 0.00 H new ATOM 418 N GLY A 19 -16.699 7.842 -12.718 1.00 0.00 N ATOM 419 CA GLY A 19 -18.048 8.122 -13.176 1.00 0.00 C ATOM 420 C GLY A 19 -18.415 9.586 -13.036 1.00 0.00 C ATOM 421 O GLY A 19 -19.132 10.136 -13.872 1.00 0.00 O ATOM 0 H GLY A 19 -15.981 8.461 -13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.143 7.825 -14.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.754 7.517 -12.607 1.00 0.00 H new ATOM 425 N TYR A 20 -17.923 10.218 -11.976 1.00 0.00 N ATOM 426 CA TYR A 20 -18.204 11.627 -11.730 1.00 0.00 C ATOM 427 C TYR A 20 -17.488 12.510 -12.753 1.00 0.00 C ATOM 428 O TYR A 20 -16.319 12.284 -13.065 1.00 0.00 O ATOM 429 CB TYR A 20 -17.773 12.015 -10.314 1.00 0.00 C ATOM 430 CG TYR A 20 -18.427 11.185 -9.230 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.923 9.939 -8.882 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.550 11.649 -8.557 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.517 9.178 -7.894 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.151 10.894 -7.567 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.630 9.661 -7.240 1.00 0.00 C ATOM 436 OH TYR A 20 -20.226 8.906 -6.255 1.00 0.00 O ATOM 0 H TYR A 20 -17.328 9.777 -11.274 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.278 11.782 -11.830 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.691 11.915 -10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.009 13.066 -10.147 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.051 9.558 -9.393 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.960 12.615 -8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.112 8.211 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.024 11.268 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.536 8.514 -5.680 1.00 0.00 H new ATOM 446 N PRO A 21 -18.181 13.530 -13.290 1.00 0.00 N ATOM 447 CA PRO A 21 -17.601 14.441 -14.280 1.00 0.00 C ATOM 448 C PRO A 21 -16.623 15.432 -13.657 1.00 0.00 C ATOM 449 O PRO A 21 -17.028 16.364 -12.963 1.00 0.00 O ATOM 450 CB PRO A 21 -18.820 15.172 -14.841 1.00 0.00 C ATOM 451 CG PRO A 21 -19.807 15.164 -13.726 1.00 0.00 C ATOM 452 CD PRO A 21 -19.583 13.875 -12.979 1.00 0.00 C ATOM 0 HA PRO A 21 -17.020 13.909 -15.034 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.569 16.189 -15.141 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.214 14.667 -15.723 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.663 16.024 -13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.826 15.221 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.736 14.001 -11.907 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.270 13.096 -13.309 1.00 0.00 H new ATOM 460 N GLY A 22 -15.335 15.223 -13.909 1.00 0.00 N ATOM 461 CA GLY A 22 -14.321 16.106 -13.365 1.00 0.00 C ATOM 462 C GLY A 22 -13.474 15.428 -12.308 1.00 0.00 C ATOM 463 O GLY A 22 -12.333 15.825 -12.068 1.00 0.00 O ATOM 0 H GLY A 22 -14.976 14.458 -14.480 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.678 16.458 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.801 16.985 -12.934 1.00 0.00 H new ATOM 467 N VAL A 23 -14.032 14.404 -11.672 1.00 0.00 N ATOM 468 CA VAL A 23 -13.319 13.673 -10.634 1.00 0.00 C ATOM 469 C VAL A 23 -12.318 12.693 -11.238 1.00 0.00 C ATOM 470 O VAL A 23 -12.689 11.796 -11.994 1.00 0.00 O ATOM 471 CB VAL A 23 -14.289 12.899 -9.723 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.551 12.307 -8.533 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.421 13.803 -9.259 1.00 0.00 C ATOM 0 H VAL A 23 -14.975 14.062 -11.858 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.785 14.414 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.719 12.079 -10.298 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.255 11.764 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.779 11.624 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.089 13.108 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.097 13.239 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.009 14.645 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.969 14.174 -10.125 1.00 0.00 H new ATOM 483 N HIS A 24 -11.049 12.874 -10.893 1.00 0.00 N ATOM 484 CA HIS A 24 -9.986 12.009 -11.392 1.00 0.00 C ATOM 485 C HIS A 24 -9.049 11.601 -10.261 1.00 0.00 C ATOM 486 O HIS A 24 -7.912 12.068 -10.180 1.00 0.00 O ATOM 487 CB HIS A 24 -9.198 12.717 -12.496 1.00 0.00 C ATOM 488 CG HIS A 24 -10.059 13.258 -13.595 1.00 0.00 C ATOM 489 ND1 HIS A 24 -10.949 12.482 -14.307 1.00 0.00 N ATOM 490 CD2 HIS A 24 -10.163 14.509 -14.103 1.00 0.00 C ATOM 491 CE1 HIS A 24 -11.563 13.230 -15.207 1.00 0.00 C ATOM 492 NE2 HIS A 24 -11.104 14.465 -15.103 1.00 0.00 N ATOM 0 H HIS A 24 -10.730 13.614 -10.268 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.443 11.110 -11.806 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.628 13.535 -12.056 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.477 12.019 -12.921 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.609 15.379 -13.782 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.312 12.890 -15.907 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -11.400 15.257 -15.673 1.00 0.00 H new ATOM 501 N VAL A 25 -9.538 10.731 -9.382 1.00 0.00 N ATOM 502 CA VAL A 25 -8.749 10.263 -8.250 1.00 0.00 C ATOM 503 C VAL A 25 -7.596 9.375 -8.705 1.00 0.00 C ATOM 504 O VAL A 25 -7.800 8.227 -9.098 1.00 0.00 O ATOM 505 CB VAL A 25 -9.620 9.489 -7.242 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.806 9.087 -6.021 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.826 10.320 -6.835 1.00 0.00 C ATOM 0 H VAL A 25 -10.477 10.337 -9.433 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.342 11.149 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.976 8.579 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.442 8.542 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.977 8.450 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.415 9.980 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.431 9.759 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.489 11.248 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.424 10.550 -7.717 1.00 0.00 H new ATOM 517 N SER A 26 -6.384 9.915 -8.641 1.00 0.00 N ATOM 518 CA SER A 26 -5.191 9.174 -9.037 1.00 0.00 C ATOM 519 C SER A 26 -3.965 9.664 -8.271 1.00 0.00 C ATOM 520 O SER A 26 -2.831 9.463 -8.702 1.00 0.00 O ATOM 521 CB SER A 26 -4.958 9.310 -10.543 1.00 0.00 C ATOM 522 OG SER A 26 -5.970 8.644 -11.279 1.00 0.00 O ATOM 0 H SER A 26 -6.201 10.865 -8.318 1.00 0.00 H new ATOM 0 HA SER A 26 -5.349 8.123 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.939 10.365 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.984 8.896 -10.802 1.00 0.00 H new ATOM 0 HG SER A 26 -6.640 8.284 -10.661 1.00 0.00 H new ATOM 528 N ASP A 27 -4.205 10.307 -7.131 1.00 0.00 N ATOM 529 CA ASP A 27 -3.124 10.822 -6.298 1.00 0.00 C ATOM 530 C ASP A 27 -3.409 10.563 -4.822 1.00 0.00 C ATOM 531 O ASP A 27 -4.566 10.540 -4.400 1.00 0.00 O ATOM 532 CB ASP A 27 -2.937 12.322 -6.540 1.00 0.00 C ATOM 533 CG ASP A 27 -2.553 12.632 -7.973 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.370 12.442 -8.326 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.435 13.064 -8.743 1.00 0.00 O ATOM 0 H ASP A 27 -5.140 10.483 -6.763 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.206 10.301 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.861 12.845 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.166 12.702 -5.870 1.00 0.00 H new ATOM 540 N LEU A 28 -2.353 10.365 -4.042 1.00 0.00 N ATOM 541 CA LEU A 28 -2.496 10.104 -2.614 1.00 0.00 C ATOM 542 C LEU A 28 -2.374 11.395 -1.805 1.00 0.00 C ATOM 543 O LEU A 28 -1.828 11.398 -0.701 1.00 0.00 O ATOM 544 CB LEU A 28 -1.445 9.091 -2.154 1.00 0.00 C ATOM 545 CG LEU A 28 -2.007 7.762 -1.642 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.895 6.686 -2.711 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.288 7.331 -0.372 1.00 0.00 C ATOM 0 H LEU A 28 -1.389 10.380 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.489 9.689 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.771 8.887 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.847 9.544 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.062 7.904 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.300 5.749 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.457 6.990 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.848 6.546 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.701 6.385 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.225 7.208 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.422 8.091 0.398 1.00 0.00 H new ATOM 559 N SER A 29 -2.886 12.491 -2.357 1.00 0.00 N ATOM 560 CA SER A 29 -2.832 13.782 -1.681 1.00 0.00 C ATOM 561 C SER A 29 -3.810 14.771 -2.308 1.00 0.00 C ATOM 562 O SER A 29 -4.810 15.144 -1.694 1.00 0.00 O ATOM 563 CB SER A 29 -1.412 14.350 -1.734 1.00 0.00 C ATOM 564 OG SER A 29 -0.673 13.986 -0.580 1.00 0.00 O ATOM 0 H SER A 29 -3.342 12.511 -3.269 1.00 0.00 H new ATOM 0 HA SER A 29 -3.118 13.629 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.904 13.984 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.454 15.436 -1.815 1.00 0.00 H new ATOM 0 HG SER A 29 -0.861 13.052 -0.352 1.00 0.00 H new ATOM 570 N SER A 30 -3.514 15.195 -3.532 1.00 0.00 N ATOM 571 CA SER A 30 -4.365 16.144 -4.241 1.00 0.00 C ATOM 572 C SER A 30 -5.770 15.581 -4.439 1.00 0.00 C ATOM 573 O SER A 30 -6.763 16.271 -4.208 1.00 0.00 O ATOM 574 CB SER A 30 -3.749 16.496 -5.598 1.00 0.00 C ATOM 575 OG SER A 30 -3.836 17.887 -5.852 1.00 0.00 O ATOM 0 H SER A 30 -2.690 14.896 -4.054 1.00 0.00 H new ATOM 0 HA SER A 30 -4.440 17.047 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.705 16.184 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.262 15.946 -6.387 1.00 0.00 H new ATOM 0 HG SER A 30 -3.434 18.086 -6.723 1.00 0.00 H new ATOM 581 N SER A 31 -5.844 14.328 -4.875 1.00 0.00 N ATOM 582 CA SER A 31 -7.129 13.671 -5.112 1.00 0.00 C ATOM 583 C SER A 31 -8.040 13.764 -3.890 1.00 0.00 C ATOM 584 O SER A 31 -9.264 13.718 -4.016 1.00 0.00 O ATOM 585 CB SER A 31 -6.909 12.204 -5.485 1.00 0.00 C ATOM 586 OG SER A 31 -6.029 12.082 -6.588 1.00 0.00 O ATOM 0 H SER A 31 -5.031 13.745 -5.072 1.00 0.00 H new ATOM 0 HA SER A 31 -7.619 14.187 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.501 11.666 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.865 11.740 -5.726 1.00 0.00 H new ATOM 0 HG SER A 31 -6.409 12.546 -7.363 1.00 0.00 H new ATOM 592 N TRP A 32 -7.441 13.890 -2.710 1.00 0.00 N ATOM 593 CA TRP A 32 -8.208 13.983 -1.471 1.00 0.00 C ATOM 594 C TRP A 32 -8.274 15.421 -0.954 1.00 0.00 C ATOM 595 O TRP A 32 -8.910 15.692 0.064 1.00 0.00 O ATOM 596 CB TRP A 32 -7.595 13.075 -0.404 1.00 0.00 C ATOM 597 CG TRP A 32 -7.331 11.683 -0.890 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.312 11.278 -1.704 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.101 10.511 -0.595 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.400 9.925 -1.932 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.490 9.432 -1.263 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.246 10.270 0.169 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.986 8.133 -1.187 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.737 8.980 0.242 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.108 7.927 -0.432 1.00 0.00 C ATOM 0 H TRP A 32 -6.429 13.930 -2.585 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.226 13.657 -1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.660 13.514 -0.057 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.265 13.032 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.549 11.926 -2.109 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.759 9.377 -2.506 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.738 11.076 0.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.503 7.318 -1.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.621 8.781 0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.517 6.931 -0.354 1.00 0.00 H new ATOM 616 N ALA A 33 -7.613 16.340 -1.656 1.00 0.00 N ATOM 617 CA ALA A 33 -7.601 17.744 -1.260 1.00 0.00 C ATOM 618 C ALA A 33 -9.016 18.275 -1.040 1.00 0.00 C ATOM 619 O ALA A 33 -9.296 18.917 -0.026 1.00 0.00 O ATOM 620 CB ALA A 33 -6.883 18.580 -2.309 1.00 0.00 C ATOM 0 H ALA A 33 -7.080 16.136 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.065 17.820 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.881 19.626 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.856 18.230 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.397 18.484 -3.265 1.00 0.00 H new ATOM 626 N ASP A 34 -9.902 18.002 -1.991 1.00 0.00 N ATOM 627 CA ASP A 34 -11.288 18.453 -1.894 1.00 0.00 C ATOM 628 C ASP A 34 -12.187 17.365 -1.307 1.00 0.00 C ATOM 629 O ASP A 34 -13.363 17.609 -1.030 1.00 0.00 O ATOM 630 CB ASP A 34 -11.808 18.873 -3.272 1.00 0.00 C ATOM 631 CG ASP A 34 -11.502 17.848 -4.345 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.470 16.641 -4.021 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.294 18.250 -5.508 1.00 0.00 O ATOM 0 H ASP A 34 -9.688 17.472 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.312 19.312 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.886 19.027 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.362 19.828 -3.549 1.00 0.00 H new ATOM 638 N GLY A 35 -11.636 16.169 -1.116 1.00 0.00 N ATOM 639 CA GLY A 35 -12.414 15.076 -0.560 1.00 0.00 C ATOM 640 C GLY A 35 -13.303 14.411 -1.592 1.00 0.00 C ATOM 641 O GLY A 35 -14.421 13.998 -1.284 1.00 0.00 O ATOM 0 H GLY A 35 -10.667 15.938 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.739 14.334 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.030 15.452 0.257 1.00 0.00 H new ATOM 645 N LEU A 36 -12.808 14.310 -2.821 1.00 0.00 N ATOM 646 CA LEU A 36 -13.568 13.693 -3.902 1.00 0.00 C ATOM 647 C LEU A 36 -13.593 12.173 -3.759 1.00 0.00 C ATOM 648 O LEU A 36 -14.616 11.535 -4.005 1.00 0.00 O ATOM 649 CB LEU A 36 -12.971 14.081 -5.260 1.00 0.00 C ATOM 650 CG LEU A 36 -13.848 14.990 -6.124 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.273 14.461 -6.190 1.00 0.00 C ATOM 652 CD2 LEU A 36 -13.829 16.414 -5.588 1.00 0.00 C ATOM 0 H LEU A 36 -11.885 14.647 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.593 14.059 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.017 14.579 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.759 13.170 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.442 14.997 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.878 15.123 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.270 13.461 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.693 14.420 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.458 17.047 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.208 16.423 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.807 16.793 -5.599 1.00 0.00 H new ATOM 664 N ALA A 37 -12.461 11.599 -3.365 1.00 0.00 N ATOM 665 CA ALA A 37 -12.356 10.153 -3.196 1.00 0.00 C ATOM 666 C ALA A 37 -13.310 9.650 -2.117 1.00 0.00 C ATOM 667 O ALA A 37 -14.024 8.666 -2.315 1.00 0.00 O ATOM 668 CB ALA A 37 -10.925 9.765 -2.859 1.00 0.00 C ATOM 0 H ALA A 37 -11.604 12.112 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.639 9.683 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.861 8.684 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.263 10.078 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.624 10.254 -1.933 1.00 0.00 H new ATOM 674 N LEU A 38 -13.314 10.328 -0.973 1.00 0.00 N ATOM 675 CA LEU A 38 -14.180 9.944 0.138 1.00 0.00 C ATOM 676 C LEU A 38 -15.643 10.222 -0.191 1.00 0.00 C ATOM 677 O LEU A 38 -16.522 9.411 0.103 1.00 0.00 O ATOM 678 CB LEU A 38 -13.778 10.698 1.407 1.00 0.00 C ATOM 679 CG LEU A 38 -12.271 10.764 1.670 1.00 0.00 C ATOM 680 CD1 LEU A 38 -11.856 12.170 2.074 1.00 0.00 C ATOM 681 CD2 LEU A 38 -11.874 9.761 2.745 1.00 0.00 C ATOM 0 H LEU A 38 -12.729 11.144 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.062 8.873 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.166 11.715 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.260 10.224 2.262 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.751 10.507 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.782 12.194 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.104 12.867 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.384 12.458 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.800 9.821 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.405 9.989 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.133 8.754 2.417 1.00 0.00 H new ATOM 693 N CYS A 39 -15.897 11.377 -0.798 1.00 0.00 N ATOM 694 CA CYS A 39 -17.253 11.766 -1.166 1.00 0.00 C ATOM 695 C CYS A 39 -17.833 10.815 -2.207 1.00 0.00 C ATOM 696 O CYS A 39 -18.956 10.332 -2.066 1.00 0.00 O ATOM 697 CB CYS A 39 -17.261 13.197 -1.704 1.00 0.00 C ATOM 698 SG CYS A 39 -17.335 14.468 -0.421 1.00 0.00 S ATOM 0 H CYS A 39 -15.181 12.060 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 39 -17.875 11.714 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.364 13.353 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.115 13.318 -2.370 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.148 14.964 -0.232 1.00 0.00 H new ATOM 704 N ALA A 40 -17.060 10.552 -3.257 1.00 0.00 N ATOM 705 CA ALA A 40 -17.497 9.662 -4.327 1.00 0.00 C ATOM 706 C ALA A 40 -17.867 8.284 -3.786 1.00 0.00 C ATOM 707 O ALA A 40 -18.870 7.697 -4.192 1.00 0.00 O ATOM 708 CB ALA A 40 -16.411 9.543 -5.386 1.00 0.00 C ATOM 0 H ALA A 40 -16.127 10.943 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.390 10.092 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.748 8.876 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.201 10.528 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.505 9.140 -4.934 1.00 0.00 H new ATOM 714 N LEU A 41 -17.050 7.769 -2.872 1.00 0.00 N ATOM 715 CA LEU A 41 -17.293 6.457 -2.281 1.00 0.00 C ATOM 716 C LEU A 41 -18.644 6.418 -1.570 1.00 0.00 C ATOM 717 O LEU A 41 -19.456 5.527 -1.810 1.00 0.00 O ATOM 718 CB LEU A 41 -16.177 6.103 -1.297 1.00 0.00 C ATOM 719 CG LEU A 41 -14.791 5.931 -1.923 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.705 6.313 -0.930 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.598 4.499 -2.403 1.00 0.00 C ATOM 0 H LEU A 41 -16.214 8.240 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.306 5.723 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.122 6.883 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.445 5.179 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.717 6.596 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.727 6.184 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.832 7.354 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.776 5.675 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.607 4.394 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.692 3.816 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.356 4.260 -3.149 1.00 0.00 H new ATOM 733 N VAL A 42 -18.873 7.388 -0.692 1.00 0.00 N ATOM 734 CA VAL A 42 -20.123 7.463 0.057 1.00 0.00 C ATOM 735 C VAL A 42 -21.316 7.636 -0.876 1.00 0.00 C ATOM 736 O VAL A 42 -22.311 6.918 -0.770 1.00 0.00 O ATOM 737 CB VAL A 42 -20.104 8.624 1.070 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.339 8.582 1.954 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.835 8.581 1.910 1.00 0.00 C ATOM 0 H VAL A 42 -18.210 8.134 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.223 6.522 0.597 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.114 9.563 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.307 9.410 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.232 8.668 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.364 7.638 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.840 9.409 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.790 7.637 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.965 8.666 1.259 1.00 0.00 H new ATOM 749 N TYR A 43 -21.214 8.596 -1.789 1.00 0.00 N ATOM 750 CA TYR A 43 -22.287 8.868 -2.741 1.00 0.00 C ATOM 751 C TYR A 43 -22.615 7.627 -3.567 1.00 0.00 C ATOM 752 O TYR A 43 -23.778 7.365 -3.875 1.00 0.00 O ATOM 753 CB TYR A 43 -21.891 10.018 -3.669 1.00 0.00 C ATOM 754 CG TYR A 43 -23.046 10.575 -4.469 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.003 11.384 -3.871 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.178 10.292 -5.822 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.061 11.895 -4.598 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.234 10.800 -6.557 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.171 11.600 -5.941 1.00 0.00 C ATOM 760 OH TYR A 43 -26.223 12.109 -6.668 1.00 0.00 O ATOM 0 H TYR A 43 -20.398 9.200 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.175 9.150 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.452 10.819 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.119 9.671 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.919 11.618 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.445 9.665 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.798 12.522 -4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.323 10.571 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.154 11.808 -7.598 1.00 0.00 H new ATOM 770 N ARG A 44 -21.584 6.870 -3.925 1.00 0.00 N ATOM 771 CA ARG A 44 -21.766 5.661 -4.721 1.00 0.00 C ATOM 772 C ARG A 44 -22.600 4.628 -3.971 1.00 0.00 C ATOM 773 O ARG A 44 -23.447 3.956 -4.559 1.00 0.00 O ATOM 774 CB ARG A 44 -20.406 5.063 -5.093 1.00 0.00 C ATOM 775 CG ARG A 44 -20.471 4.081 -6.250 1.00 0.00 C ATOM 776 CD ARG A 44 -20.878 4.770 -7.544 1.00 0.00 C ATOM 777 NE ARG A 44 -20.877 3.850 -8.678 1.00 0.00 N ATOM 778 CZ ARG A 44 -19.776 3.476 -9.328 1.00 0.00 C ATOM 779 NH1 ARG A 44 -18.588 3.938 -8.960 1.00 0.00 N ATOM 780 NH2 ARG A 44 -19.865 2.637 -10.351 1.00 0.00 N ATOM 0 H ARG A 44 -20.615 7.071 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.300 5.935 -5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.721 5.871 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -19.990 4.558 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.499 3.605 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.184 3.290 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -21.872 5.201 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.195 5.595 -7.746 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.771 3.472 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.513 4.584 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.750 3.647 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.776 2.279 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.023 2.350 -10.850 1.00 0.00 H new ATOM 794 N LEU A 45 -22.356 4.502 -2.670 1.00 0.00 N ATOM 795 CA LEU A 45 -23.087 3.547 -1.846 1.00 0.00 C ATOM 796 C LEU A 45 -24.425 4.122 -1.392 1.00 0.00 C ATOM 797 O LEU A 45 -25.421 3.403 -1.304 1.00 0.00 O ATOM 798 CB LEU A 45 -22.250 3.148 -0.630 1.00 0.00 C ATOM 799 CG LEU A 45 -21.288 1.979 -0.859 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.053 0.670 -0.961 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.456 2.211 -2.113 1.00 0.00 C ATOM 0 H LEU A 45 -21.659 5.049 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.284 2.662 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.674 4.014 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.924 2.889 0.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.614 1.916 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.352 -0.149 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.604 0.498 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.752 0.721 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.778 1.370 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.116 2.301 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.878 3.128 -2.002 1.00 0.00 H new ATOM 813 N GLN A 46 -24.444 5.418 -1.106 1.00 0.00 N ATOM 814 CA GLN A 46 -25.663 6.084 -0.661 1.00 0.00 C ATOM 815 C GLN A 46 -25.807 7.456 -1.314 1.00 0.00 C ATOM 816 O GLN A 46 -25.669 8.486 -0.655 1.00 0.00 O ATOM 817 CB GLN A 46 -25.665 6.226 0.863 1.00 0.00 C ATOM 818 CG GLN A 46 -25.882 4.912 1.596 1.00 0.00 C ATOM 819 CD GLN A 46 -27.306 4.748 2.090 1.00 0.00 C ATOM 820 OE1 GLN A 46 -27.548 4.624 3.291 1.00 0.00 O ATOM 821 NE2 GLN A 46 -28.258 4.747 1.163 1.00 0.00 N ATOM 0 H GLN A 46 -23.630 6.029 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.512 5.470 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.716 6.657 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.447 6.928 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -25.634 4.084 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -25.199 4.856 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.012 4.853 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -29.235 4.641 1.436 1.00 0.00 H new ATOM 830 N PRO A 47 -26.094 7.486 -2.627 1.00 0.00 N ATOM 831 CA PRO A 47 -26.264 8.738 -3.368 1.00 0.00 C ATOM 832 C PRO A 47 -27.572 9.439 -3.019 1.00 0.00 C ATOM 833 O PRO A 47 -27.686 10.660 -3.137 1.00 0.00 O ATOM 834 CB PRO A 47 -26.270 8.286 -4.828 1.00 0.00 C ATOM 835 CG PRO A 47 -26.772 6.885 -4.787 1.00 0.00 C ATOM 836 CD PRO A 47 -26.282 6.302 -3.488 1.00 0.00 C ATOM 0 HA PRO A 47 -25.482 9.462 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.915 8.920 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.272 8.337 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.860 6.860 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.399 6.313 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.006 5.607 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.351 5.751 -3.621 1.00 0.00 H new ATOM 844 N GLY A 48 -28.557 8.657 -2.590 1.00 0.00 N ATOM 845 CA GLY A 48 -29.847 9.217 -2.230 1.00 0.00 C ATOM 846 C GLY A 48 -29.850 9.848 -0.849 1.00 0.00 C ATOM 847 O GLY A 48 -30.828 10.487 -0.458 1.00 0.00 O ATOM 0 H GLY A 48 -28.485 7.645 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.131 9.967 -2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.602 8.432 -2.267 1.00 0.00 H new ATOM 851 N LEU A 49 -28.761 9.669 -0.106 1.00 0.00 N ATOM 852 CA LEU A 49 -28.654 10.231 1.236 1.00 0.00 C ATOM 853 C LEU A 49 -27.410 11.103 1.372 1.00 0.00 C ATOM 854 O LEU A 49 -26.908 11.315 2.477 1.00 0.00 O ATOM 855 CB LEU A 49 -28.624 9.112 2.279 1.00 0.00 C ATOM 856 CG LEU A 49 -29.818 8.156 2.239 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.589 6.980 3.174 1.00 0.00 C ATOM 858 CD2 LEU A 49 -31.099 8.890 2.606 1.00 0.00 C ATOM 0 H LEU A 49 -27.943 9.141 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.530 10.857 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.710 8.533 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -28.571 9.562 3.270 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.920 7.772 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.448 6.310 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -28.693 6.440 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.462 7.345 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.939 8.196 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -31.008 9.301 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -31.270 9.700 1.897 1.00 0.00 H new ATOM 870 N LEU A 50 -26.915 11.609 0.246 1.00 0.00 N ATOM 871 CA LEU A 50 -25.731 12.458 0.248 1.00 0.00 C ATOM 872 C LEU A 50 -25.804 13.498 -0.868 1.00 0.00 C ATOM 873 O LEU A 50 -26.586 13.358 -1.809 1.00 0.00 O ATOM 874 CB LEU A 50 -24.467 11.606 0.092 1.00 0.00 C ATOM 875 CG LEU A 50 -23.500 11.661 1.277 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.836 10.578 2.291 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.063 11.520 0.800 1.00 0.00 C ATOM 0 H LEU A 50 -27.316 11.445 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.690 12.982 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.763 10.569 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.938 11.929 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.606 12.631 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.138 10.633 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.852 10.725 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.759 9.599 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.390 11.561 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.941 10.565 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.826 12.332 0.113 1.00 0.00 H new ATOM 889 N GLU A 51 -24.983 14.537 -0.758 1.00 0.00 N ATOM 890 CA GLU A 51 -24.949 15.598 -1.759 1.00 0.00 C ATOM 891 C GLU A 51 -23.543 16.189 -1.882 1.00 0.00 C ATOM 892 O GLU A 51 -23.373 17.410 -1.903 1.00 0.00 O ATOM 893 CB GLU A 51 -25.949 16.700 -1.398 1.00 0.00 C ATOM 894 CG GLU A 51 -27.304 16.172 -0.951 1.00 0.00 C ATOM 895 CD GLU A 51 -28.225 17.272 -0.463 1.00 0.00 C ATOM 896 OE1 GLU A 51 -28.658 18.097 -1.295 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.515 17.307 0.751 1.00 0.00 O ATOM 0 H GLU A 51 -24.331 14.667 0.016 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.226 15.165 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.528 17.315 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -26.089 17.349 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.778 15.648 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.161 15.443 -0.154 1.00 0.00 H new ATOM 904 N PRO A 52 -22.512 15.328 -1.970 1.00 0.00 N ATOM 905 CA PRO A 52 -21.121 15.775 -2.092 1.00 0.00 C ATOM 906 C PRO A 52 -20.883 16.621 -3.337 1.00 0.00 C ATOM 907 O PRO A 52 -19.886 17.336 -3.429 1.00 0.00 O ATOM 908 CB PRO A 52 -20.321 14.470 -2.173 1.00 0.00 C ATOM 909 CG PRO A 52 -21.311 13.424 -2.556 1.00 0.00 C ATOM 910 CD PRO A 52 -22.618 13.860 -1.962 1.00 0.00 C ATOM 0 HA PRO A 52 -20.834 16.413 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.522 14.544 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.852 14.236 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.385 13.334 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.015 12.447 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.466 13.513 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.753 13.471 -0.953 1.00 0.00 H new ATOM 918 N SER A 53 -21.806 16.543 -4.295 1.00 0.00 N ATOM 919 CA SER A 53 -21.686 17.310 -5.528 1.00 0.00 C ATOM 920 C SER A 53 -21.492 18.791 -5.221 1.00 0.00 C ATOM 921 O SER A 53 -20.680 19.467 -5.852 1.00 0.00 O ATOM 922 CB SER A 53 -22.926 17.112 -6.402 1.00 0.00 C ATOM 923 OG SER A 53 -22.567 16.870 -7.752 1.00 0.00 O ATOM 0 H SER A 53 -22.640 15.959 -4.239 1.00 0.00 H new ATOM 0 HA SER A 53 -20.812 16.950 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.512 16.275 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.560 17.997 -6.344 1.00 0.00 H new ATOM 0 HG SER A 53 -23.377 16.745 -8.289 1.00 0.00 H new ATOM 929 N GLU A 54 -22.240 19.282 -4.242 1.00 0.00 N ATOM 930 CA GLU A 54 -22.148 20.679 -3.838 1.00 0.00 C ATOM 931 C GLU A 54 -20.837 20.942 -3.100 1.00 0.00 C ATOM 932 O GLU A 54 -20.117 21.891 -3.407 1.00 0.00 O ATOM 933 CB GLU A 54 -23.336 21.053 -2.947 1.00 0.00 C ATOM 934 CG GLU A 54 -24.206 22.157 -3.527 1.00 0.00 C ATOM 935 CD GLU A 54 -25.594 22.187 -2.917 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.390 21.270 -3.210 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.883 23.127 -2.147 1.00 0.00 O ATOM 0 H GLU A 54 -22.918 18.733 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.170 21.297 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.949 20.167 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.964 21.369 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.721 23.120 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.290 22.020 -4.605 1.00 0.00 H new ATOM 944 N LEU A 55 -20.542 20.092 -2.121 1.00 0.00 N ATOM 945 CA LEU A 55 -19.326 20.219 -1.323 1.00 0.00 C ATOM 946 C LEU A 55 -18.073 19.903 -2.137 1.00 0.00 C ATOM 947 O LEU A 55 -16.954 20.132 -1.675 1.00 0.00 O ATOM 948 CB LEU A 55 -19.400 19.293 -0.108 1.00 0.00 C ATOM 949 CG LEU A 55 -20.661 19.443 0.747 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.231 18.080 1.103 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.361 20.242 2.007 1.00 0.00 C ATOM 0 H LEU A 55 -21.133 19.303 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.256 21.256 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.334 18.261 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.529 19.475 0.522 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.406 19.985 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.127 18.208 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.486 17.542 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.490 17.511 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.269 20.338 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.598 19.728 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.001 21.233 1.732 1.00 0.00 H new ATOM 963 N GLN A 56 -18.254 19.370 -3.342 1.00 0.00 N ATOM 964 CA GLN A 56 -17.122 19.022 -4.194 1.00 0.00 C ATOM 965 C GLN A 56 -16.284 20.254 -4.517 1.00 0.00 C ATOM 966 O GLN A 56 -15.061 20.171 -4.630 1.00 0.00 O ATOM 967 CB GLN A 56 -17.609 18.368 -5.489 1.00 0.00 C ATOM 968 CG GLN A 56 -17.579 16.849 -5.452 1.00 0.00 C ATOM 969 CD GLN A 56 -17.865 16.229 -6.807 1.00 0.00 C ATOM 970 OE1 GLN A 56 -18.746 15.380 -6.940 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.119 16.652 -7.822 1.00 0.00 N ATOM 0 H GLN A 56 -19.168 19.171 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.498 18.312 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.628 18.698 -5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -16.990 18.715 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -16.601 16.517 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.314 16.492 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.399 17.358 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.266 16.271 -8.757 1.00 0.00 H new ATOM 980 N GLY A 57 -16.947 21.395 -4.661 1.00 0.00 N ATOM 981 CA GLY A 57 -16.243 22.627 -4.967 1.00 0.00 C ATOM 982 C GLY A 57 -16.552 23.744 -3.985 1.00 0.00 C ATOM 983 O GLY A 57 -15.973 24.828 -4.071 1.00 0.00 O ATOM 0 H GLY A 57 -17.959 21.490 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.170 22.436 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.509 22.951 -5.973 1.00 0.00 H new ATOM 987 N LEU A 58 -17.463 23.486 -3.050 1.00 0.00 N ATOM 988 CA LEU A 58 -17.839 24.484 -2.055 1.00 0.00 C ATOM 989 C LEU A 58 -16.766 24.612 -0.981 1.00 0.00 C ATOM 990 O LEU A 58 -16.585 25.678 -0.393 1.00 0.00 O ATOM 991 CB LEU A 58 -19.180 24.115 -1.416 1.00 0.00 C ATOM 992 CG LEU A 58 -20.350 25.011 -1.822 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.171 24.357 -2.922 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.225 25.327 -0.616 1.00 0.00 C ATOM 0 H LEU A 58 -17.953 22.596 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.937 25.446 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.421 23.085 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.072 24.150 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.946 25.947 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.999 25.011 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.540 24.185 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.564 23.405 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.053 25.966 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.618 24.400 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.631 25.842 0.139 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.057 23.518 -0.729 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.010 23.529 0.276 1.00 0.00 C ATOM 1008 C GLY A 59 -14.483 22.141 0.579 1.00 0.00 C ATOM 1009 O GLY A 59 -15.246 21.176 0.624 1.00 0.00 O ATOM 0 H GLY A 59 -16.188 22.624 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.189 24.159 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.395 23.976 1.192 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.175 22.039 0.786 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.546 20.759 1.086 1.00 0.00 C ATOM 1015 C ALA A 60 -12.914 20.283 2.488 1.00 0.00 C ATOM 1016 O ALA A 60 -13.426 19.177 2.663 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.036 20.866 0.943 1.00 0.00 C ATOM 0 H ALA A 60 -12.530 22.828 0.751 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.916 20.024 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.580 19.902 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.787 21.154 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.657 21.619 1.635 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.647 21.124 3.482 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.950 20.787 4.870 1.00 0.00 C ATOM 1025 C LEU A 61 -14.437 20.502 5.050 1.00 0.00 C ATOM 1026 O LEU A 61 -14.820 19.568 5.754 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.522 21.926 5.797 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.033 22.270 5.756 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.795 23.677 6.286 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.230 21.256 6.554 1.00 0.00 C ATOM 0 H LEU A 61 -12.222 22.042 3.354 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.393 19.887 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.092 22.818 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.790 21.662 6.820 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.700 22.233 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.730 23.904 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.340 24.394 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.144 23.742 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.172 21.517 6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.566 21.261 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.375 20.262 6.130 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.273 21.313 4.408 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.718 21.150 4.499 1.00 0.00 C ATOM 1044 C GLU A 62 -17.155 19.814 3.907 1.00 0.00 C ATOM 1045 O GLU A 62 -17.944 19.084 4.508 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.428 22.296 3.777 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.673 23.511 4.658 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.731 24.438 4.091 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.874 23.980 3.889 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -18.414 25.621 3.849 1.00 0.00 O ATOM 0 H GLU A 62 -14.973 22.090 3.819 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.993 21.167 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.832 22.597 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.383 21.937 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.979 23.180 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.740 24.061 4.779 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.638 19.498 2.724 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.976 18.250 2.050 1.00 0.00 C ATOM 1059 C ALA A 63 -16.486 17.045 2.847 1.00 0.00 C ATOM 1060 O ALA A 63 -17.202 16.053 2.993 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.387 18.232 0.649 1.00 0.00 C ATOM 0 H ALA A 63 -15.983 20.089 2.212 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.062 18.187 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.647 17.295 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.789 19.067 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.302 18.322 0.709 1.00 0.00 H new ATOM 1067 N THR A 64 -15.264 17.137 3.359 1.00 0.00 N ATOM 1068 CA THR A 64 -14.679 16.052 4.138 1.00 0.00 C ATOM 1069 C THR A 64 -15.419 15.870 5.460 1.00 0.00 C ATOM 1070 O THR A 64 -15.817 14.758 5.810 1.00 0.00 O ATOM 1071 CB THR A 64 -13.199 16.328 4.403 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.563 16.816 3.237 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.436 15.105 4.865 1.00 0.00 C ATOM 0 H THR A 64 -14.659 17.951 3.249 1.00 0.00 H new ATOM 0 HA THR A 64 -14.773 15.132 3.561 1.00 0.00 H new ATOM 0 HB THR A 64 -13.182 17.070 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.602 17.795 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.392 15.370 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.872 14.733 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.494 14.330 4.101 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.596 16.964 6.191 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.284 16.921 7.477 1.00 0.00 C ATOM 1083 C ALA A 65 -17.751 16.541 7.306 1.00 0.00 C ATOM 1084 O ALA A 65 -18.283 15.728 8.063 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.164 18.264 8.183 1.00 0.00 C ATOM 0 H ALA A 65 -15.273 17.892 5.916 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.808 16.155 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.681 18.219 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.112 18.495 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.613 19.041 7.565 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.401 17.133 6.309 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.807 16.852 6.044 1.00 0.00 C ATOM 1093 C TRP A 66 -19.997 15.415 5.567 1.00 0.00 C ATOM 1094 O TRP A 66 -20.859 14.694 6.065 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.357 17.825 4.999 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.852 17.826 4.917 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.712 18.621 5.620 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.668 16.992 4.085 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -24.010 18.332 5.277 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.009 17.336 4.337 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.392 15.989 3.152 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.072 16.712 3.688 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.448 15.370 2.509 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.774 15.732 2.780 1.00 0.00 C ATOM 0 H TRP A 66 -17.978 17.809 5.673 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.357 16.982 6.976 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.013 18.832 5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.947 17.568 4.022 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.414 19.368 6.341 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.840 18.785 5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.373 15.703 2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.095 16.991 3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.247 14.594 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.577 15.228 2.262 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.185 15.010 4.597 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.260 13.660 4.050 1.00 0.00 C ATOM 1117 C ALA A 67 -18.899 12.616 5.102 1.00 0.00 C ATOM 1118 O ALA A 67 -19.518 11.556 5.176 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.350 13.530 2.839 1.00 0.00 C ATOM 0 H ALA A 67 -18.467 15.597 4.173 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.289 13.479 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.416 12.517 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.659 14.242 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.321 13.738 3.133 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.889 12.922 5.910 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.442 12.008 6.954 1.00 0.00 C ATOM 1127 C LEU A 68 -18.530 11.798 8.002 1.00 0.00 C ATOM 1128 O LEU A 68 -18.805 10.668 8.406 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.173 12.541 7.622 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.868 12.185 6.906 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.730 13.059 7.409 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.541 10.713 7.101 1.00 0.00 C ATOM 0 H LEU A 68 -17.365 13.796 5.862 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.224 11.048 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.246 13.626 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.128 12.157 8.641 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.996 12.370 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.810 12.793 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.964 14.106 7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.599 12.905 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.610 10.476 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.431 10.503 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.347 10.104 6.692 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.142 12.892 8.444 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.196 12.823 9.450 1.00 0.00 C ATOM 1146 C LYS A 69 -21.394 12.030 8.935 1.00 0.00 C ATOM 1147 O LYS A 69 -21.904 11.144 9.619 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.637 14.231 9.853 1.00 0.00 C ATOM 1149 CG LYS A 69 -20.908 14.381 11.341 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.889 15.509 11.617 1.00 0.00 C ATOM 1151 CE LYS A 69 -22.503 15.389 13.002 1.00 0.00 C ATOM 1152 NZ LYS A 69 -23.880 14.824 12.953 1.00 0.00 N ATOM 0 H LYS A 69 -18.927 13.836 8.122 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.795 12.310 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.865 14.942 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.539 14.493 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.306 13.446 11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.972 14.575 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.377 16.467 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.679 15.497 10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.872 14.754 13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.530 16.372 13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.263 14.759 13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.489 15.443 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.851 13.876 12.527 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.838 12.354 7.725 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.974 11.669 7.122 1.00 0.00 C ATOM 1168 C VAL A 70 -22.623 10.224 6.781 1.00 0.00 C ATOM 1169 O VAL A 70 -23.435 9.319 6.971 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.455 12.386 5.846 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.723 11.736 5.311 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.682 13.865 6.120 1.00 0.00 C ATOM 0 H VAL A 70 -21.429 13.086 7.144 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.778 11.682 7.858 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.679 12.294 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.047 12.257 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.524 10.691 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.508 11.794 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -24.021 14.356 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.438 13.979 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.749 14.321 6.452 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.410 10.014 6.279 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.959 8.674 5.918 1.00 0.00 C ATOM 1184 C ALA A 71 -21.076 7.730 7.108 1.00 0.00 C ATOM 1185 O ALA A 71 -21.585 6.617 6.985 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.523 8.716 5.414 1.00 0.00 C ATOM 0 H ALA A 71 -20.724 10.751 6.113 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.598 8.300 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.201 7.709 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.464 9.359 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.874 9.110 6.196 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.615 8.191 8.265 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.678 7.397 9.484 1.00 0.00 C ATOM 1194 C GLU A 72 -22.121 7.263 9.958 1.00 0.00 C ATOM 1195 O GLU A 72 -22.525 6.222 10.467 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.819 8.029 10.581 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.266 9.426 10.981 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.598 9.910 12.253 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.817 9.287 13.314 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -18.855 10.912 12.189 1.00 0.00 O ATOM 0 H GLU A 72 -20.193 9.112 8.383 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.288 6.403 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.838 7.386 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.785 8.072 10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.043 10.121 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.347 9.432 11.118 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.893 8.332 9.794 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.289 8.340 10.211 1.00 0.00 C ATOM 1209 C ASN A 73 -25.142 7.425 9.333 1.00 0.00 C ATOM 1210 O ASN A 73 -26.025 6.725 9.827 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.843 9.766 10.171 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.064 10.339 11.557 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.116 10.727 12.241 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -26.322 10.394 11.982 1.00 0.00 N ATOM 0 H ASN A 73 -22.574 9.205 9.374 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.333 7.963 11.233 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.152 10.406 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.786 9.771 9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -26.532 10.769 12.907 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -27.078 10.062 11.383 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.885 7.451 8.030 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.644 6.640 7.081 1.00 0.00 C ATOM 1223 C GLU A 74 -25.156 5.191 7.033 1.00 0.00 C ATOM 1224 O GLU A 74 -25.962 4.263 6.969 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.565 7.259 5.683 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.782 8.093 5.318 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.834 9.409 6.071 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.166 9.517 7.122 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.541 10.329 5.611 1.00 0.00 O ATOM 0 H GLU A 74 -24.157 8.025 7.605 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.679 6.626 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.674 7.884 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.447 6.463 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.774 8.292 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.686 7.522 5.529 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.840 5.000 7.039 1.00 0.00 N ATOM 1237 CA LEU A 75 -23.270 3.655 6.970 1.00 0.00 C ATOM 1238 C LEU A 75 -22.923 3.104 8.351 1.00 0.00 C ATOM 1239 O LEU A 75 -23.091 1.912 8.609 1.00 0.00 O ATOM 1240 CB LEU A 75 -22.024 3.655 6.079 1.00 0.00 C ATOM 1241 CG LEU A 75 -22.216 3.022 4.701 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -23.283 3.768 3.916 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.901 3.006 3.935 1.00 0.00 C ATOM 0 H LEU A 75 -23.152 5.751 7.090 1.00 0.00 H new ATOM 0 HA LEU A 75 -24.029 3.003 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.691 4.684 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.225 3.125 6.598 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.547 1.993 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -23.406 3.304 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -24.228 3.729 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.981 4.808 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.056 2.552 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.541 4.027 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.163 2.427 4.491 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.435 3.968 9.235 1.00 0.00 N ATOM 1256 CA GLY A 76 -22.072 3.528 10.571 1.00 0.00 C ATOM 1257 C GLY A 76 -20.588 3.243 10.703 1.00 0.00 C ATOM 1258 O GLY A 76 -20.171 2.487 11.581 1.00 0.00 O ATOM 0 H GLY A 76 -22.285 4.960 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.358 4.293 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.635 2.629 10.820 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.788 3.848 9.829 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.343 3.652 9.851 1.00 0.00 C ATOM 1264 C ILE A 77 -17.656 4.703 10.718 1.00 0.00 C ATOM 1265 O ILE A 77 -17.817 5.903 10.499 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.745 3.708 8.433 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -18.530 2.799 7.486 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -16.276 3.311 8.460 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -18.352 3.153 6.025 1.00 0.00 C ATOM 0 H ILE A 77 -20.117 4.478 9.097 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.168 2.663 10.274 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.818 4.732 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.217 1.767 7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.589 2.852 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.868 3.356 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.726 3.997 9.104 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.180 2.296 8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.937 2.468 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.692 4.174 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.299 3.072 5.757 1.00 0.00 H new ATOM 1281 N THR A 78 -16.892 4.242 11.703 1.00 0.00 N ATOM 1282 CA THR A 78 -16.180 5.143 12.603 1.00 0.00 C ATOM 1283 C THR A 78 -14.977 5.775 11.901 1.00 0.00 C ATOM 1284 O THR A 78 -14.075 5.071 11.451 1.00 0.00 O ATOM 1285 CB THR A 78 -15.717 4.386 13.848 1.00 0.00 C ATOM 1286 OG1 THR A 78 -15.087 5.266 14.765 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.743 3.269 13.543 1.00 0.00 C ATOM 0 H THR A 78 -16.750 3.251 11.898 1.00 0.00 H new ATOM 0 HA THR A 78 -16.864 5.938 12.900 1.00 0.00 H new ATOM 0 HB THR A 78 -16.621 3.951 14.274 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.799 4.763 15.556 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.455 2.774 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.215 2.547 12.877 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.856 3.681 13.062 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.947 7.118 11.797 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.845 7.833 11.144 1.00 0.00 C ATOM 1297 C PRO A 79 -12.485 7.459 11.725 1.00 0.00 C ATOM 1298 O PRO A 79 -12.371 7.153 12.912 1.00 0.00 O ATOM 1299 CB PRO A 79 -14.156 9.307 11.420 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.628 9.347 11.648 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.980 8.042 12.303 1.00 0.00 C ATOM 0 HA PRO A 79 -13.779 7.591 10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.610 9.670 12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.868 9.937 10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.902 10.189 12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.166 9.469 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.954 8.118 13.390 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.983 7.713 12.030 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.458 7.488 10.882 1.00 0.00 N ATOM 1310 CA VAL A 80 -10.105 7.153 11.312 1.00 0.00 C ATOM 1311 C VAL A 80 -9.106 8.246 10.925 1.00 0.00 C ATOM 1312 O VAL A 80 -7.902 8.097 11.132 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.638 5.813 10.709 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.301 5.395 11.301 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.687 4.732 10.931 1.00 0.00 C ATOM 0 H VAL A 80 -11.537 7.740 9.897 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.137 7.067 12.398 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.507 5.947 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.989 4.447 10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.553 6.158 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.401 5.280 12.380 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.340 3.794 10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.852 4.600 12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.621 5.028 10.453 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.609 9.345 10.366 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.753 10.452 9.956 1.00 0.00 C ATOM 1327 C VAL A 81 -9.489 11.783 10.057 1.00 0.00 C ATOM 1328 O VAL A 81 -10.719 11.823 10.088 1.00 0.00 O ATOM 1329 CB VAL A 81 -8.246 10.267 8.512 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -7.336 9.052 8.418 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -9.415 10.144 7.549 1.00 0.00 C ATOM 0 H VAL A 81 -10.603 9.491 10.188 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.900 10.459 10.634 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.667 11.147 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.988 8.937 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.480 9.187 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.888 8.160 8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.038 10.014 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.023 9.282 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.023 11.047 7.597 1.00 0.00 H new ATOM 1341 N SER A 82 -8.729 12.873 10.107 1.00 0.00 N ATOM 1342 CA SER A 82 -9.310 14.207 10.206 1.00 0.00 C ATOM 1343 C SER A 82 -9.306 14.902 8.847 1.00 0.00 C ATOM 1344 O SER A 82 -8.484 14.593 7.983 1.00 0.00 O ATOM 1345 CB SER A 82 -8.544 15.048 11.226 1.00 0.00 C ATOM 1346 OG SER A 82 -9.137 14.960 12.510 1.00 0.00 O ATOM 0 H SER A 82 -7.709 12.858 10.081 1.00 0.00 H new ATOM 0 HA SER A 82 -10.343 14.103 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.509 14.710 11.276 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.524 16.089 10.902 1.00 0.00 H new ATOM 0 HG SER A 82 -8.627 15.506 13.144 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.226 15.843 8.667 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.328 16.582 7.412 1.00 0.00 C ATOM 1354 C ALA A 83 -9.036 17.336 7.111 1.00 0.00 C ATOM 1355 O ALA A 83 -8.558 17.337 5.978 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.504 17.544 7.462 1.00 0.00 C ATOM 0 H ALA A 83 -10.911 16.113 9.373 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.493 15.864 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.569 18.089 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.426 16.984 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.362 18.250 8.280 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.479 17.978 8.133 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.243 18.740 7.977 1.00 0.00 C ATOM 1364 C GLN A 84 -6.133 17.870 7.393 1.00 0.00 C ATOM 1365 O GLN A 84 -5.369 18.316 6.537 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.800 19.314 9.323 1.00 0.00 C ATOM 1367 CG GLN A 84 -5.677 20.332 9.210 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.202 20.829 10.562 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -6.000 21.259 11.394 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -3.895 20.773 10.787 1.00 0.00 N ATOM 0 H GLN A 84 -8.863 17.986 9.078 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.438 19.559 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.656 19.782 9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.475 18.497 9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.838 19.885 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.018 21.179 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.269 20.409 10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.517 21.094 11.678 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.051 16.629 7.860 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.034 15.700 7.384 1.00 0.00 C ATOM 1381 C ALA A 85 -5.288 15.304 5.934 1.00 0.00 C ATOM 1382 O ALA A 85 -4.350 15.139 5.152 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.994 14.465 8.271 1.00 0.00 C ATOM 0 H ALA A 85 -6.677 16.244 8.567 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.067 16.201 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.230 13.779 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.758 14.759 9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.965 13.971 8.251 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.560 15.151 5.580 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.934 14.771 4.222 1.00 0.00 C ATOM 1391 C VAL A 86 -6.577 15.868 3.225 1.00 0.00 C ATOM 1392 O VAL A 86 -5.933 15.609 2.207 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.442 14.472 4.119 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.773 13.868 2.764 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.883 13.549 5.246 1.00 0.00 C ATOM 0 H VAL A 86 -7.348 15.284 6.213 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.373 13.868 3.981 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.988 15.410 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.842 13.663 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.496 14.568 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.218 12.939 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.951 13.350 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.332 12.611 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.682 14.025 6.206 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.999 17.093 3.521 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.725 18.228 2.648 1.00 0.00 C ATOM 1407 C VAL A 87 -5.229 18.511 2.561 1.00 0.00 C ATOM 1408 O VAL A 87 -4.749 19.057 1.566 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.446 19.499 3.137 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.319 20.617 2.111 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -8.910 19.201 3.432 1.00 0.00 C ATOM 0 H VAL A 87 -7.532 17.325 4.359 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.099 17.961 1.660 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.971 19.831 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.835 21.505 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.266 20.848 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.766 20.299 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.404 20.110 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.398 18.844 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.977 18.436 4.206 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.495 18.142 3.605 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.054 18.362 3.640 1.00 0.00 C ATOM 1423 C ALA A 88 -2.299 17.244 2.924 1.00 0.00 C ATOM 1424 O ALA A 88 -1.110 17.377 2.634 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.576 18.484 5.081 1.00 0.00 C ATOM 0 H ALA A 88 -4.874 17.690 4.437 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.845 19.294 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.498 18.648 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.077 19.325 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.810 17.566 5.621 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.992 16.143 2.641 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.361 15.026 1.961 1.00 0.00 C ATOM 1433 C GLY A 89 -1.124 14.527 2.682 1.00 0.00 C ATOM 1434 O GLY A 89 -0.217 13.972 2.061 1.00 0.00 O ATOM 0 H GLY A 89 -3.976 16.006 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.078 14.210 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.090 15.328 0.949 1.00 0.00 H new ATOM 1438 N SER A 90 -1.087 14.723 3.996 1.00 0.00 N ATOM 1439 CA SER A 90 0.048 14.289 4.803 1.00 0.00 C ATOM 1440 C SER A 90 -0.376 13.232 5.816 1.00 0.00 C ATOM 1441 O SER A 90 0.039 13.266 6.976 1.00 0.00 O ATOM 1442 CB SER A 90 0.675 15.485 5.524 1.00 0.00 C ATOM 1443 OG SER A 90 2.087 15.372 5.568 1.00 0.00 O ATOM 0 H SER A 90 -1.830 15.180 4.525 1.00 0.00 H new ATOM 0 HA SER A 90 0.789 13.848 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.397 16.407 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.281 15.550 6.538 1.00 0.00 H new ATOM 0 HG SER A 90 2.463 16.149 6.032 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.207 12.295 5.374 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.687 11.226 6.242 1.00 0.00 C ATOM 1451 C ASP A 91 -1.841 9.919 5.465 1.00 0.00 C ATOM 1452 O ASP A 91 -2.943 9.384 5.341 1.00 0.00 O ATOM 1453 CB ASP A 91 -3.023 11.620 6.876 1.00 0.00 C ATOM 1454 CG ASP A 91 -3.161 11.109 8.297 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -2.225 11.319 9.097 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -4.205 10.500 8.610 1.00 0.00 O ATOM 0 H ASP A 91 -1.563 12.254 4.419 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.950 11.071 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.118 12.706 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.840 11.227 6.270 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.729 9.385 4.930 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.743 8.134 4.164 1.00 0.00 C ATOM 1463 C PRO A 92 -1.207 6.947 5.001 1.00 0.00 C ATOM 1464 O PRO A 92 -1.990 6.117 4.540 1.00 0.00 O ATOM 1465 CB PRO A 92 0.718 7.950 3.735 1.00 0.00 C ATOM 1466 CG PRO A 92 1.508 8.789 4.682 1.00 0.00 C ATOM 1467 CD PRO A 92 0.626 9.953 5.033 1.00 0.00 C ATOM 0 HA PRO A 92 -1.439 8.182 3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.017 6.903 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.870 8.270 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.780 8.222 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.437 9.127 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.832 10.327 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.767 10.788 4.346 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.720 6.874 6.236 1.00 0.00 N ATOM 1476 CA LEU A 93 -1.085 5.789 7.138 1.00 0.00 C ATOM 1477 C LEU A 93 -2.585 5.795 7.416 1.00 0.00 C ATOM 1478 O LEU A 93 -3.213 4.740 7.507 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.309 5.908 8.453 1.00 0.00 C ATOM 1480 CG LEU A 93 1.025 5.160 8.487 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.166 6.089 8.099 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.266 4.563 9.865 1.00 0.00 C ATOM 0 H LEU A 93 -0.072 7.554 6.634 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.827 4.846 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.122 6.963 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.937 5.537 9.263 1.00 0.00 H new ATOM 0 HG LEU A 93 0.983 4.346 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.108 5.541 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.999 6.469 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.210 6.923 8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.219 4.035 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.288 5.360 10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.463 3.866 10.105 1.00 0.00 H new ATOM 1494 N GLY A 94 -3.152 6.989 7.549 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.572 7.110 7.815 1.00 0.00 C ATOM 1496 C GLY A 94 -5.418 6.832 6.588 1.00 0.00 C ATOM 1497 O GLY A 94 -6.477 6.209 6.683 1.00 0.00 O ATOM 0 H GLY A 94 -2.653 7.875 7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.850 6.417 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.786 8.115 8.180 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.951 7.294 5.432 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.672 7.092 4.181 1.00 0.00 C ATOM 1503 C LEU A 95 -5.820 5.605 3.872 1.00 0.00 C ATOM 1504 O LEU A 95 -6.887 5.149 3.462 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.948 7.794 3.032 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.362 9.249 2.798 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.150 10.103 2.458 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.404 9.334 1.692 1.00 0.00 C ATOM 0 H LEU A 95 -4.077 7.811 5.336 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.667 7.522 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.876 7.764 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.122 7.231 2.115 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.803 9.633 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.465 11.134 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.437 10.067 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.678 9.721 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.687 10.375 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.988 8.931 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.284 8.757 1.976 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.742 4.854 4.074 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.754 3.419 3.820 1.00 0.00 C ATOM 1522 C ILE A 96 -5.657 2.693 4.812 1.00 0.00 C ATOM 1523 O ILE A 96 -6.459 1.842 4.430 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.335 2.822 3.897 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.379 3.603 2.993 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.354 1.350 3.509 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.932 3.518 3.425 1.00 0.00 C ATOM 0 H ILE A 96 -3.850 5.215 4.412 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.142 3.279 2.811 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.981 2.901 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.468 3.227 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.683 4.650 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.344 0.945 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.006 0.803 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.726 1.247 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.313 4.095 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.829 3.921 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.610 2.477 3.416 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.522 3.039 6.089 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.327 2.424 7.136 1.00 0.00 C ATOM 1541 C ALA A 97 -7.809 2.707 6.925 1.00 0.00 C ATOM 1542 O ALA A 97 -8.644 1.809 7.027 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.882 2.920 8.503 1.00 0.00 C ATOM 0 H ALA A 97 -4.862 3.742 6.422 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.180 1.345 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.492 2.452 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.835 2.661 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.000 4.002 8.553 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.130 3.962 6.628 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.513 4.365 6.400 1.00 0.00 C ATOM 1551 C TYR A 98 -10.092 3.656 5.181 1.00 0.00 C ATOM 1552 O TYR A 98 -11.200 3.124 5.228 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.600 5.881 6.214 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.016 6.410 6.213 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.861 6.184 5.134 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.507 7.138 7.290 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -13.156 6.666 5.129 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.801 7.624 7.293 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.621 7.385 6.210 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.909 7.868 6.209 1.00 0.00 O ATOM 0 H TYR A 98 -7.451 4.718 6.540 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.098 4.080 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.039 6.369 7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.119 6.152 5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.500 5.622 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.867 7.327 8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.801 6.481 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.168 8.187 8.138 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.358 7.601 5.380 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.332 3.653 4.090 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.768 3.009 2.856 1.00 0.00 C ATOM 1572 C LEU A 99 -9.978 1.513 3.071 1.00 0.00 C ATOM 1573 O LEU A 99 -10.848 0.903 2.451 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.740 3.237 1.747 1.00 0.00 C ATOM 1575 CG LEU A 99 -9.323 3.325 0.334 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.397 4.120 -0.575 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.560 1.933 -0.230 1.00 0.00 C ATOM 0 H LEU A 99 -8.412 4.089 4.036 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.718 3.453 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.198 4.159 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.012 2.426 1.774 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.281 3.843 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.826 4.173 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.275 5.128 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.425 3.629 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.975 2.013 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.615 1.391 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.260 1.396 0.410 1.00 0.00 H new ATOM 1589 N SER A 100 -9.173 0.928 3.954 1.00 0.00 N ATOM 1590 CA SER A 100 -9.272 -0.496 4.252 1.00 0.00 C ATOM 1591 C SER A 100 -10.651 -0.840 4.804 1.00 0.00 C ATOM 1592 O SER A 100 -11.254 -1.841 4.415 1.00 0.00 O ATOM 1593 CB SER A 100 -8.190 -0.904 5.253 1.00 0.00 C ATOM 1594 OG SER A 100 -7.634 -2.165 4.919 1.00 0.00 O ATOM 0 H SER A 100 -8.446 1.418 4.475 1.00 0.00 H new ATOM 0 HA SER A 100 -9.125 -1.049 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.403 -0.150 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.615 -0.945 6.256 1.00 0.00 H new ATOM 0 HG SER A 100 -6.944 -2.402 5.573 1.00 0.00 H new ATOM 1600 N HIS A 101 -11.146 -0.005 5.711 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.455 -0.222 6.314 1.00 0.00 C ATOM 1602 C HIS A 101 -13.564 -0.061 5.278 1.00 0.00 C ATOM 1603 O HIS A 101 -14.472 -0.888 5.192 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.674 0.755 7.473 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.589 0.109 8.821 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.005 -1.183 9.066 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.134 0.585 10.005 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.810 -1.474 10.340 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -12.281 -0.418 10.931 1.00 0.00 N ATOM 0 H HIS A 101 -10.661 0.828 6.044 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.488 -1.242 6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.932 1.551 7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.652 1.223 7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.731 1.570 10.187 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.043 -2.415 10.817 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.023 -0.357 11.916 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.481 1.007 4.492 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.475 1.274 3.460 1.00 0.00 C ATOM 1620 C PHE A 102 -14.496 0.151 2.428 1.00 0.00 C ATOM 1621 O PHE A 102 -15.558 -0.246 1.949 1.00 0.00 O ATOM 1622 CB PHE A 102 -14.185 2.614 2.776 1.00 0.00 C ATOM 1623 CG PHE A 102 -15.253 3.646 2.999 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.305 4.366 4.183 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -16.205 3.897 2.023 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.286 5.317 4.388 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -17.189 4.848 2.224 1.00 0.00 C ATOM 1628 CZ PHE A 102 -17.229 5.557 3.409 1.00 0.00 C ATOM 0 H PHE A 102 -12.736 1.701 4.550 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.455 1.325 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.235 3.002 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.069 2.448 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.571 4.181 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -16.178 3.344 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.315 5.872 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.925 5.036 1.456 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.998 6.299 3.569 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.316 -0.357 2.092 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.197 -1.436 1.118 1.00 0.00 C ATOM 1640 C HIS A 103 -13.788 -2.731 1.667 1.00 0.00 C ATOM 1641 O HIS A 103 -14.473 -3.463 0.953 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.730 -1.652 0.742 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.542 -2.547 -0.444 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.305 -2.836 -0.979 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -12.443 -3.221 -1.198 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.454 -3.647 -2.013 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.741 -3.896 -2.166 1.00 0.00 N ATOM 0 H HIS A 103 -12.428 -0.039 2.480 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.756 -1.151 0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.271 -0.686 0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.203 -2.078 1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.414 -2.480 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.515 -3.226 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.657 -4.039 -2.628 1.00 0.00 H new ATOM 1656 N SER A 104 -13.520 -3.005 2.940 1.00 0.00 N ATOM 1657 CA SER A 104 -14.026 -4.212 3.585 1.00 0.00 C ATOM 1658 C SER A 104 -15.550 -4.262 3.525 1.00 0.00 C ATOM 1659 O SER A 104 -16.134 -5.304 3.230 1.00 0.00 O ATOM 1660 CB SER A 104 -13.558 -4.272 5.039 1.00 0.00 C ATOM 1661 OG SER A 104 -13.302 -5.608 5.439 1.00 0.00 O ATOM 0 H SER A 104 -12.956 -2.408 3.545 1.00 0.00 H new ATOM 0 HA SER A 104 -13.631 -5.075 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.654 -3.674 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.318 -3.834 5.687 1.00 0.00 H new ATOM 0 HG SER A 104 -13.003 -5.618 6.372 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.185 -3.130 3.804 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.641 -3.045 3.779 1.00 0.00 C ATOM 1669 C ALA A 105 -18.162 -3.094 2.348 1.00 0.00 C ATOM 1670 O ALA A 105 -19.255 -3.602 2.091 1.00 0.00 O ATOM 1671 CB ALA A 105 -18.108 -1.775 4.472 1.00 0.00 C ATOM 0 H ALA A 105 -15.715 -2.259 4.050 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.043 -3.904 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.197 -1.725 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.770 -1.781 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.693 -0.907 3.960 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.374 -2.562 1.420 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.753 -2.546 0.011 1.00 0.00 C ATOM 1679 C PHE A 106 -17.621 -3.936 -0.600 1.00 0.00 C ATOM 1680 O PHE A 106 -18.363 -4.298 -1.513 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.878 -1.553 -0.759 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.303 -0.117 -0.608 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.860 0.341 0.577 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.138 0.777 -1.654 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.244 1.662 0.713 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.521 2.098 -1.523 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.073 2.541 -0.338 1.00 0.00 C ATOM 0 H PHE A 106 -16.469 -2.136 1.618 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.795 -2.234 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.847 -1.654 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.892 -1.816 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.995 -0.342 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.705 0.437 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.677 2.006 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.389 2.783 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.371 3.574 -0.233 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.668 -4.712 -0.091 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.432 -6.063 -0.586 1.00 0.00 C ATOM 1699 C LYS A 107 -17.296 -7.077 0.158 1.00 0.00 C ATOM 1700 O LYS A 107 -17.708 -8.090 -0.407 1.00 0.00 O ATOM 1701 CB LYS A 107 -14.954 -6.431 -0.438 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.435 -7.328 -1.549 1.00 0.00 C ATOM 1703 CD LYS A 107 -12.922 -7.247 -1.670 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.386 -8.272 -2.656 1.00 0.00 C ATOM 1705 NZ LYS A 107 -10.898 -8.311 -2.663 1.00 0.00 N ATOM 0 H LYS A 107 -16.046 -4.427 0.665 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.704 -6.088 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.361 -5.516 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.807 -6.931 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.731 -8.359 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.893 -7.039 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.635 -6.246 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.469 -7.410 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.774 -9.258 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.748 -8.036 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.573 -9.022 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.528 -7.377 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.553 -8.561 -1.714 1.00 0.00 H new ATOM 1719 N SER A 108 -17.567 -6.797 1.429 1.00 0.00 N ATOM 1720 CA SER A 108 -18.381 -7.686 2.252 1.00 0.00 C ATOM 1721 C SER A 108 -19.757 -7.898 1.630 1.00 0.00 C ATOM 1722 O SER A 108 -20.328 -8.986 1.723 1.00 0.00 O ATOM 1723 CB SER A 108 -18.528 -7.115 3.664 1.00 0.00 C ATOM 1724 OG SER A 108 -19.108 -8.065 4.541 1.00 0.00 O ATOM 0 H SER A 108 -17.235 -5.962 1.912 1.00 0.00 H new ATOM 0 HA SER A 108 -17.877 -8.651 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 108 -17.550 -6.816 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 108 -19.146 -6.218 3.634 1.00 0.00 H new ATOM 0 HG SER A 108 -19.190 -7.676 5.437 1.00 0.00 H new ATOM 1730 N MET A 109 -20.286 -6.855 1.000 1.00 0.00 N ATOM 1731 CA MET A 109 -21.596 -6.930 0.363 1.00 0.00 C ATOM 1732 C MET A 109 -21.463 -7.235 -1.125 1.00 0.00 C ATOM 1733 O MET A 109 -20.364 -7.018 -1.675 1.00 0.00 O ATOM 1734 CB MET A 109 -22.358 -5.618 0.561 1.00 0.00 C ATOM 1735 CG MET A 109 -22.707 -5.330 2.014 1.00 0.00 C ATOM 1736 SD MET A 109 -24.399 -4.743 2.221 1.00 0.00 S ATOM 1737 CE MET A 109 -24.463 -4.514 3.996 1.00 0.00 C ATOM 1738 OXT MET A 109 -22.458 -7.688 -1.726 1.00 0.00 O ATOM 0 H MET A 109 -19.828 -5.947 0.917 1.00 0.00 H new ATOM 0 HA MET A 109 -22.154 -7.741 0.832 1.00 0.00 H new ATOM 0 HB2 MET A 109 -21.758 -4.796 0.170 1.00 0.00 H new ATOM 0 HB3 MET A 109 -23.276 -5.649 -0.025 1.00 0.00 H new ATOM 0 HG2 MET A 109 -22.567 -6.236 2.603 1.00 0.00 H new ATOM 0 HG3 MET A 109 -22.017 -4.584 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 109 -25.451 -4.152 4.281 1.00 0.00 H new ATOM 0 HE2 MET A 109 -24.268 -5.464 4.493 1.00 0.00 H new ATOM 0 HE3 MET A 109 -23.709 -3.786 4.296 1.00 0.00 H new TER 1748 MET A 109