USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 43:sc= -1.11! USER MOD Set 1.2: A 66 ASN : amide:sc= 0.635 X(o=-0.48,f=-0.52) USER MOD Set 2.1: A 17 THR OG1 : rot -160:sc= -1.1 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.0462 X(o=-1.1,f=-1.2) USER MOD Single : A 1 GLU N :NH3+ 146:sc= -1.62! (180deg=-3.77!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0764 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -8.65! (180deg=-12.1!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=-0.0037) USER MOD Single : A 12 THR OG1 : rot 163:sc= -12! USER MOD Single : A 14 ASN : amide:sc= 0.177 X(o=0.18,f=-0.13) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00712 X(o=-0.0071,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 145:sc= -1.15! USER MOD Single : A 31 ASN : amide:sc= -2.35 X(o=-2.4,f=-1.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.51! C(o=-2.5!,f=-1.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.719 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 32:sc= 0.0289 USER MOD Single : A 70 HIS : no HD1:sc= -0.082 X(o=-0.082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.091 -6.828 -1.864 1.00 0.00 N ATOM 2 CA GLU A 1 12.897 -6.381 -1.092 1.00 0.00 C ATOM 3 C GLU A 1 12.701 -7.296 0.118 1.00 0.00 C ATOM 4 O GLU A 1 13.529 -8.132 0.422 1.00 0.00 O ATOM 5 CB GLU A 1 11.654 -6.441 -1.989 1.00 0.00 C ATOM 6 CG GLU A 1 11.162 -7.888 -2.107 1.00 0.00 C ATOM 7 CD GLU A 1 12.290 -8.769 -2.649 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.477 -8.782 -3.855 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.947 -9.412 -1.850 1.00 0.00 O ATOM 0 H1 GLU A 1 13.932 -6.660 -2.878 1.00 0.00 H new ATOM 0 H2 GLU A 1 14.926 -6.293 -1.552 1.00 0.00 H new ATOM 0 H3 GLU A 1 14.249 -7.843 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 1 13.047 -5.357 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.866 -5.813 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 1 11.889 -6.046 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.837 -8.253 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.298 -7.937 -2.770 1.00 0.00 H new ATOM 18 N THR A 2 11.602 -7.150 0.799 1.00 0.00 N ATOM 19 CA THR A 2 11.332 -8.011 1.980 1.00 0.00 C ATOM 20 C THR A 2 9.835 -8.300 2.042 1.00 0.00 C ATOM 21 O THR A 2 9.131 -7.783 2.876 1.00 0.00 O ATOM 22 CB THR A 2 11.771 -7.288 3.257 1.00 0.00 C ATOM 23 OG1 THR A 2 12.883 -6.453 2.968 1.00 0.00 O ATOM 24 CG2 THR A 2 12.167 -8.314 4.321 1.00 0.00 C ATOM 0 H THR A 2 10.875 -6.467 0.587 1.00 0.00 H new ATOM 0 HA THR A 2 11.888 -8.945 1.894 1.00 0.00 H new ATOM 0 HB THR A 2 10.946 -6.682 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.164 -5.989 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.479 -7.796 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.314 -8.955 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.991 -8.923 3.950 1.00 0.00 H new ATOM 32 N VAL A 3 9.340 -9.117 1.156 1.00 0.00 N ATOM 33 CA VAL A 3 7.886 -9.431 1.160 1.00 0.00 C ATOM 34 C VAL A 3 7.408 -9.667 2.602 1.00 0.00 C ATOM 35 O VAL A 3 6.259 -9.444 2.929 1.00 0.00 O ATOM 36 CB VAL A 3 7.651 -10.680 0.305 1.00 0.00 C ATOM 37 CG1 VAL A 3 8.038 -11.931 1.096 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.177 -10.761 -0.096 1.00 0.00 C ATOM 0 H VAL A 3 9.882 -9.582 0.427 1.00 0.00 H new ATOM 0 HA VAL A 3 7.321 -8.596 0.745 1.00 0.00 H new ATOM 0 HB VAL A 3 8.266 -10.619 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.869 -12.816 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.091 -11.876 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.430 -11.993 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.014 -11.651 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.559 -10.815 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.907 -9.875 -0.670 1.00 0.00 H new ATOM 48 N GLU A 4 8.279 -10.113 3.467 1.00 0.00 N ATOM 49 CA GLU A 4 7.869 -10.360 4.882 1.00 0.00 C ATOM 50 C GLU A 4 7.378 -9.057 5.519 1.00 0.00 C ATOM 51 O GLU A 4 6.337 -9.020 6.142 1.00 0.00 O ATOM 52 CB GLU A 4 9.066 -10.891 5.674 1.00 0.00 C ATOM 53 CG GLU A 4 9.446 -12.280 5.156 1.00 0.00 C ATOM 54 CD GLU A 4 8.572 -13.335 5.838 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.549 -13.358 7.058 1.00 0.00 O ATOM 56 OE2 GLU A 4 7.942 -14.102 5.129 1.00 0.00 O ATOM 0 H GLU A 4 9.256 -10.317 3.256 1.00 0.00 H new ATOM 0 HA GLU A 4 7.063 -11.093 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.912 -10.211 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.820 -10.942 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.313 -12.326 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.499 -12.479 5.357 1.00 0.00 H new ATOM 63 N SER A 5 8.121 -7.995 5.381 1.00 0.00 N ATOM 64 CA SER A 5 7.694 -6.706 5.989 1.00 0.00 C ATOM 65 C SER A 5 6.742 -5.969 5.046 1.00 0.00 C ATOM 66 O SER A 5 5.713 -5.483 5.458 1.00 0.00 O ATOM 67 CB SER A 5 8.922 -5.836 6.258 1.00 0.00 C ATOM 68 OG SER A 5 9.732 -6.461 7.245 1.00 0.00 O ATOM 0 H SER A 5 9.005 -7.964 4.873 1.00 0.00 H new ATOM 0 HA SER A 5 7.177 -6.910 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.491 -5.696 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.614 -4.847 6.596 1.00 0.00 H new ATOM 0 HG SER A 5 10.521 -5.907 7.419 1.00 0.00 H new ATOM 74 N CYS A 6 7.070 -5.871 3.787 1.00 0.00 N ATOM 75 CA CYS A 6 6.158 -5.152 2.853 1.00 0.00 C ATOM 76 C CYS A 6 4.756 -5.760 2.940 1.00 0.00 C ATOM 77 O CYS A 6 3.782 -5.152 2.546 1.00 0.00 O ATOM 78 CB CYS A 6 6.674 -5.263 1.419 1.00 0.00 C ATOM 79 SG CYS A 6 8.381 -4.670 1.336 1.00 0.00 S ATOM 0 H CYS A 6 7.919 -6.252 3.368 1.00 0.00 H new ATOM 0 HA CYS A 6 6.121 -4.100 3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.622 -6.299 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.043 -4.679 0.749 1.00 0.00 H new ATOM 84 N LEU A 7 4.634 -6.952 3.454 1.00 0.00 N ATOM 85 CA LEU A 7 3.283 -7.569 3.563 1.00 0.00 C ATOM 86 C LEU A 7 2.868 -7.592 5.032 1.00 0.00 C ATOM 87 O LEU A 7 1.710 -7.433 5.368 1.00 0.00 O ATOM 88 CB LEU A 7 3.323 -8.982 3.001 1.00 0.00 C ATOM 89 CG LEU A 7 3.798 -8.941 1.544 1.00 0.00 C ATOM 90 CD1 LEU A 7 3.443 -10.259 0.858 1.00 0.00 C ATOM 91 CD2 LEU A 7 3.114 -7.785 0.805 1.00 0.00 C ATOM 0 H LEU A 7 5.405 -7.522 3.801 1.00 0.00 H new ATOM 0 HA LEU A 7 2.558 -6.988 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.994 -9.602 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.334 -9.436 3.059 1.00 0.00 H new ATOM 0 HG LEU A 7 4.878 -8.793 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.780 -10.232 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.932 -11.083 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.363 -10.404 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.456 -7.762 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.034 -7.928 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.365 -6.843 1.292 1.00 0.00 H new ATOM 103 N ALA A 8 3.820 -7.728 5.910 1.00 0.00 N ATOM 104 CA ALA A 8 3.512 -7.693 7.364 1.00 0.00 C ATOM 105 C ALA A 8 3.603 -6.228 7.803 1.00 0.00 C ATOM 106 O ALA A 8 3.598 -5.901 8.973 1.00 0.00 O ATOM 107 CB ALA A 8 4.536 -8.533 8.132 1.00 0.00 C ATOM 0 H ALA A 8 4.805 -7.863 5.681 1.00 0.00 H new ATOM 0 HA ALA A 8 2.521 -8.100 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.305 -8.504 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.498 -9.564 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.535 -8.130 7.966 1.00 0.00 H new ATOM 113 N LYS A 9 3.693 -5.352 6.835 1.00 0.00 N ATOM 114 CA LYS A 9 3.796 -3.895 7.079 1.00 0.00 C ATOM 115 C LYS A 9 2.627 -3.429 7.956 1.00 0.00 C ATOM 116 O LYS A 9 1.873 -4.247 8.445 1.00 0.00 O ATOM 117 CB LYS A 9 3.741 -3.236 5.695 1.00 0.00 C ATOM 118 CG LYS A 9 5.115 -2.628 5.373 1.00 0.00 C ATOM 119 CD LYS A 9 5.021 -1.641 4.201 1.00 0.00 C ATOM 120 CE LYS A 9 4.095 -2.190 3.120 1.00 0.00 C ATOM 121 NZ LYS A 9 2.680 -2.043 3.554 1.00 0.00 N ATOM 0 H LYS A 9 3.699 -5.606 5.847 1.00 0.00 H new ATOM 0 HA LYS A 9 4.714 -3.630 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.469 -3.972 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.974 -2.462 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.505 -2.117 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.819 -3.423 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.648 -0.680 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.013 -1.465 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.256 -1.656 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.321 -3.240 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.070 -1.937 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.391 -2.887 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.588 -1.202 4.159 1.00 0.00 H new ATOM 135 N PRO A 10 2.486 -2.130 8.123 1.00 0.00 N ATOM 136 CA PRO A 10 1.390 -1.569 8.927 1.00 0.00 C ATOM 137 C PRO A 10 0.087 -1.662 8.126 1.00 0.00 C ATOM 138 O PRO A 10 -0.974 -1.292 8.586 1.00 0.00 O ATOM 139 CB PRO A 10 1.818 -0.121 9.180 1.00 0.00 C ATOM 140 CG PRO A 10 2.840 0.230 8.076 1.00 0.00 C ATOM 141 CD PRO A 10 3.381 -1.107 7.531 1.00 0.00 C ATOM 0 HA PRO A 10 1.209 -2.092 9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.960 0.550 9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.263 -0.015 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.368 0.809 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.649 0.840 8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.351 -1.134 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.418 -1.267 7.826 1.00 0.00 H new ATOM 149 N HIS A 11 0.182 -2.190 6.933 1.00 0.00 N ATOM 150 CA HIS A 11 -1.004 -2.378 6.063 1.00 0.00 C ATOM 151 C HIS A 11 -1.526 -1.061 5.505 1.00 0.00 C ATOM 152 O HIS A 11 -1.133 0.022 5.889 1.00 0.00 O ATOM 153 CB HIS A 11 -2.126 -3.089 6.823 1.00 0.00 C ATOM 154 CG HIS A 11 -2.046 -4.570 6.547 1.00 0.00 C ATOM 155 ND1 HIS A 11 -3.179 -5.346 6.359 1.00 0.00 N ATOM 156 CD2 HIS A 11 -0.978 -5.430 6.419 1.00 0.00 C ATOM 157 CE1 HIS A 11 -2.774 -6.610 6.133 1.00 0.00 C ATOM 158 NE2 HIS A 11 -1.443 -6.716 6.158 1.00 0.00 N ATOM 0 H HIS A 11 1.060 -2.505 6.520 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.681 -2.995 5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.034 -2.900 7.893 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.096 -2.700 6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.061 -5.150 6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.444 -7.438 5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.886 -7.559 6.016 1.00 0.00 H new ATOM 166 N THR A 12 -2.417 -1.210 4.580 1.00 0.00 N ATOM 167 CA THR A 12 -3.075 -0.089 3.870 1.00 0.00 C ATOM 168 C THR A 12 -2.906 1.270 4.560 1.00 0.00 C ATOM 169 O THR A 12 -2.485 2.220 3.930 1.00 0.00 O ATOM 170 CB THR A 12 -4.550 -0.474 3.724 1.00 0.00 C ATOM 171 OG1 THR A 12 -5.068 -0.001 2.502 1.00 0.00 O ATOM 172 CG2 THR A 12 -5.376 0.077 4.888 1.00 0.00 C ATOM 0 H THR A 12 -2.737 -2.127 4.267 1.00 0.00 H new ATOM 0 HA THR A 12 -2.599 0.053 2.900 1.00 0.00 H new ATOM 0 HB THR A 12 -4.614 -1.562 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.902 -0.472 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.420 -0.210 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.999 -0.330 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.298 1.164 4.907 1.00 0.00 H new ATOM 180 N GLU A 13 -3.240 1.406 5.811 1.00 0.00 N ATOM 181 CA GLU A 13 -3.094 2.750 6.445 1.00 0.00 C ATOM 182 C GLU A 13 -1.740 3.351 6.060 1.00 0.00 C ATOM 183 O GLU A 13 -0.714 3.042 6.632 1.00 0.00 O ATOM 184 CB GLU A 13 -3.201 2.645 7.968 1.00 0.00 C ATOM 185 CG GLU A 13 -3.347 4.051 8.560 1.00 0.00 C ATOM 186 CD GLU A 13 -4.051 3.965 9.916 1.00 0.00 C ATOM 187 OE1 GLU A 13 -3.613 3.178 10.739 1.00 0.00 O ATOM 188 OE2 GLU A 13 -5.015 4.689 10.108 1.00 0.00 O ATOM 0 H GLU A 13 -3.600 0.666 6.413 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.897 3.395 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.058 2.031 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.315 2.156 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.366 4.511 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.918 4.685 7.882 1.00 0.00 H new ATOM 195 N ASN A 14 -1.747 4.201 5.073 1.00 0.00 N ATOM 196 CA ASN A 14 -0.492 4.842 4.597 1.00 0.00 C ATOM 197 C ASN A 14 -0.809 5.564 3.293 1.00 0.00 C ATOM 198 O ASN A 14 -1.907 6.050 3.099 1.00 0.00 O ATOM 199 CB ASN A 14 0.570 3.771 4.330 1.00 0.00 C ATOM 200 CG ASN A 14 1.903 4.206 4.941 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.803 4.616 4.235 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.070 4.134 6.233 1.00 0.00 N ATOM 0 H ASN A 14 -2.586 4.483 4.567 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.113 5.536 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.256 2.819 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.683 3.617 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.955 4.422 6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.315 3.790 6.826 1.00 0.00 H new ATOM 209 N SER A 15 0.124 5.632 2.389 1.00 0.00 N ATOM 210 CA SER A 15 -0.168 6.314 1.109 1.00 0.00 C ATOM 211 C SER A 15 1.074 6.352 0.236 1.00 0.00 C ATOM 212 O SER A 15 2.088 5.754 0.539 1.00 0.00 O ATOM 213 CB SER A 15 -0.627 7.739 1.396 1.00 0.00 C ATOM 214 OG SER A 15 0.309 8.370 2.258 1.00 0.00 O ATOM 0 H SER A 15 1.065 5.249 2.482 1.00 0.00 H new ATOM 0 HA SER A 15 -0.951 5.767 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.716 8.299 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.614 7.729 1.858 1.00 0.00 H new ATOM 0 HG SER A 15 0.017 9.287 2.443 1.00 0.00 H new ATOM 220 N PHE A 16 0.995 7.056 -0.851 1.00 0.00 N ATOM 221 CA PHE A 16 2.158 7.150 -1.762 1.00 0.00 C ATOM 222 C PHE A 16 1.824 8.154 -2.867 1.00 0.00 C ATOM 223 O PHE A 16 0.700 8.225 -3.324 1.00 0.00 O ATOM 224 CB PHE A 16 2.436 5.774 -2.376 1.00 0.00 C ATOM 225 CG PHE A 16 3.347 5.926 -3.571 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.697 6.242 -3.384 1.00 0.00 C ATOM 227 CD2 PHE A 16 2.839 5.757 -4.865 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.541 6.388 -4.492 1.00 0.00 C ATOM 229 CE2 PHE A 16 3.683 5.903 -5.971 1.00 0.00 C ATOM 230 CZ PHE A 16 5.034 6.218 -5.785 1.00 0.00 C ATOM 0 H PHE A 16 0.168 7.574 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 16 3.043 7.478 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.897 5.121 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.500 5.303 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.088 6.373 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.797 5.514 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.583 6.632 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.292 5.773 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.685 6.330 -6.639 1.00 0.00 H new ATOM 240 N THR A 17 2.774 8.929 -3.308 1.00 0.00 N ATOM 241 CA THR A 17 2.464 9.909 -4.387 1.00 0.00 C ATOM 242 C THR A 17 2.928 9.348 -5.731 1.00 0.00 C ATOM 243 O THR A 17 3.746 8.453 -5.789 1.00 0.00 O ATOM 244 CB THR A 17 3.140 11.255 -4.105 1.00 0.00 C ATOM 245 OG1 THR A 17 3.538 11.849 -5.334 1.00 0.00 O ATOM 246 CG2 THR A 17 4.367 11.054 -3.216 1.00 0.00 C ATOM 0 H THR A 17 3.738 8.928 -2.975 1.00 0.00 H new ATOM 0 HA THR A 17 1.387 10.074 -4.420 1.00 0.00 H new ATOM 0 HB THR A 17 2.434 11.907 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.229 12.523 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.838 12.018 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.062 10.604 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.077 10.397 -3.719 1.00 0.00 H new ATOM 254 N ASN A 18 2.386 9.843 -6.811 1.00 0.00 N ATOM 255 CA ASN A 18 2.769 9.307 -8.148 1.00 0.00 C ATOM 256 C ASN A 18 2.058 7.962 -8.347 1.00 0.00 C ATOM 257 O ASN A 18 2.267 7.269 -9.323 1.00 0.00 O ATOM 258 CB ASN A 18 4.285 9.105 -8.214 1.00 0.00 C ATOM 259 CG ASN A 18 4.817 9.664 -9.536 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.206 9.489 -10.571 1.00 0.00 O ATOM 261 ND2 ASN A 18 5.937 10.333 -9.544 1.00 0.00 N ATOM 0 H ASN A 18 1.696 10.594 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 18 2.477 10.008 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.766 9.607 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.525 8.045 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.300 10.709 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.450 10.480 -8.674 1.00 0.00 H new ATOM 268 N VAL A 19 1.214 7.599 -7.415 1.00 0.00 N ATOM 269 CA VAL A 19 0.469 6.312 -7.505 1.00 0.00 C ATOM 270 C VAL A 19 0.029 6.043 -8.944 1.00 0.00 C ATOM 271 O VAL A 19 -0.038 6.935 -9.767 1.00 0.00 O ATOM 272 CB VAL A 19 -0.771 6.404 -6.613 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.633 5.152 -6.788 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.339 6.525 -5.151 1.00 0.00 C ATOM 0 H VAL A 19 1.008 8.151 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 19 1.119 5.499 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.352 7.281 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.514 5.225 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.945 5.068 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.055 4.271 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.222 6.591 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.246 5.649 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.267 7.422 -5.024 1.00 0.00 H new ATOM 284 N TRP A 20 -0.289 4.814 -9.240 1.00 0.00 N ATOM 285 CA TRP A 20 -0.749 4.462 -10.610 1.00 0.00 C ATOM 286 C TRP A 20 -1.925 3.484 -10.490 1.00 0.00 C ATOM 287 O TRP A 20 -2.382 3.177 -9.407 1.00 0.00 O ATOM 288 CB TRP A 20 0.418 3.825 -11.398 1.00 0.00 C ATOM 289 CG TRP A 20 0.353 2.325 -11.330 1.00 0.00 C ATOM 290 CD1 TRP A 20 -0.298 1.537 -12.217 1.00 0.00 C ATOM 291 CD2 TRP A 20 0.944 1.429 -10.346 1.00 0.00 C ATOM 292 NE1 TRP A 20 -0.166 0.218 -11.827 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.601 0.098 -10.685 1.00 0.00 C ATOM 294 CE3 TRP A 20 1.734 1.638 -9.200 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.025 -0.985 -9.916 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.165 0.548 -8.425 1.00 0.00 C ATOM 297 CH2 TRP A 20 1.811 -0.760 -8.783 1.00 0.00 C ATOM 0 H TRP A 20 -0.249 4.033 -8.585 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.075 5.353 -11.146 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.379 4.148 -12.438 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.368 4.171 -10.992 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.834 1.883 -13.088 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.584 -0.570 -12.322 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.011 2.642 -8.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.748 -1.991 -10.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.772 0.719 -7.549 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.146 -1.594 -8.183 1.00 0.00 H new ATOM 308 N LYS A 21 -2.397 2.974 -11.590 1.00 0.00 N ATOM 309 CA LYS A 21 -3.515 1.995 -11.540 1.00 0.00 C ATOM 310 C LYS A 21 -3.329 0.987 -12.669 1.00 0.00 C ATOM 311 O LYS A 21 -3.366 1.332 -13.833 1.00 0.00 O ATOM 312 CB LYS A 21 -4.857 2.707 -11.707 1.00 0.00 C ATOM 313 CG LYS A 21 -5.978 1.713 -11.402 1.00 0.00 C ATOM 314 CD LYS A 21 -7.196 2.026 -12.273 1.00 0.00 C ATOM 315 CE LYS A 21 -6.804 1.930 -13.748 1.00 0.00 C ATOM 316 NZ LYS A 21 -7.091 3.227 -14.425 1.00 0.00 N ATOM 0 H LYS A 21 -2.055 3.194 -12.526 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.510 1.489 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.917 3.563 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.958 3.091 -12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.636 0.695 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.249 1.768 -10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.003 1.327 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.570 3.025 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.745 1.687 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.358 1.125 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.824 3.161 -15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.106 3.441 -14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.543 3.985 -13.970 1.00 0.00 H new ATOM 330 N ASP A 22 -3.109 -0.254 -12.339 1.00 0.00 N ATOM 331 CA ASP A 22 -2.900 -1.270 -13.396 1.00 0.00 C ATOM 332 C ASP A 22 -4.224 -1.939 -13.757 1.00 0.00 C ATOM 333 O ASP A 22 -4.923 -2.468 -12.907 1.00 0.00 O ATOM 334 CB ASP A 22 -1.924 -2.331 -12.885 1.00 0.00 C ATOM 335 CG ASP A 22 -0.724 -2.424 -13.830 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.545 -1.511 -14.619 1.00 0.00 O ATOM 337 OD2 ASP A 22 -0.005 -3.406 -13.748 1.00 0.00 O ATOM 0 H ASP A 22 -3.066 -0.605 -11.382 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.495 -0.783 -14.283 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.589 -2.077 -11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.424 -3.298 -12.820 1.00 0.00 H new ATOM 342 N ASP A 23 -4.553 -1.947 -15.020 1.00 0.00 N ATOM 343 CA ASP A 23 -5.799 -2.619 -15.462 1.00 0.00 C ATOM 344 C ASP A 23 -5.506 -4.118 -15.514 1.00 0.00 C ATOM 345 O ASP A 23 -6.395 -4.946 -15.505 1.00 0.00 O ATOM 346 CB ASP A 23 -6.196 -2.118 -16.853 1.00 0.00 C ATOM 347 CG ASP A 23 -7.713 -2.224 -17.022 1.00 0.00 C ATOM 348 OD1 ASP A 23 -8.328 -2.931 -16.242 1.00 0.00 O ATOM 349 OD2 ASP A 23 -8.234 -1.593 -17.927 1.00 0.00 O ATOM 0 H ASP A 23 -4.007 -1.514 -15.765 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.620 -2.406 -14.777 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.877 -1.084 -16.983 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.692 -2.706 -17.620 1.00 0.00 H new ATOM 354 N LYS A 24 -4.243 -4.463 -15.544 1.00 0.00 N ATOM 355 CA LYS A 24 -3.842 -5.892 -15.567 1.00 0.00 C ATOM 356 C LYS A 24 -3.981 -6.438 -14.153 1.00 0.00 C ATOM 357 O LYS A 24 -4.665 -7.412 -13.906 1.00 0.00 O ATOM 358 CB LYS A 24 -2.380 -5.987 -15.996 1.00 0.00 C ATOM 359 CG LYS A 24 -2.000 -7.451 -16.226 1.00 0.00 C ATOM 360 CD LYS A 24 -0.982 -7.886 -15.169 1.00 0.00 C ATOM 361 CE LYS A 24 0.317 -8.313 -15.857 1.00 0.00 C ATOM 362 NZ LYS A 24 1.445 -8.230 -14.884 1.00 0.00 N ATOM 0 H LYS A 24 -3.467 -3.802 -15.554 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.465 -6.458 -16.260 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.222 -5.413 -16.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.738 -5.551 -15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.888 -8.081 -16.172 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.580 -7.576 -17.224 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.787 -7.066 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.383 -8.711 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.223 -9.331 -16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.515 -7.671 -16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.328 -8.520 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.538 -7.252 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.256 -8.860 -14.079 1.00 0.00 H new ATOM 376 N THR A 25 -3.340 -5.794 -13.220 1.00 0.00 N ATOM 377 CA THR A 25 -3.431 -6.240 -11.809 1.00 0.00 C ATOM 378 C THR A 25 -4.863 -6.007 -11.325 1.00 0.00 C ATOM 379 O THR A 25 -5.359 -6.699 -10.458 1.00 0.00 O ATOM 380 CB THR A 25 -2.437 -5.440 -10.965 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.868 -4.089 -10.877 1.00 0.00 O ATOM 382 CG2 THR A 25 -1.056 -5.495 -11.623 1.00 0.00 C ATOM 0 H THR A 25 -2.755 -4.974 -13.378 1.00 0.00 H new ATOM 0 HA THR A 25 -3.187 -7.298 -11.718 1.00 0.00 H new ATOM 0 HB THR A 25 -2.382 -5.867 -9.964 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.645 -3.731 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.345 -4.926 -11.024 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.726 -6.532 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.112 -5.067 -12.624 1.00 0.00 H new ATOM 390 N LEU A 26 -5.539 -5.055 -11.913 1.00 0.00 N ATOM 391 CA LEU A 26 -6.957 -4.789 -11.536 1.00 0.00 C ATOM 392 C LEU A 26 -7.052 -4.115 -10.165 1.00 0.00 C ATOM 393 O LEU A 26 -7.629 -4.660 -9.246 1.00 0.00 O ATOM 394 CB LEU A 26 -7.710 -6.122 -11.486 1.00 0.00 C ATOM 395 CG LEU A 26 -8.812 -6.142 -12.545 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.934 -5.184 -12.141 1.00 0.00 C ATOM 397 CD2 LEU A 26 -8.237 -5.711 -13.896 1.00 0.00 C ATOM 0 H LEU A 26 -5.167 -4.447 -12.643 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.394 -4.121 -12.278 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.017 -6.947 -11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.143 -6.267 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.211 -7.153 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.718 -5.201 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.349 -5.494 -11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.536 -4.173 -12.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.025 -5.726 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.833 -4.702 -13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.442 -6.397 -14.189 1.00 0.00 H new ATOM 409 N ASP A 27 -6.517 -2.932 -10.014 1.00 0.00 N ATOM 410 CA ASP A 27 -6.623 -2.255 -8.683 1.00 0.00 C ATOM 411 C ASP A 27 -5.650 -1.079 -8.596 1.00 0.00 C ATOM 412 O ASP A 27 -4.760 -0.935 -9.409 1.00 0.00 O ATOM 413 CB ASP A 27 -6.281 -3.262 -7.586 1.00 0.00 C ATOM 414 CG ASP A 27 -7.511 -3.518 -6.711 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.484 -2.798 -6.862 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.457 -4.431 -5.903 1.00 0.00 O ATOM 0 H ASP A 27 -6.020 -2.412 -10.737 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.639 -1.882 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.940 -4.197 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.462 -2.883 -6.975 1.00 0.00 H new ATOM 421 N ARG A 28 -5.798 -0.247 -7.592 1.00 0.00 N ATOM 422 CA ARG A 28 -4.863 0.898 -7.441 1.00 0.00 C ATOM 423 C ARG A 28 -3.614 0.381 -6.729 1.00 0.00 C ATOM 424 O ARG A 28 -3.692 -0.503 -5.899 1.00 0.00 O ATOM 425 CB ARG A 28 -5.531 2.000 -6.610 1.00 0.00 C ATOM 426 CG ARG A 28 -4.865 3.346 -6.908 1.00 0.00 C ATOM 427 CD ARG A 28 -5.888 4.302 -7.535 1.00 0.00 C ATOM 428 NE ARG A 28 -7.078 4.417 -6.644 1.00 0.00 N ATOM 429 CZ ARG A 28 -8.243 4.728 -7.147 1.00 0.00 C ATOM 430 NH1 ARG A 28 -8.314 5.419 -8.253 1.00 0.00 N ATOM 431 NH2 ARG A 28 -9.339 4.352 -6.544 1.00 0.00 N ATOM 0 H ARG A 28 -6.523 -0.316 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.598 1.316 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.595 2.050 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.448 1.769 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.466 3.776 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.023 3.204 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.438 5.283 -7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.190 3.935 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.983 4.253 -5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.460 5.716 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.224 5.662 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.286 3.815 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.247 4.596 -6.938 1.00 0.00 H new ATOM 445 N TYR A 29 -2.459 0.890 -7.052 1.00 0.00 N ATOM 446 CA TYR A 29 -1.233 0.377 -6.385 1.00 0.00 C ATOM 447 C TYR A 29 -0.195 1.489 -6.232 1.00 0.00 C ATOM 448 O TYR A 29 -0.168 2.442 -6.985 1.00 0.00 O ATOM 449 CB TYR A 29 -0.638 -0.745 -7.237 1.00 0.00 C ATOM 450 CG TYR A 29 -1.594 -1.913 -7.292 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.573 -2.880 -6.282 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.497 -2.034 -8.357 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.451 -3.968 -6.334 1.00 0.00 C ATOM 454 CE2 TYR A 29 -3.375 -3.123 -8.411 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.352 -4.090 -7.399 1.00 0.00 C ATOM 456 OH TYR A 29 -4.214 -5.166 -7.451 1.00 0.00 O ATOM 0 H TYR A 29 -2.312 1.629 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.499 0.007 -5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.437 -0.381 -8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.316 -1.065 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.878 -2.787 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.515 -1.287 -9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.434 -4.714 -5.553 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.070 -3.217 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.592 -5.325 -6.561 1.00 0.00 H new ATOM 466 N ALA A 30 0.671 1.358 -5.263 1.00 0.00 N ATOM 467 CA ALA A 30 1.728 2.385 -5.050 1.00 0.00 C ATOM 468 C ALA A 30 3.072 1.677 -4.861 1.00 0.00 C ATOM 469 O ALA A 30 3.312 1.042 -3.853 1.00 0.00 O ATOM 470 CB ALA A 30 1.404 3.210 -3.804 1.00 0.00 C ATOM 0 H ALA A 30 0.690 0.578 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 30 1.775 3.050 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.180 3.960 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.442 3.705 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.359 2.554 -2.935 1.00 0.00 H new ATOM 476 N ASN A 31 3.945 1.768 -5.826 1.00 0.00 N ATOM 477 CA ASN A 31 5.264 1.087 -5.704 1.00 0.00 C ATOM 478 C ASN A 31 6.111 1.771 -4.631 1.00 0.00 C ATOM 479 O ASN A 31 6.806 2.732 -4.895 1.00 0.00 O ATOM 480 CB ASN A 31 5.996 1.147 -7.046 1.00 0.00 C ATOM 481 CG ASN A 31 6.064 2.597 -7.528 1.00 0.00 C ATOM 482 OD1 ASN A 31 7.020 3.296 -7.258 1.00 0.00 O ATOM 483 ND2 ASN A 31 5.081 3.083 -8.237 1.00 0.00 N ATOM 0 H ASN A 31 3.802 2.285 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 31 5.102 0.047 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.002 0.740 -6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.478 0.532 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.116 4.049 -8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.278 2.497 -8.464 1.00 0.00 H new ATOM 490 N TYR A 32 6.062 1.281 -3.421 1.00 0.00 N ATOM 491 CA TYR A 32 6.868 1.897 -2.331 1.00 0.00 C ATOM 492 C TYR A 32 8.285 1.310 -2.335 1.00 0.00 C ATOM 493 O TYR A 32 8.752 0.802 -1.334 1.00 0.00 O ATOM 494 CB TYR A 32 6.207 1.613 -0.982 1.00 0.00 C ATOM 495 CG TYR A 32 6.781 2.541 0.059 1.00 0.00 C ATOM 496 CD1 TYR A 32 6.918 3.905 -0.222 1.00 0.00 C ATOM 497 CD2 TYR A 32 7.177 2.038 1.304 1.00 0.00 C ATOM 498 CE1 TYR A 32 7.453 4.767 0.742 1.00 0.00 C ATOM 499 CE2 TYR A 32 7.712 2.900 2.267 1.00 0.00 C ATOM 500 CZ TYR A 32 7.850 4.265 1.987 1.00 0.00 C ATOM 501 OH TYR A 32 8.375 5.115 2.937 1.00 0.00 O ATOM 0 H TYR A 32 5.497 0.479 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 32 6.923 2.974 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.129 1.753 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.375 0.575 -0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.611 4.292 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.070 0.985 1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.560 5.820 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.019 2.512 3.227 1.00 0.00 H new ATOM 0 HH TYR A 32 8.598 4.606 3.744 1.00 0.00 H new ATOM 511 N GLU A 33 8.966 1.393 -3.451 1.00 0.00 N ATOM 512 CA GLU A 33 10.365 0.868 -3.556 1.00 0.00 C ATOM 513 C GLU A 33 10.582 -0.333 -2.628 1.00 0.00 C ATOM 514 O GLU A 33 10.845 -0.180 -1.452 1.00 0.00 O ATOM 515 CB GLU A 33 11.344 1.978 -3.175 1.00 0.00 C ATOM 516 CG GLU A 33 12.310 2.228 -4.335 1.00 0.00 C ATOM 517 CD GLU A 33 13.536 2.987 -3.828 1.00 0.00 C ATOM 518 OE1 GLU A 33 13.919 2.762 -2.692 1.00 0.00 O ATOM 519 OE2 GLU A 33 14.073 3.780 -4.584 1.00 0.00 O ATOM 0 H GLU A 33 8.606 1.810 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 33 10.534 0.542 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.799 2.892 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.899 1.696 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.615 1.280 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.813 2.801 -5.118 1.00 0.00 H new ATOM 526 N GLY A 34 10.494 -1.527 -3.149 1.00 0.00 N ATOM 527 CA GLY A 34 10.713 -2.728 -2.296 1.00 0.00 C ATOM 528 C GLY A 34 9.369 -3.274 -1.813 1.00 0.00 C ATOM 529 O GLY A 34 9.224 -4.454 -1.556 1.00 0.00 O ATOM 0 H GLY A 34 10.280 -1.722 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.245 -3.494 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.339 -2.469 -1.442 1.00 0.00 H new ATOM 533 N CYS A 35 8.383 -2.429 -1.685 1.00 0.00 N ATOM 534 CA CYS A 35 7.052 -2.909 -1.214 1.00 0.00 C ATOM 535 C CYS A 35 5.962 -2.418 -2.170 1.00 0.00 C ATOM 536 O CYS A 35 6.109 -1.403 -2.817 1.00 0.00 O ATOM 537 CB CYS A 35 6.779 -2.357 0.187 1.00 0.00 C ATOM 538 SG CYS A 35 8.213 -2.656 1.253 1.00 0.00 S ATOM 0 H CYS A 35 8.440 -1.430 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 35 7.050 -3.999 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.571 -1.288 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.894 -2.833 0.610 1.00 0.00 H new ATOM 543 N LEU A 36 4.869 -3.126 -2.263 1.00 0.00 N ATOM 544 CA LEU A 36 3.772 -2.688 -3.174 1.00 0.00 C ATOM 545 C LEU A 36 2.460 -2.614 -2.400 1.00 0.00 C ATOM 546 O LEU A 36 1.970 -3.618 -1.905 1.00 0.00 O ATOM 547 CB LEU A 36 3.604 -3.692 -4.320 1.00 0.00 C ATOM 548 CG LEU A 36 2.605 -3.174 -5.373 1.00 0.00 C ATOM 549 CD1 LEU A 36 1.213 -3.703 -5.047 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.571 -1.638 -5.393 1.00 0.00 C ATOM 0 H LEU A 36 4.688 -3.988 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 36 4.027 -1.708 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.570 -3.876 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.256 -4.646 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 36 2.924 -3.525 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.502 -3.339 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.226 -4.793 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.914 -3.356 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.858 -1.300 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.268 -1.268 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.562 -1.255 -5.635 1.00 0.00 H new ATOM 562 N TRP A 37 1.882 -1.438 -2.312 1.00 0.00 N ATOM 563 CA TRP A 37 0.585 -1.283 -1.590 1.00 0.00 C ATOM 564 C TRP A 37 -0.564 -1.347 -2.599 1.00 0.00 C ATOM 565 O TRP A 37 -0.351 -1.356 -3.795 1.00 0.00 O ATOM 566 CB TRP A 37 0.529 0.065 -0.869 1.00 0.00 C ATOM 567 CG TRP A 37 1.710 0.228 0.025 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.004 0.204 -0.363 1.00 0.00 C ATOM 569 CD2 TRP A 37 1.712 0.447 1.461 1.00 0.00 C ATOM 570 NE1 TRP A 37 3.803 0.399 0.749 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.049 0.553 1.899 1.00 0.00 C ATOM 572 CE3 TRP A 37 0.685 0.562 2.416 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.360 0.768 3.242 1.00 0.00 C ATOM 574 CZ3 TRP A 37 0.991 0.777 3.766 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.326 0.881 4.180 1.00 0.00 C ATOM 0 H TRP A 37 2.257 -0.578 -2.712 1.00 0.00 H new ATOM 0 HA TRP A 37 0.496 -2.085 -0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.504 0.874 -1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.389 0.134 -0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.356 0.057 -1.373 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.822 0.426 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.347 0.484 2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.390 0.847 3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.195 0.863 4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.557 1.048 5.222 1.00 0.00 H new ATOM 586 N ASN A 38 -1.780 -1.391 -2.129 1.00 0.00 N ATOM 587 CA ASN A 38 -2.935 -1.464 -3.069 1.00 0.00 C ATOM 588 C ASN A 38 -4.095 -0.609 -2.542 1.00 0.00 C ATOM 589 O ASN A 38 -4.656 -0.875 -1.493 1.00 0.00 O ATOM 590 CB ASN A 38 -3.355 -2.942 -3.215 1.00 0.00 C ATOM 591 CG ASN A 38 -4.881 -3.107 -3.168 1.00 0.00 C ATOM 592 OD1 ASN A 38 -5.389 -3.966 -2.476 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.633 -2.313 -3.879 1.00 0.00 N ATOM 0 H ASN A 38 -2.024 -1.380 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.653 -1.073 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.975 -3.337 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.901 -3.530 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.648 -2.414 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.206 -1.592 -4.460 1.00 0.00 H new ATOM 600 N ALA A 39 -4.466 0.401 -3.283 1.00 0.00 N ATOM 601 CA ALA A 39 -5.595 1.271 -2.863 1.00 0.00 C ATOM 602 C ALA A 39 -6.901 0.698 -3.418 1.00 0.00 C ATOM 603 O ALA A 39 -6.960 0.220 -4.545 1.00 0.00 O ATOM 604 CB ALA A 39 -5.384 2.687 -3.404 1.00 0.00 C ATOM 0 H ALA A 39 -4.030 0.660 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.643 1.309 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.214 3.322 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.451 3.091 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.337 2.657 -4.493 1.00 0.00 H new ATOM 610 N THR A 40 -7.946 0.737 -2.633 1.00 0.00 N ATOM 611 CA THR A 40 -9.253 0.194 -3.090 1.00 0.00 C ATOM 612 C THR A 40 -10.392 1.062 -2.544 1.00 0.00 C ATOM 613 O THR A 40 -11.183 1.604 -3.290 1.00 0.00 O ATOM 614 CB THR A 40 -9.414 -1.242 -2.579 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.791 -1.590 -2.582 1.00 0.00 O ATOM 616 CG2 THR A 40 -8.861 -1.361 -1.154 1.00 0.00 C ATOM 0 H THR A 40 -7.947 1.125 -1.690 1.00 0.00 H new ATOM 0 HA THR A 40 -9.286 0.200 -4.179 1.00 0.00 H new ATOM 0 HB THR A 40 -8.860 -1.917 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.897 -2.508 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.981 -2.385 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.803 -1.098 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.405 -0.685 -0.495 1.00 0.00 H new ATOM 624 N GLY A 41 -10.484 1.194 -1.247 1.00 0.00 N ATOM 625 CA GLY A 41 -11.574 2.023 -0.656 1.00 0.00 C ATOM 626 C GLY A 41 -11.472 3.459 -1.172 1.00 0.00 C ATOM 627 O GLY A 41 -10.659 3.768 -2.020 1.00 0.00 O ATOM 0 H GLY A 41 -9.852 0.764 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.545 1.602 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.503 2.012 0.432 1.00 0.00 H new ATOM 631 N VAL A 42 -12.291 4.342 -0.667 1.00 0.00 N ATOM 632 CA VAL A 42 -12.241 5.756 -1.130 1.00 0.00 C ATOM 633 C VAL A 42 -10.864 6.346 -0.817 1.00 0.00 C ATOM 634 O VAL A 42 -10.306 6.122 0.240 1.00 0.00 O ATOM 635 CB VAL A 42 -13.327 6.567 -0.414 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.903 6.841 1.030 1.00 0.00 C ATOM 637 CG2 VAL A 42 -13.534 7.896 -1.144 1.00 0.00 C ATOM 0 H VAL A 42 -12.992 4.144 0.047 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.414 5.795 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.258 6.000 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.679 7.418 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.757 5.895 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.971 7.406 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.306 8.474 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.601 8.459 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.843 7.703 -2.171 1.00 0.00 H new ATOM 647 N VAL A 43 -10.310 7.099 -1.728 1.00 0.00 N ATOM 648 CA VAL A 43 -8.969 7.703 -1.487 1.00 0.00 C ATOM 649 C VAL A 43 -8.929 9.107 -2.092 1.00 0.00 C ATOM 650 O VAL A 43 -9.747 9.458 -2.919 1.00 0.00 O ATOM 651 CB VAL A 43 -7.895 6.832 -2.145 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.535 7.134 -1.515 1.00 0.00 C ATOM 653 CG2 VAL A 43 -8.235 5.355 -1.931 1.00 0.00 C ATOM 0 H VAL A 43 -10.729 7.322 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.782 7.764 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.858 7.048 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.771 6.514 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.290 8.186 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.573 6.918 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.471 4.734 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.272 5.141 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.205 5.136 -2.379 1.00 0.00 H new ATOM 663 N VAL A 44 -7.986 9.915 -1.690 1.00 0.00 N ATOM 664 CA VAL A 44 -7.903 11.294 -2.252 1.00 0.00 C ATOM 665 C VAL A 44 -6.728 11.372 -3.225 1.00 0.00 C ATOM 666 O VAL A 44 -5.654 10.874 -2.952 1.00 0.00 O ATOM 667 CB VAL A 44 -7.697 12.301 -1.118 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.298 12.127 -0.524 1.00 0.00 C ATOM 669 CG2 VAL A 44 -7.840 13.724 -1.665 1.00 0.00 C ATOM 0 H VAL A 44 -7.272 9.682 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.829 11.529 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.445 12.129 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.154 12.845 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.192 11.115 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.550 12.297 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.693 14.441 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.092 13.893 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.836 13.853 -2.088 1.00 0.00 H new ATOM 679 N CYS A 45 -6.916 11.991 -4.359 1.00 0.00 N ATOM 680 CA CYS A 45 -5.798 12.092 -5.337 1.00 0.00 C ATOM 681 C CYS A 45 -5.676 13.530 -5.840 1.00 0.00 C ATOM 682 O CYS A 45 -6.631 14.282 -5.845 1.00 0.00 O ATOM 683 CB CYS A 45 -6.058 11.156 -6.519 1.00 0.00 C ATOM 684 SG CYS A 45 -5.915 9.441 -5.968 1.00 0.00 S ATOM 0 H CYS A 45 -7.791 12.429 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.869 11.803 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.052 11.336 -6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.343 11.354 -7.318 1.00 0.00 H new ATOM 689 N THR A 46 -4.505 13.915 -6.267 1.00 0.00 N ATOM 690 CA THR A 46 -4.314 15.302 -6.774 1.00 0.00 C ATOM 691 C THR A 46 -3.255 15.295 -7.878 1.00 0.00 C ATOM 692 O THR A 46 -2.457 14.380 -7.982 1.00 0.00 O ATOM 693 CB THR A 46 -3.854 16.208 -5.629 1.00 0.00 C ATOM 694 OG1 THR A 46 -3.943 17.566 -6.038 1.00 0.00 O ATOM 695 CG2 THR A 46 -2.407 15.877 -5.264 1.00 0.00 C ATOM 0 H THR A 46 -3.671 13.328 -6.286 1.00 0.00 H new ATOM 0 HA THR A 46 -5.256 15.677 -7.174 1.00 0.00 H new ATOM 0 HB THR A 46 -4.491 16.047 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.651 18.148 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.081 16.523 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.340 14.835 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.767 16.037 -6.132 1.00 0.00 H new ATOM 703 N GLY A 47 -3.247 16.307 -8.705 1.00 0.00 N ATOM 704 CA GLY A 47 -2.246 16.361 -9.808 1.00 0.00 C ATOM 705 C GLY A 47 -2.501 15.204 -10.771 1.00 0.00 C ATOM 706 O GLY A 47 -1.838 14.189 -10.720 1.00 0.00 O ATOM 0 H GLY A 47 -3.890 17.097 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.319 17.312 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.236 16.297 -9.403 1.00 0.00 H new ATOM 710 N ASP A 48 -3.465 15.336 -11.640 1.00 0.00 N ATOM 711 CA ASP A 48 -3.755 14.224 -12.584 1.00 0.00 C ATOM 712 C ASP A 48 -4.118 12.983 -11.775 1.00 0.00 C ATOM 713 O ASP A 48 -4.103 11.874 -12.272 1.00 0.00 O ATOM 714 CB ASP A 48 -2.510 13.927 -13.414 1.00 0.00 C ATOM 715 CG ASP A 48 -2.768 14.292 -14.876 1.00 0.00 C ATOM 716 OD1 ASP A 48 -3.803 13.900 -15.391 1.00 0.00 O ATOM 717 OD2 ASP A 48 -1.927 14.959 -15.457 1.00 0.00 O ATOM 0 H ASP A 48 -4.059 16.159 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.577 14.501 -13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.662 14.495 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.250 12.872 -13.333 1.00 0.00 H new ATOM 722 N GLU A 49 -4.428 13.162 -10.525 1.00 0.00 N ATOM 723 CA GLU A 49 -4.774 12.003 -9.669 1.00 0.00 C ATOM 724 C GLU A 49 -3.573 11.056 -9.597 1.00 0.00 C ATOM 725 O GLU A 49 -3.719 9.850 -9.636 1.00 0.00 O ATOM 726 CB GLU A 49 -5.980 11.264 -10.257 1.00 0.00 C ATOM 727 CG GLU A 49 -7.269 11.973 -9.836 1.00 0.00 C ATOM 728 CD GLU A 49 -8.074 12.352 -11.082 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.020 11.607 -12.047 1.00 0.00 O ATOM 730 OE2 GLU A 49 -8.732 13.379 -11.048 1.00 0.00 O ATOM 0 H GLU A 49 -4.456 14.068 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.026 12.352 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.907 11.235 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.991 10.231 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.861 11.323 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.033 12.866 -9.257 1.00 0.00 H new ATOM 737 N THR A 50 -2.385 11.593 -9.498 1.00 0.00 N ATOM 738 CA THR A 50 -1.177 10.722 -9.429 1.00 0.00 C ATOM 739 C THR A 50 -0.753 10.540 -7.971 1.00 0.00 C ATOM 740 O THR A 50 -0.283 9.490 -7.585 1.00 0.00 O ATOM 741 CB THR A 50 -0.033 11.362 -10.218 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.106 12.775 -10.100 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.144 10.963 -11.691 1.00 0.00 C ATOM 0 H THR A 50 -2.200 12.595 -9.462 1.00 0.00 H new ATOM 0 HA THR A 50 -1.413 9.749 -9.860 1.00 0.00 H new ATOM 0 HB THR A 50 0.921 11.016 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.798 13.118 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.671 11.419 -12.254 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.084 9.878 -11.780 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.098 11.307 -12.090 1.00 0.00 H new ATOM 751 N GLN A 51 -0.924 11.540 -7.150 1.00 0.00 N ATOM 752 CA GLN A 51 -0.536 11.387 -5.723 1.00 0.00 C ATOM 753 C GLN A 51 -1.796 11.134 -4.911 1.00 0.00 C ATOM 754 O GLN A 51 -2.821 11.738 -5.154 1.00 0.00 O ATOM 755 CB GLN A 51 0.149 12.658 -5.218 1.00 0.00 C ATOM 756 CG GLN A 51 0.990 13.272 -6.338 1.00 0.00 C ATOM 757 CD GLN A 51 1.453 14.670 -5.918 1.00 0.00 C ATOM 758 OE1 GLN A 51 0.900 15.660 -6.353 1.00 0.00 O ATOM 759 NE2 GLN A 51 2.449 14.792 -5.085 1.00 0.00 N ATOM 0 H GLN A 51 -1.312 12.448 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 51 0.160 10.555 -5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.599 13.374 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.781 12.426 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.852 12.639 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.406 13.331 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.913 13.960 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.764 15.719 -4.799 1.00 0.00 H new ATOM 768 N CYS A 52 -1.752 10.246 -3.960 1.00 0.00 N ATOM 769 CA CYS A 52 -2.989 9.987 -3.177 1.00 0.00 C ATOM 770 C CYS A 52 -2.670 9.524 -1.753 1.00 0.00 C ATOM 771 O CYS A 52 -1.577 9.073 -1.450 1.00 0.00 O ATOM 772 CB CYS A 52 -3.819 8.895 -3.861 1.00 0.00 C ATOM 773 SG CYS A 52 -3.935 9.215 -5.637 1.00 0.00 S ATOM 0 H CYS A 52 -0.933 9.699 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.545 10.923 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.362 7.920 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.817 8.861 -3.425 1.00 0.00 H new ATOM 778 N TYR A 53 -3.647 9.607 -0.885 1.00 0.00 N ATOM 779 CA TYR A 53 -3.464 9.157 0.521 1.00 0.00 C ATOM 780 C TYR A 53 -4.734 8.418 0.964 1.00 0.00 C ATOM 781 O TYR A 53 -5.826 8.720 0.519 1.00 0.00 O ATOM 782 CB TYR A 53 -3.205 10.373 1.434 1.00 0.00 C ATOM 783 CG TYR A 53 -3.702 10.098 2.843 1.00 0.00 C ATOM 784 CD1 TYR A 53 -3.026 9.186 3.667 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.846 10.751 3.320 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.492 8.930 4.963 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.311 10.495 4.616 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.635 9.584 5.436 1.00 0.00 C ATOM 789 OH TYR A 53 -5.095 9.333 6.713 1.00 0.00 O ATOM 0 H TYR A 53 -4.575 9.973 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.606 8.489 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.139 10.598 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.708 11.252 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.145 8.680 3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.370 11.453 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.970 8.228 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.192 11.001 4.983 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.897 9.870 6.883 1.00 0.00 H new ATOM 799 N GLY A 54 -4.600 7.455 1.837 1.00 0.00 N ATOM 800 CA GLY A 54 -5.801 6.704 2.305 1.00 0.00 C ATOM 801 C GLY A 54 -5.399 5.282 2.701 1.00 0.00 C ATOM 802 O GLY A 54 -4.574 5.078 3.570 1.00 0.00 O ATOM 0 H GLY A 54 -3.714 7.157 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.252 7.215 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.553 6.673 1.516 1.00 0.00 H new ATOM 806 N THR A 55 -5.978 4.296 2.072 1.00 0.00 N ATOM 807 CA THR A 55 -5.630 2.888 2.415 1.00 0.00 C ATOM 808 C THR A 55 -5.015 2.200 1.200 1.00 0.00 C ATOM 809 O THR A 55 -5.535 2.244 0.103 1.00 0.00 O ATOM 810 CB THR A 55 -6.893 2.135 2.848 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.940 2.405 1.928 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.307 2.591 4.244 1.00 0.00 C ATOM 0 H THR A 55 -6.676 4.404 1.336 1.00 0.00 H new ATOM 0 HA THR A 55 -4.910 2.885 3.233 1.00 0.00 H new ATOM 0 HB THR A 55 -6.691 1.064 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.562 2.550 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.205 2.055 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.502 2.383 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.510 3.662 4.232 1.00 0.00 H new ATOM 820 N TRP A 56 -3.908 1.559 1.410 1.00 0.00 N ATOM 821 CA TRP A 56 -3.210 0.840 0.320 1.00 0.00 C ATOM 822 C TRP A 56 -2.779 -0.537 0.827 1.00 0.00 C ATOM 823 O TRP A 56 -1.616 -0.775 1.066 1.00 0.00 O ATOM 824 CB TRP A 56 -1.974 1.630 -0.013 1.00 0.00 C ATOM 825 CG TRP A 56 -2.350 3.047 -0.245 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.674 3.940 0.716 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.457 3.739 -1.509 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.977 5.146 0.114 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.855 5.072 -1.264 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.245 3.335 -2.834 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -3.039 5.978 -2.310 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.427 4.236 -3.889 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.825 5.559 -3.630 1.00 0.00 C ATOM 0 H TRP A 56 -3.445 1.502 2.317 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.859 0.727 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.253 1.561 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.493 1.219 -0.900 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.693 3.744 1.778 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.256 5.986 0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.939 2.321 -3.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.344 6.993 -2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.261 3.914 -4.906 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.966 6.251 -4.447 1.00 0.00 H new ATOM 844 N VAL A 57 -3.690 -1.436 1.042 1.00 0.00 N ATOM 845 CA VAL A 57 -3.277 -2.765 1.582 1.00 0.00 C ATOM 846 C VAL A 57 -2.050 -3.286 0.819 1.00 0.00 C ATOM 847 O VAL A 57 -2.036 -3.295 -0.394 1.00 0.00 O ATOM 848 CB VAL A 57 -4.441 -3.757 1.447 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.921 -5.197 1.525 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.439 -3.522 2.582 1.00 0.00 C ATOM 0 H VAL A 57 -4.689 -1.317 0.872 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.015 -2.659 2.635 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.928 -3.604 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.756 -5.891 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.209 -5.371 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.428 -5.354 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.267 -4.225 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.942 -3.671 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.820 -2.502 2.526 1.00 0.00 H new ATOM 860 N PRO A 58 -1.056 -3.719 1.562 1.00 0.00 N ATOM 861 CA PRO A 58 0.183 -4.261 0.985 1.00 0.00 C ATOM 862 C PRO A 58 -0.088 -5.644 0.403 1.00 0.00 C ATOM 863 O PRO A 58 -0.645 -6.504 1.055 1.00 0.00 O ATOM 864 CB PRO A 58 1.150 -4.319 2.173 1.00 0.00 C ATOM 865 CG PRO A 58 0.273 -4.326 3.448 1.00 0.00 C ATOM 866 CD PRO A 58 -1.085 -3.725 3.041 1.00 0.00 C ATOM 0 HA PRO A 58 0.588 -3.662 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.772 -5.213 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.823 -3.461 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.151 -5.339 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.736 -3.739 4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.914 -4.323 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.210 -2.718 3.440 1.00 0.00 H new ATOM 874 N ILE A 59 0.282 -5.860 -0.826 1.00 0.00 N ATOM 875 CA ILE A 59 0.020 -7.180 -1.448 1.00 0.00 C ATOM 876 C ILE A 59 1.316 -7.790 -1.983 1.00 0.00 C ATOM 877 O ILE A 59 1.430 -8.995 -2.083 1.00 0.00 O ATOM 878 CB ILE A 59 -0.972 -7.019 -2.602 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.443 -5.961 -3.581 1.00 0.00 C ATOM 880 CG2 ILE A 59 -2.340 -6.598 -2.058 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.713 -4.551 -3.044 1.00 0.00 C ATOM 0 H ILE A 59 0.753 -5.181 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.397 -7.842 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.082 -7.969 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.627 -6.100 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.921 -6.084 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.041 -6.485 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.708 -7.360 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.245 -5.649 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.332 -3.813 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.786 -4.410 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.213 -4.426 -2.083 1.00 0.00 H new ATOM 893 N GLY A 60 2.299 -7.001 -2.348 1.00 0.00 N ATOM 894 CA GLY A 60 3.536 -7.644 -2.881 1.00 0.00 C ATOM 895 C GLY A 60 4.783 -6.797 -2.629 1.00 0.00 C ATOM 896 O GLY A 60 4.860 -6.036 -1.685 1.00 0.00 O ATOM 0 H GLY A 60 2.301 -5.982 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.664 -8.622 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.423 -7.812 -3.952 1.00 0.00 H new ATOM 900 N LEU A 61 5.777 -6.965 -3.463 1.00 0.00 N ATOM 901 CA LEU A 61 7.056 -6.221 -3.286 1.00 0.00 C ATOM 902 C LEU A 61 7.038 -4.875 -4.023 1.00 0.00 C ATOM 903 O LEU A 61 7.580 -3.904 -3.534 1.00 0.00 O ATOM 904 CB LEU A 61 8.206 -7.069 -3.833 1.00 0.00 C ATOM 905 CG LEU A 61 8.046 -8.515 -3.361 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.062 -9.406 -4.078 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.281 -8.586 -1.851 1.00 0.00 C ATOM 0 H LEU A 61 5.755 -7.593 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 61 7.188 -6.025 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.214 -7.030 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.161 -6.668 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 61 7.038 -8.861 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.946 -10.436 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.894 -9.356 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.071 -9.062 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.167 -9.616 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.289 -8.238 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.555 -7.954 -1.340 1.00 0.00 H new ATOM 919 N ALA A 62 6.451 -4.782 -5.192 1.00 0.00 N ATOM 920 CA ALA A 62 6.477 -3.454 -5.884 1.00 0.00 C ATOM 921 C ALA A 62 5.353 -3.293 -6.923 1.00 0.00 C ATOM 922 O ALA A 62 4.558 -2.382 -6.823 1.00 0.00 O ATOM 923 CB ALA A 62 7.829 -3.273 -6.566 1.00 0.00 C ATOM 0 H ALA A 62 5.972 -5.537 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 62 6.317 -2.690 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.855 -2.308 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.622 -3.312 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.978 -4.069 -7.295 1.00 0.00 H new ATOM 929 N ILE A 63 5.292 -4.110 -7.944 1.00 0.00 N ATOM 930 CA ILE A 63 4.219 -3.899 -8.969 1.00 0.00 C ATOM 931 C ILE A 63 3.254 -5.111 -9.137 1.00 0.00 C ATOM 932 O ILE A 63 2.556 -5.169 -10.130 1.00 0.00 O ATOM 933 CB ILE A 63 4.908 -3.562 -10.313 1.00 0.00 C ATOM 934 CG1 ILE A 63 4.321 -2.260 -10.871 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.731 -4.691 -11.343 1.00 0.00 C ATOM 936 CD1 ILE A 63 2.892 -2.501 -11.362 1.00 0.00 C ATOM 0 H ILE A 63 5.920 -4.896 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 63 3.586 -3.080 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 63 5.976 -3.446 -10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.325 -1.489 -10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.939 -1.894 -11.691 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.229 -4.416 -12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.170 -5.610 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.669 -4.848 -11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.481 -1.572 -11.757 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.900 -3.257 -12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.275 -2.846 -10.532 1.00 0.00 H new ATOM 948 N PRO A 64 3.203 -6.038 -8.200 1.00 0.00 N ATOM 949 CA PRO A 64 2.293 -7.196 -8.326 1.00 0.00 C ATOM 950 C PRO A 64 0.849 -6.792 -8.027 1.00 0.00 C ATOM 951 O PRO A 64 0.587 -5.793 -7.386 1.00 0.00 O ATOM 952 CB PRO A 64 2.793 -8.171 -7.263 1.00 0.00 C ATOM 953 CG PRO A 64 3.542 -7.313 -6.224 1.00 0.00 C ATOM 954 CD PRO A 64 4.006 -6.046 -6.959 1.00 0.00 C ATOM 0 HA PRO A 64 2.294 -7.617 -9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.963 -8.706 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.453 -8.921 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.891 -7.060 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.393 -7.856 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.828 -5.151 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.074 -6.078 -7.175 1.00 0.00 H new ATOM 962 N GLU A 65 -0.087 -7.574 -8.484 1.00 0.00 N ATOM 963 CA GLU A 65 -1.521 -7.260 -8.229 1.00 0.00 C ATOM 964 C GLU A 65 -1.885 -7.655 -6.796 1.00 0.00 C ATOM 965 O GLU A 65 -1.062 -7.622 -5.905 1.00 0.00 O ATOM 966 CB GLU A 65 -2.397 -8.044 -9.207 1.00 0.00 C ATOM 967 CG GLU A 65 -2.376 -9.526 -8.830 1.00 0.00 C ATOM 968 CD GLU A 65 -2.235 -10.373 -10.095 1.00 0.00 C ATOM 969 OE1 GLU A 65 -3.197 -10.456 -10.839 1.00 0.00 O ATOM 970 OE2 GLU A 65 -1.165 -10.923 -10.299 1.00 0.00 O ATOM 0 H GLU A 65 0.079 -8.422 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.686 -6.191 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.419 -7.665 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.033 -7.911 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.548 -9.727 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.292 -9.791 -8.303 1.00 0.00 H new ATOM 977 N ASN A 66 -3.116 -8.026 -6.570 1.00 0.00 N ATOM 978 CA ASN A 66 -3.542 -8.416 -5.196 1.00 0.00 C ATOM 979 C ASN A 66 -2.794 -9.677 -4.757 1.00 0.00 C ATOM 980 O ASN A 66 -2.385 -9.803 -3.620 1.00 0.00 O ATOM 981 CB ASN A 66 -5.048 -8.690 -5.195 1.00 0.00 C ATOM 982 CG ASN A 66 -5.803 -7.391 -4.913 1.00 0.00 C ATOM 983 OD1 ASN A 66 -5.766 -6.468 -5.703 1.00 0.00 O ATOM 984 ND2 ASN A 66 -6.494 -7.279 -3.812 1.00 0.00 N ATOM 0 H ASN A 66 -3.847 -8.076 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.313 -7.606 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.354 -9.099 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.292 -9.436 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.003 -6.417 -3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.525 -8.053 -3.149 1.00 0.00 H new ATOM 991 N ALA A 67 -2.614 -10.615 -5.645 1.00 0.00 N ATOM 992 CA ALA A 67 -1.896 -11.866 -5.270 1.00 0.00 C ATOM 993 C ALA A 67 -0.410 -11.729 -5.612 1.00 0.00 C ATOM 994 O ALA A 67 0.053 -10.675 -6.002 1.00 0.00 O ATOM 995 CB ALA A 67 -2.490 -13.045 -6.043 1.00 0.00 C ATOM 0 H ALA A 67 -2.932 -10.570 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.006 -12.039 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.966 -13.961 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.547 -13.145 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.381 -12.870 -7.113 1.00 0.00 H new ATOM 1001 N ALA A 68 0.341 -12.788 -5.469 1.00 0.00 N ATOM 1002 CA ALA A 68 1.795 -12.722 -5.787 1.00 0.00 C ATOM 1003 C ALA A 68 2.134 -13.787 -6.833 1.00 0.00 C ATOM 1004 O ALA A 68 2.008 -14.970 -6.592 1.00 0.00 O ATOM 1005 CB ALA A 68 2.609 -12.982 -4.516 1.00 0.00 C ATOM 0 H ALA A 68 0.009 -13.697 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 68 2.037 -11.734 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.673 -12.934 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.367 -12.227 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.368 -13.971 -4.125 1.00 0.00 H new ATOM 1011 N ALA A 69 2.562 -13.376 -7.995 1.00 0.00 N ATOM 1012 CA ALA A 69 2.904 -14.367 -9.055 1.00 0.00 C ATOM 1013 C ALA A 69 4.259 -15.002 -8.744 1.00 0.00 C ATOM 1014 O ALA A 69 4.404 -16.209 -8.744 1.00 0.00 O ATOM 1015 CB ALA A 69 2.974 -13.661 -10.410 1.00 0.00 C ATOM 0 H ALA A 69 2.690 -12.398 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 69 2.138 -15.142 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.224 -14.385 -11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.008 -13.208 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.740 -12.886 -10.377 1.00 0.00 H new ATOM 1021 N HIS A 70 5.255 -14.202 -8.484 1.00 0.00 N ATOM 1022 CA HIS A 70 6.600 -14.761 -8.176 1.00 0.00 C ATOM 1023 C HIS A 70 6.631 -15.254 -6.729 1.00 0.00 C ATOM 1024 O HIS A 70 5.814 -14.792 -5.949 1.00 0.00 O ATOM 1025 CB HIS A 70 7.658 -13.674 -8.366 1.00 0.00 C ATOM 1026 CG HIS A 70 8.297 -13.826 -9.720 1.00 0.00 C ATOM 1027 ND1 HIS A 70 9.625 -13.509 -9.948 1.00 0.00 N ATOM 1028 CD2 HIS A 70 7.801 -14.262 -10.924 1.00 0.00 C ATOM 1029 CE1 HIS A 70 9.884 -13.757 -11.245 1.00 0.00 C ATOM 1030 NE2 HIS A 70 8.806 -14.217 -11.886 1.00 0.00 N ATOM 1031 OXT HIS A 70 7.470 -16.087 -6.425 1.00 0.00 O ATOM 0 H HIS A 70 5.195 -13.184 -8.472 1.00 0.00 H new ATOM 0 HA HIS A 70 6.808 -15.594 -8.847 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.202 -12.688 -8.276 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.415 -13.748 -7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.787 -14.590 -11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.846 -13.603 -11.711 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.735 -14.479 -12.869 1.00 0.00 H new TER 1039 HIS A 70