USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -108:sc= -6.61! (180deg=-4.3!) USER MOD Set 1.2: A 71 GLN : amide:sc= -5.23! K(o=-12!,f=-0.21) USER MOD Set 2.1: A 3 CYS SG : rot -90:sc= -11! USER MOD Set 2.2: A 16 CYS SG : rot 118:sc= -5.43! USER MOD Set 2.3: A 23 CYS SG : rot -102:sc= -13.5! USER MOD Set 2.4: A 44 CYS SG : rot -76:sc= -12.7! USER MOD Set 2.5: A 60 CYS SG : rot -41:sc= -22! USER MOD Set 2.6: A 62 THR OG1 : rot 54:sc= -1.51! USER MOD Set 2.7: A 65 CYS SG : rot 20:sc= -27.1! USER MOD Set 2.8: A 66 ASN : amide:sc= -10.7! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -44:sc= 0.0197! USER MOD Set 3.2: A 59 CYS SG : rot 130:sc= -8.79! USER MOD Set 4.1: A 29 CYS SG : rot -147:sc= -4.16! USER MOD Set 4.2: A 33 CYS SG : rot -62:sc= 1.54! USER MOD Set 4.3: A 38 LYS NZ :NH3+ -138:sc= 0.797 (180deg=0.0298) USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.24! USER MOD Set 5.2: A 8 THR OG1 : rot 75:sc= -1.22 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 1 ILE N :NH3+ -113:sc= -0.175 (180deg=-0.502) USER MOD Single : A 4 HIS : no HD1:sc= -13.6! C(o=-14!,f=-13!) USER MOD Single : A 6 THR OG1 : rot -77:sc= -2.51 USER MOD Single : A 12 SER OG : rot 180:sc= -1.03 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 21 ASN : amide:sc= -5.34! K(o=-5.3!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 140:sc= -1.28 (180deg=-1.74!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 48:sc= 1.09 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.09 (180deg=-1.49) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 74:sc= -0.153 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= -1.08 (180deg=-1.91!) USER MOD Single : A 68 HIS : no HE2:sc= -36.1! C(o=-36!,f=-43!) USER MOD Single : B 1 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.048) USER MOD Single : B 1 HIS N :NH3+ 157:sc= -14.8! (180deg=-15.5!) USER MOD Single : B 3 TYR OH : rot 124:sc= 0.173 USER MOD Single : B 4 TYR OH : rot -117:sc= -0.453 USER MOD Single : B 6 SER OG : rot -8:sc= 0.661! USER MOD Single : B 7 SER OG : rot 61:sc= -7.44! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.886 6.540 12.443 1.00 0.00 N ATOM 2 CA ILE A 1 -6.505 6.655 11.134 1.00 0.00 C ATOM 3 C ILE A 1 -6.770 5.256 10.575 1.00 0.00 C ATOM 4 O ILE A 1 -6.663 4.265 11.297 1.00 0.00 O ATOM 5 CB ILE A 1 -5.654 7.533 10.213 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.261 6.931 10.015 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.588 8.970 10.734 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.565 7.550 8.802 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.541 6.895 13.169 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.663 5.542 12.635 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.010 7.100 12.463 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.470 7.156 11.213 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.133 7.566 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.659 7.097 10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.343 5.852 9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.978 9.573 10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.594 9.386 10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.145 8.976 11.730 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.577 7.105 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.158 7.362 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.463 8.625 8.950 1.00 0.00 H new ATOM 20 N VAL A 2 -7.113 5.219 9.296 1.00 0.00 N ATOM 21 CA VAL A 2 -7.395 3.957 8.633 1.00 0.00 C ATOM 22 C VAL A 2 -6.517 3.835 7.384 1.00 0.00 C ATOM 23 O VAL A 2 -6.039 4.838 6.857 1.00 0.00 O ATOM 24 CB VAL A 2 -8.890 3.850 8.325 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.282 2.405 8.011 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.727 4.407 9.477 1.00 0.00 C ATOM 0 H VAL A 2 -7.202 6.043 8.701 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.151 3.119 9.286 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.095 4.453 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.349 2.356 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.721 2.056 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.056 1.772 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.786 4.319 9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.516 3.843 10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.477 5.456 9.635 1.00 0.00 H new ATOM 36 N CYS A 3 -6.334 2.598 6.949 1.00 0.00 N ATOM 37 CA CYS A 3 -5.522 2.330 5.772 1.00 0.00 C ATOM 38 C CYS A 3 -6.114 1.122 5.044 1.00 0.00 C ATOM 39 O CYS A 3 -6.709 0.246 5.670 1.00 0.00 O ATOM 40 CB CYS A 3 -4.053 2.114 6.137 1.00 0.00 C ATOM 41 SG CYS A 3 -3.623 3.099 7.619 1.00 0.00 S ATOM 0 H CYS A 3 -6.733 1.769 7.389 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.540 3.195 5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.869 1.057 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.416 2.403 5.301 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.207 4.275 7.253 1.00 0.00 H new ATOM 47 N HIS A 4 -5.931 1.115 3.732 1.00 0.00 N ATOM 48 CA HIS A 4 -6.440 0.029 2.911 1.00 0.00 C ATOM 49 C HIS A 4 -5.439 -1.129 2.914 1.00 0.00 C ATOM 50 O HIS A 4 -4.232 -0.909 2.998 1.00 0.00 O ATOM 51 CB HIS A 4 -6.772 0.522 1.503 1.00 0.00 C ATOM 52 CG HIS A 4 -7.443 1.876 1.467 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.681 2.114 2.039 1.00 0.00 N ATOM 54 CD2 HIS A 4 -7.034 3.058 0.925 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.993 3.387 1.842 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.972 3.969 1.151 1.00 0.00 N ATOM 0 H HIS A 4 -5.437 1.844 3.217 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.374 -0.343 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.853 0.568 0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.421 -0.207 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.105 3.225 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.897 3.877 2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.935 4.945 0.856 1.00 0.00 H new ATOM 65 N THR A 5 -5.978 -2.335 2.821 1.00 0.00 N ATOM 66 CA THR A 5 -5.148 -3.527 2.813 1.00 0.00 C ATOM 67 C THR A 5 -5.223 -4.218 1.449 1.00 0.00 C ATOM 68 O THR A 5 -6.277 -4.718 1.060 1.00 0.00 O ATOM 69 CB THR A 5 -5.590 -4.421 3.972 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.607 -5.244 3.408 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.311 -3.639 5.073 1.00 0.00 C ATOM 0 H THR A 5 -6.980 -2.513 2.750 1.00 0.00 H new ATOM 0 HA THR A 5 -4.097 -3.278 2.960 1.00 0.00 H new ATOM 0 HB THR A 5 -4.720 -4.924 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.028 -4.776 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.603 -4.321 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.644 -2.876 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.200 -3.163 4.659 1.00 0.00 H new ATOM 79 N THR A 6 -4.089 -4.226 0.762 1.00 0.00 N ATOM 80 CA THR A 6 -4.013 -4.847 -0.548 1.00 0.00 C ATOM 81 C THR A 6 -3.318 -6.206 -0.455 1.00 0.00 C ATOM 82 O THR A 6 -3.421 -7.025 -1.368 1.00 0.00 O ATOM 83 CB THR A 6 -3.311 -3.871 -1.495 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.908 -2.796 -0.649 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.277 -3.222 -2.488 1.00 0.00 C ATOM 0 H THR A 6 -3.216 -3.812 1.089 1.00 0.00 H new ATOM 0 HA THR A 6 -5.007 -5.051 -0.946 1.00 0.00 H new ATOM 0 HB THR A 6 -2.527 -4.395 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.683 -2.231 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.728 -2.539 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.750 -3.995 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.042 -2.669 -1.943 1.00 0.00 H new ATOM 93 N ALA A 7 -2.628 -6.407 0.658 1.00 0.00 N ATOM 94 CA ALA A 7 -1.916 -7.654 0.884 1.00 0.00 C ATOM 95 C ALA A 7 -2.878 -8.684 1.481 1.00 0.00 C ATOM 96 O ALA A 7 -2.958 -9.813 1.002 1.00 0.00 O ATOM 97 CB ALA A 7 -0.705 -7.396 1.782 1.00 0.00 C ATOM 0 H ALA A 7 -2.547 -5.727 1.414 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.542 -8.059 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.172 -8.331 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.039 -6.681 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.040 -6.992 2.737 1.00 0.00 H new ATOM 103 N THR A 8 -3.582 -8.256 2.518 1.00 0.00 N ATOM 104 CA THR A 8 -4.534 -9.126 3.187 1.00 0.00 C ATOM 105 C THR A 8 -5.797 -9.287 2.337 1.00 0.00 C ATOM 106 O THR A 8 -5.793 -10.013 1.343 1.00 0.00 O ATOM 107 CB THR A 8 -4.807 -8.552 4.577 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.671 -7.143 4.403 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.712 -8.909 5.584 1.00 0.00 C ATOM 0 H THR A 8 -3.512 -7.318 2.912 1.00 0.00 H new ATOM 0 HA THR A 8 -4.131 -10.131 3.310 1.00 0.00 H new ATOM 0 HB THR A 8 -5.767 -8.920 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.461 -6.793 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.955 -8.477 6.555 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.642 -9.993 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.757 -8.512 5.239 1.00 0.00 H new ATOM 117 N SER A 9 -6.847 -8.600 2.760 1.00 0.00 N ATOM 118 CA SER A 9 -8.114 -8.658 2.052 1.00 0.00 C ATOM 119 C SER A 9 -7.949 -8.100 0.637 1.00 0.00 C ATOM 120 O SER A 9 -6.831 -8.001 0.132 1.00 0.00 O ATOM 121 CB SER A 9 -9.201 -7.885 2.803 1.00 0.00 C ATOM 122 OG SER A 9 -8.907 -7.766 4.192 1.00 0.00 O ATOM 0 H SER A 9 -6.846 -8.000 3.585 1.00 0.00 H new ATOM 0 HA SER A 9 -8.424 -9.701 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.306 -6.891 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.158 -8.391 2.677 1.00 0.00 H new ATOM 0 HG SER A 9 -9.623 -7.265 4.636 1.00 0.00 H new ATOM 128 N PRO A 10 -9.106 -7.740 0.021 1.00 0.00 N ATOM 129 CA PRO A 10 -9.100 -7.193 -1.325 1.00 0.00 C ATOM 130 C PRO A 10 -8.609 -5.745 -1.328 1.00 0.00 C ATOM 131 O PRO A 10 -7.670 -5.406 -2.045 1.00 0.00 O ATOM 132 CB PRO A 10 -10.533 -7.336 -1.814 1.00 0.00 C ATOM 133 CG PRO A 10 -11.382 -7.523 -0.567 1.00 0.00 C ATOM 134 CD PRO A 10 -10.448 -7.841 0.590 1.00 0.00 C ATOM 0 HA PRO A 10 -8.412 -7.717 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.846 -6.453 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.633 -8.188 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.956 -6.620 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.100 -8.331 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.583 -7.139 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.636 -8.838 0.988 1.00 0.00 H new ATOM 142 N ILE A 11 -9.264 -4.930 -0.516 1.00 0.00 N ATOM 143 CA ILE A 11 -8.906 -3.525 -0.414 1.00 0.00 C ATOM 144 C ILE A 11 -10.020 -2.769 0.314 1.00 0.00 C ATOM 145 O ILE A 11 -11.064 -2.485 -0.269 1.00 0.00 O ATOM 146 CB ILE A 11 -8.578 -2.956 -1.796 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.081 -2.670 -1.931 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.427 -1.718 -2.094 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.750 -2.123 -3.320 1.00 0.00 C ATOM 0 H ILE A 11 -10.042 -5.216 0.079 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.000 -3.405 0.180 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.830 -3.708 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.775 -1.951 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.515 -3.584 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.175 -1.333 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.483 -1.986 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.229 -0.952 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.680 -1.928 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.035 -2.854 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.299 -1.196 -3.486 1.00 0.00 H new ATOM 161 N SER A 12 -9.757 -2.466 1.577 1.00 0.00 N ATOM 162 CA SER A 12 -10.725 -1.751 2.390 1.00 0.00 C ATOM 163 C SER A 12 -10.008 -0.997 3.513 1.00 0.00 C ATOM 164 O SER A 12 -9.069 -1.516 4.113 1.00 0.00 O ATOM 165 CB SER A 12 -11.769 -2.704 2.974 1.00 0.00 C ATOM 166 OG SER A 12 -11.245 -3.470 4.056 1.00 0.00 O ATOM 0 H SER A 12 -8.888 -2.703 2.056 1.00 0.00 H new ATOM 0 HA SER A 12 -11.244 -1.036 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.630 -2.132 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.124 -3.376 2.193 1.00 0.00 H new ATOM 0 HG SER A 12 -11.942 -4.065 4.403 1.00 0.00 H new ATOM 172 N ALA A 13 -10.478 0.217 3.763 1.00 0.00 N ATOM 173 CA ALA A 13 -9.895 1.047 4.802 1.00 0.00 C ATOM 174 C ALA A 13 -10.373 0.557 6.170 1.00 0.00 C ATOM 175 O ALA A 13 -11.479 0.883 6.598 1.00 0.00 O ATOM 176 CB ALA A 13 -10.256 2.512 4.548 1.00 0.00 C ATOM 0 H ALA A 13 -11.257 0.645 3.263 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.808 0.972 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.818 3.135 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.867 2.819 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.340 2.627 4.558 1.00 0.00 H new ATOM 182 N VAL A 14 -9.516 -0.220 6.818 1.00 0.00 N ATOM 183 CA VAL A 14 -9.838 -0.760 8.127 1.00 0.00 C ATOM 184 C VAL A 14 -8.723 -0.397 9.110 1.00 0.00 C ATOM 185 O VAL A 14 -7.548 -0.647 8.842 1.00 0.00 O ATOM 186 CB VAL A 14 -10.080 -2.267 8.028 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.656 -2.641 6.660 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.797 -3.050 8.314 1.00 0.00 C ATOM 0 H VAL A 14 -8.599 -0.488 6.460 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.762 -0.321 8.504 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.814 -2.538 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.819 -3.718 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.604 -2.124 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.956 -2.347 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.998 -4.119 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.032 -2.771 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.446 -2.819 9.320 1.00 0.00 H new ATOM 198 N THR A 15 -9.131 0.185 10.229 1.00 0.00 N ATOM 199 CA THR A 15 -8.180 0.584 11.253 1.00 0.00 C ATOM 200 C THR A 15 -7.210 -0.560 11.557 1.00 0.00 C ATOM 201 O THR A 15 -7.604 -1.725 11.574 1.00 0.00 O ATOM 202 CB THR A 15 -8.973 1.048 12.477 1.00 0.00 C ATOM 203 OG1 THR A 15 -9.973 1.908 11.938 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.153 1.961 13.393 1.00 0.00 C ATOM 0 H THR A 15 -10.106 0.389 10.449 1.00 0.00 H new ATOM 0 HA THR A 15 -7.559 1.413 10.914 1.00 0.00 H new ATOM 0 HB THR A 15 -9.314 0.179 13.039 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.534 2.253 12.664 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.761 2.262 14.246 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.272 1.425 13.747 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.841 2.847 12.839 1.00 0.00 H new ATOM 212 N CYS A 16 -5.959 -0.187 11.786 1.00 0.00 N ATOM 213 CA CYS A 16 -4.930 -1.167 12.087 1.00 0.00 C ATOM 214 C CYS A 16 -4.748 -1.222 13.605 1.00 0.00 C ATOM 215 O CYS A 16 -5.404 -0.486 14.339 1.00 0.00 O ATOM 216 CB CYS A 16 -3.619 -0.849 11.366 1.00 0.00 C ATOM 217 SG CYS A 16 -3.186 -2.212 10.222 1.00 0.00 S ATOM 0 H CYS A 16 -5.635 0.780 11.769 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.240 -2.147 11.724 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.716 0.085 10.812 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.820 -0.706 12.093 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.172 -1.766 9.001 1.00 0.00 H new ATOM 223 N PRO A 17 -3.829 -2.126 14.041 1.00 0.00 N ATOM 224 CA PRO A 17 -3.552 -2.286 15.457 1.00 0.00 C ATOM 225 C PRO A 17 -2.712 -1.122 15.988 1.00 0.00 C ATOM 226 O PRO A 17 -2.449 -0.163 15.267 1.00 0.00 O ATOM 227 CB PRO A 17 -2.848 -3.629 15.571 1.00 0.00 C ATOM 228 CG PRO A 17 -2.343 -3.953 14.175 1.00 0.00 C ATOM 229 CD PRO A 17 -3.034 -3.013 13.200 1.00 0.00 C ATOM 0 HA PRO A 17 -4.456 -2.272 16.066 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.024 -3.579 16.283 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.531 -4.399 15.928 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.261 -3.830 14.122 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.559 -4.991 13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.309 -2.453 12.608 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.662 -3.562 12.499 1.00 0.00 H new ATOM 237 N PRO A 18 -2.301 -1.252 17.279 1.00 0.00 N ATOM 238 CA PRO A 18 -1.494 -0.223 17.914 1.00 0.00 C ATOM 239 C PRO A 18 -0.050 -0.272 17.412 1.00 0.00 C ATOM 240 O PRO A 18 0.656 -1.254 17.635 1.00 0.00 O ATOM 241 CB PRO A 18 -1.615 -0.492 19.404 1.00 0.00 C ATOM 242 CG PRO A 18 -2.100 -1.929 19.530 1.00 0.00 C ATOM 243 CD PRO A 18 -2.592 -2.376 18.163 1.00 0.00 C ATOM 0 HA PRO A 18 -1.834 0.785 17.677 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.656 -0.358 19.904 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.317 0.200 19.870 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.293 -2.575 19.876 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.901 -1.998 20.266 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.081 -3.281 17.835 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.658 -2.601 18.180 1.00 0.00 H new ATOM 251 N GLY A 19 0.348 0.802 16.743 1.00 0.00 N ATOM 252 CA GLY A 19 1.695 0.894 16.209 1.00 0.00 C ATOM 253 C GLY A 19 1.733 1.792 14.972 1.00 0.00 C ATOM 254 O GLY A 19 2.488 2.763 14.929 1.00 0.00 O ATOM 0 H GLY A 19 -0.240 1.615 16.559 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.366 1.290 16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.057 -0.101 15.952 1.00 0.00 H new ATOM 258 N GLU A 20 0.911 1.438 13.996 1.00 0.00 N ATOM 259 CA GLU A 20 0.842 2.200 12.761 1.00 0.00 C ATOM 260 C GLU A 20 0.274 3.595 13.029 1.00 0.00 C ATOM 261 O GLU A 20 -0.927 3.749 13.246 1.00 0.00 O ATOM 262 CB GLU A 20 0.011 1.463 11.708 1.00 0.00 C ATOM 263 CG GLU A 20 0.620 0.096 11.388 1.00 0.00 C ATOM 264 CD GLU A 20 0.044 -0.987 12.304 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.088 -2.177 11.960 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.462 -0.554 13.409 1.00 0.00 O ATOM 0 H GLU A 20 0.286 0.633 14.035 1.00 0.00 H new ATOM 0 HA GLU A 20 1.853 2.310 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.010 1.335 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.045 2.062 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.422 -0.160 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.703 0.139 11.506 1.00 0.00 H new ATOM 274 N ASN A 21 1.163 4.576 13.006 1.00 0.00 N ATOM 275 CA ASN A 21 0.766 5.953 13.245 1.00 0.00 C ATOM 276 C ASN A 21 0.303 6.581 11.929 1.00 0.00 C ATOM 277 O ASN A 21 0.046 7.783 11.867 1.00 0.00 O ATOM 278 CB ASN A 21 1.939 6.780 13.778 1.00 0.00 C ATOM 279 CG ASN A 21 2.684 6.028 14.881 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.831 6.305 15.192 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.970 5.065 15.456 1.00 0.00 N ATOM 0 H ASN A 21 2.158 4.445 12.825 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.037 5.950 13.982 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.625 7.011 12.963 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.572 7.731 14.165 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.378 4.506 16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.015 4.885 15.148 1.00 0.00 H new ATOM 288 N LEU A 22 0.212 5.741 10.910 1.00 0.00 N ATOM 289 CA LEU A 22 -0.215 6.199 9.598 1.00 0.00 C ATOM 290 C LEU A 22 -0.353 4.996 8.662 1.00 0.00 C ATOM 291 O LEU A 22 -0.277 3.850 9.103 1.00 0.00 O ATOM 292 CB LEU A 22 0.732 7.280 9.074 1.00 0.00 C ATOM 293 CG LEU A 22 2.143 6.815 8.706 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.410 7.008 7.211 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.193 7.514 9.571 1.00 0.00 C ATOM 0 H LEU A 22 0.426 4.745 10.965 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.196 6.669 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.280 7.735 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.814 8.061 9.830 1.00 0.00 H new ATOM 0 HG LEU A 22 2.216 5.747 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.419 6.670 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.689 6.428 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.312 8.064 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.187 7.166 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.130 8.592 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.012 7.283 10.621 1.00 0.00 H new ATOM 307 N CYS A 23 -0.552 5.297 7.388 1.00 0.00 N ATOM 308 CA CYS A 23 -0.703 4.256 6.387 1.00 0.00 C ATOM 309 C CYS A 23 0.600 4.166 5.589 1.00 0.00 C ATOM 310 O CYS A 23 1.595 4.794 5.946 1.00 0.00 O ATOM 311 CB CYS A 23 -1.909 4.511 5.480 1.00 0.00 C ATOM 312 SG CYS A 23 -3.228 5.363 6.420 1.00 0.00 S ATOM 0 H CYS A 23 -0.612 6.249 7.026 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.896 3.302 6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.610 5.118 4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.284 3.567 5.085 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.146 4.505 6.755 1.00 0.00 H new ATOM 318 N TYR A 24 0.551 3.378 4.525 1.00 0.00 N ATOM 319 CA TYR A 24 1.716 3.196 3.675 1.00 0.00 C ATOM 320 C TYR A 24 1.332 2.518 2.358 1.00 0.00 C ATOM 321 O TYR A 24 0.222 2.006 2.220 1.00 0.00 O ATOM 322 CB TYR A 24 2.665 2.279 4.449 1.00 0.00 C ATOM 323 CG TYR A 24 2.271 0.800 4.411 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.743 -0.013 3.402 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.444 0.282 5.386 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.371 -1.405 3.367 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.073 -1.109 5.350 1.00 0.00 C ATOM 328 CZ TYR A 24 1.554 -1.884 4.343 1.00 0.00 C ATOM 329 OH TYR A 24 1.204 -3.197 4.309 1.00 0.00 O ATOM 0 H TYR A 24 -0.276 2.859 4.232 1.00 0.00 H new ATOM 0 HA TYR A 24 2.169 4.158 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.670 2.387 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.704 2.607 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.391 0.393 2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.075 0.919 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.733 -2.053 2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.426 -1.527 6.107 1.00 0.00 H new ATOM 0 HH TYR A 24 0.618 -3.399 5.068 1.00 0.00 H new ATOM 339 N ARG A 25 2.272 2.537 1.424 1.00 0.00 N ATOM 340 CA ARG A 25 2.047 1.930 0.123 1.00 0.00 C ATOM 341 C ARG A 25 3.279 1.136 -0.314 1.00 0.00 C ATOM 342 O ARG A 25 4.244 1.708 -0.820 1.00 0.00 O ATOM 343 CB ARG A 25 1.733 2.993 -0.933 1.00 0.00 C ATOM 344 CG ARG A 25 0.931 4.148 -0.327 1.00 0.00 C ATOM 345 CD ARG A 25 1.067 5.413 -1.177 1.00 0.00 C ATOM 346 NE ARG A 25 -0.271 5.883 -1.602 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.501 6.594 -2.726 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.516 6.924 -3.549 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.737 6.962 -3.009 1.00 0.00 N ATOM 0 H ARG A 25 3.191 2.963 1.543 1.00 0.00 H new ATOM 0 HA ARG A 25 1.193 1.259 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.662 3.374 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.169 2.543 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.119 3.867 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.281 4.347 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.571 6.193 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.685 5.209 -2.052 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.069 5.655 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.468 6.636 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.333 7.462 -4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.501 6.709 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.928 7.500 -3.854 1.00 0.00 H new ATOM 363 N LYS A 26 3.208 -0.170 -0.102 1.00 0.00 N ATOM 364 CA LYS A 26 4.306 -1.048 -0.466 1.00 0.00 C ATOM 365 C LYS A 26 4.214 -1.381 -1.956 1.00 0.00 C ATOM 366 O LYS A 26 3.136 -1.314 -2.546 1.00 0.00 O ATOM 367 CB LYS A 26 4.328 -2.282 0.439 1.00 0.00 C ATOM 368 CG LYS A 26 5.616 -2.330 1.267 1.00 0.00 C ATOM 369 CD LYS A 26 5.559 -3.456 2.301 1.00 0.00 C ATOM 370 CE LYS A 26 5.281 -2.900 3.699 1.00 0.00 C ATOM 371 NZ LYS A 26 6.195 -3.512 4.690 1.00 0.00 N ATOM 0 H LYS A 26 2.406 -0.641 0.318 1.00 0.00 H new ATOM 0 HA LYS A 26 5.262 -0.548 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.464 -2.266 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.247 -3.184 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.471 -2.479 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.765 -1.375 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.780 -4.168 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.503 -4.001 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.408 -1.817 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.246 -3.100 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.994 -3.124 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.055 -4.542 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.180 -3.300 4.431 1.00 0.00 H new ATOM 385 N MET A 27 5.359 -1.733 -2.524 1.00 0.00 N ATOM 386 CA MET A 27 5.420 -2.077 -3.934 1.00 0.00 C ATOM 387 C MET A 27 6.525 -3.099 -4.201 1.00 0.00 C ATOM 388 O MET A 27 7.540 -3.119 -3.505 1.00 0.00 O ATOM 389 CB MET A 27 5.685 -0.812 -4.756 1.00 0.00 C ATOM 390 CG MET A 27 4.435 -0.394 -5.533 1.00 0.00 C ATOM 391 SD MET A 27 4.475 1.364 -5.852 1.00 0.00 S ATOM 392 CE MET A 27 2.782 1.626 -6.353 1.00 0.00 C ATOM 0 H MET A 27 6.251 -1.787 -2.033 1.00 0.00 H new ATOM 0 HA MET A 27 4.466 -2.517 -4.224 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.995 -0.002 -4.095 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.507 -0.990 -5.450 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.381 -0.942 -6.474 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.541 -0.649 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.419 2.563 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.727 1.673 -7.441 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.165 0.803 -5.994 1.00 0.00 H new ATOM 402 N TRP A 28 6.293 -3.925 -5.211 1.00 0.00 N ATOM 403 CA TRP A 28 7.256 -4.949 -5.580 1.00 0.00 C ATOM 404 C TRP A 28 6.870 -5.487 -6.959 1.00 0.00 C ATOM 405 O TRP A 28 7.142 -4.851 -7.975 1.00 0.00 O ATOM 406 CB TRP A 28 7.331 -6.040 -4.511 1.00 0.00 C ATOM 407 CG TRP A 28 6.013 -6.276 -3.769 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.854 -6.728 -4.269 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.766 -6.053 -2.366 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.882 -6.812 -3.294 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.453 -6.388 -2.099 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.621 -5.585 -1.354 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.881 -6.291 -0.825 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.033 -5.492 -0.086 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.715 -5.826 0.198 1.00 0.00 C ATOM 0 H TRP A 28 5.451 -3.906 -5.786 1.00 0.00 H new ATOM 0 HA TRP A 28 8.261 -4.531 -5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.644 -6.973 -4.980 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.101 -5.773 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.701 -6.993 -5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.921 -7.127 -3.425 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.651 -5.318 -1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.851 -6.561 -0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.647 -5.136 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.335 -5.727 1.204 1.00 0.00 H new ATOM 426 N CYS A 29 6.243 -6.654 -6.948 1.00 0.00 N ATOM 427 CA CYS A 29 5.816 -7.285 -8.187 1.00 0.00 C ATOM 428 C CYS A 29 5.035 -8.552 -7.834 1.00 0.00 C ATOM 429 O CYS A 29 5.570 -9.464 -7.206 1.00 0.00 O ATOM 430 CB CYS A 29 7.003 -7.585 -9.104 1.00 0.00 C ATOM 431 SG CYS A 29 6.908 -6.546 -10.608 1.00 0.00 S ATOM 0 H CYS A 29 6.020 -7.179 -6.102 1.00 0.00 H new ATOM 0 HA CYS A 29 5.172 -6.604 -8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.938 -7.393 -8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.003 -8.640 -9.380 1.00 0.00 H new ATOM 0 HG CYS A 29 7.400 -7.199 -11.619 1.00 0.00 H new ATOM 437 N ASP A 30 3.776 -8.567 -8.254 1.00 0.00 N ATOM 438 CA ASP A 30 2.914 -9.706 -7.991 1.00 0.00 C ATOM 439 C ASP A 30 3.649 -10.994 -8.365 1.00 0.00 C ATOM 440 O ASP A 30 4.780 -10.951 -8.845 1.00 0.00 O ATOM 441 CB ASP A 30 1.634 -9.633 -8.826 1.00 0.00 C ATOM 442 CG ASP A 30 0.549 -10.637 -8.435 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.492 -11.102 -7.287 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.274 -10.946 -9.378 1.00 0.00 O ATOM 0 H ASP A 30 3.334 -7.809 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 30 2.655 -9.695 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.223 -8.627 -8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.892 -9.789 -9.873 1.00 0.00 H new ATOM 450 N ALA A 31 2.977 -12.112 -8.131 1.00 0.00 N ATOM 451 CA ALA A 31 3.552 -13.410 -8.436 1.00 0.00 C ATOM 452 C ALA A 31 3.570 -13.610 -9.953 1.00 0.00 C ATOM 453 O ALA A 31 4.031 -14.641 -10.441 1.00 0.00 O ATOM 454 CB ALA A 31 2.760 -14.502 -7.714 1.00 0.00 C ATOM 0 H ALA A 31 2.038 -12.145 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 31 4.582 -13.467 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.192 -15.476 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.801 -14.331 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.722 -14.478 -8.046 1.00 0.00 H new ATOM 460 N PHE A 32 3.063 -12.607 -10.656 1.00 0.00 N ATOM 461 CA PHE A 32 3.016 -12.660 -12.108 1.00 0.00 C ATOM 462 C PHE A 32 3.817 -11.513 -12.724 1.00 0.00 C ATOM 463 O PHE A 32 4.078 -11.509 -13.926 1.00 0.00 O ATOM 464 CB PHE A 32 1.548 -12.517 -12.512 1.00 0.00 C ATOM 465 CG PHE A 32 0.676 -13.715 -12.131 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.547 -14.075 -10.826 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.031 -14.421 -13.098 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.261 -15.187 -10.472 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.777 -15.535 -12.745 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.906 -15.893 -11.439 1.00 0.00 C ATOM 0 H PHE A 32 2.682 -11.754 -10.247 1.00 0.00 H new ATOM 0 HA PHE A 32 3.446 -13.597 -12.461 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.139 -11.621 -12.045 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.492 -12.369 -13.590 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.060 -13.514 -10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.133 -14.135 -14.134 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.364 -15.472 -9.435 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.288 -16.097 -13.513 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.521 -16.739 -11.170 1.00 0.00 H new ATOM 480 N CYS A 33 4.186 -10.566 -11.873 1.00 0.00 N ATOM 481 CA CYS A 33 4.953 -9.416 -12.320 1.00 0.00 C ATOM 482 C CYS A 33 4.447 -9.010 -13.706 1.00 0.00 C ATOM 483 O CYS A 33 5.212 -8.995 -14.671 1.00 0.00 O ATOM 484 CB CYS A 33 6.456 -9.703 -12.324 1.00 0.00 C ATOM 485 SG CYS A 33 7.331 -8.451 -13.330 1.00 0.00 S ATOM 0 H CYS A 33 3.968 -10.572 -10.877 1.00 0.00 H new ATOM 0 HA CYS A 33 4.810 -8.589 -11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.839 -9.693 -11.303 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.643 -10.699 -12.725 1.00 0.00 H new ATOM 0 HG CYS A 33 6.921 -8.521 -14.562 1.00 0.00 H new ATOM 491 N SER A 34 3.162 -8.691 -13.763 1.00 0.00 N ATOM 492 CA SER A 34 2.546 -8.287 -15.013 1.00 0.00 C ATOM 493 C SER A 34 3.245 -7.042 -15.564 1.00 0.00 C ATOM 494 O SER A 34 4.144 -6.499 -14.926 1.00 0.00 O ATOM 495 CB SER A 34 1.051 -8.017 -14.830 1.00 0.00 C ATOM 496 OG SER A 34 0.350 -9.175 -14.385 1.00 0.00 O ATOM 0 H SER A 34 2.531 -8.705 -12.962 1.00 0.00 H new ATOM 0 HA SER A 34 2.656 -9.104 -15.726 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.914 -7.211 -14.109 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.626 -7.676 -15.774 1.00 0.00 H new ATOM 0 HG SER A 34 -0.600 -8.961 -14.279 1.00 0.00 H new ATOM 502 N SER A 35 2.806 -6.629 -16.744 1.00 0.00 N ATOM 503 CA SER A 35 3.380 -5.460 -17.389 1.00 0.00 C ATOM 504 C SER A 35 2.920 -4.189 -16.671 1.00 0.00 C ATOM 505 O SER A 35 3.326 -3.085 -17.034 1.00 0.00 O ATOM 506 CB SER A 35 2.997 -5.404 -18.869 1.00 0.00 C ATOM 507 OG SER A 35 3.325 -6.611 -19.551 1.00 0.00 O ATOM 0 H SER A 35 2.059 -7.083 -17.270 1.00 0.00 H new ATOM 0 HA SER A 35 4.466 -5.532 -17.326 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.927 -5.215 -18.960 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.510 -4.568 -19.345 1.00 0.00 H new ATOM 0 HG SER A 35 3.063 -6.536 -20.492 1.00 0.00 H new ATOM 513 N ARG A 36 2.077 -4.386 -15.669 1.00 0.00 N ATOM 514 CA ARG A 36 1.555 -3.269 -14.898 1.00 0.00 C ATOM 515 C ARG A 36 2.612 -2.765 -13.915 1.00 0.00 C ATOM 516 O ARG A 36 2.345 -1.866 -13.118 1.00 0.00 O ATOM 517 CB ARG A 36 0.299 -3.673 -14.124 1.00 0.00 C ATOM 518 CG ARG A 36 -0.647 -4.493 -15.003 1.00 0.00 C ATOM 519 CD ARG A 36 -1.554 -3.580 -15.832 1.00 0.00 C ATOM 520 NE ARG A 36 -0.841 -2.327 -16.167 1.00 0.00 N ATOM 521 CZ ARG A 36 -0.685 -1.856 -17.421 1.00 0.00 C ATOM 522 NH1 ARG A 36 -1.193 -2.531 -18.475 1.00 0.00 N ATOM 523 NH2 ARG A 36 -0.030 -0.725 -17.604 1.00 0.00 N ATOM 0 H ARG A 36 1.742 -5.302 -15.372 1.00 0.00 H new ATOM 0 HA ARG A 36 1.296 -2.474 -15.598 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.580 -4.254 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.214 -2.781 -13.765 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.068 -5.136 -15.666 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.256 -5.146 -14.378 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.859 -4.090 -16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.463 -3.353 -15.275 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.442 -1.785 -15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.699 -3.404 -18.326 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.071 -2.168 -19.420 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.350 -0.220 -16.803 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.096 -0.356 -18.546 1.00 0.00 H new ATOM 537 N GLY A 37 3.790 -3.364 -14.002 1.00 0.00 N ATOM 538 CA GLY A 37 4.889 -2.986 -13.129 1.00 0.00 C ATOM 539 C GLY A 37 4.849 -3.781 -11.823 1.00 0.00 C ATOM 540 O GLY A 37 4.847 -5.011 -11.840 1.00 0.00 O ATOM 0 H GLY A 37 4.008 -4.109 -14.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.838 -3.160 -13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.835 -1.919 -12.912 1.00 0.00 H new ATOM 544 N LYS A 38 4.819 -3.046 -10.720 1.00 0.00 N ATOM 545 CA LYS A 38 4.779 -3.666 -9.407 1.00 0.00 C ATOM 546 C LYS A 38 3.335 -3.698 -8.905 1.00 0.00 C ATOM 547 O LYS A 38 2.404 -3.429 -9.663 1.00 0.00 O ATOM 548 CB LYS A 38 5.747 -2.964 -8.453 1.00 0.00 C ATOM 549 CG LYS A 38 6.926 -2.357 -9.217 1.00 0.00 C ATOM 550 CD LYS A 38 7.458 -3.331 -10.269 1.00 0.00 C ATOM 551 CE LYS A 38 8.986 -3.291 -10.330 1.00 0.00 C ATOM 552 NZ LYS A 38 9.567 -4.359 -9.485 1.00 0.00 N ATOM 0 H LYS A 38 4.822 -2.026 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 38 5.119 -4.700 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.221 -2.181 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.115 -3.676 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.613 -1.431 -9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.723 -2.100 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.126 -4.342 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.045 -3.079 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.318 -3.414 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.344 -2.318 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.383 -3.982 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.850 -4.698 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.877 -5.148 -10.087 1.00 0.00 H new ATOM 566 N VAL A 39 3.192 -4.026 -7.631 1.00 0.00 N ATOM 567 CA VAL A 39 1.876 -4.097 -7.019 1.00 0.00 C ATOM 568 C VAL A 39 1.664 -2.870 -6.130 1.00 0.00 C ATOM 569 O VAL A 39 2.372 -1.872 -6.265 1.00 0.00 O ATOM 570 CB VAL A 39 1.721 -5.417 -6.260 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.246 -5.808 -6.138 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.530 -6.531 -6.927 1.00 0.00 C ATOM 0 H VAL A 39 3.966 -4.246 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 39 1.099 -4.083 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 39 2.115 -5.274 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.163 -6.749 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.293 -5.029 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.183 -5.924 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.402 -7.458 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.180 -6.673 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.585 -6.257 -6.939 1.00 0.00 H new ATOM 582 N VAL A 40 0.688 -2.982 -5.242 1.00 0.00 N ATOM 583 CA VAL A 40 0.374 -1.893 -4.332 1.00 0.00 C ATOM 584 C VAL A 40 -0.261 -2.461 -3.062 1.00 0.00 C ATOM 585 O VAL A 40 -1.473 -2.368 -2.876 1.00 0.00 O ATOM 586 CB VAL A 40 -0.512 -0.863 -5.034 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.364 0.518 -4.391 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.204 -0.804 -6.532 1.00 0.00 C ATOM 0 H VAL A 40 0.103 -3.811 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 40 1.283 -1.371 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.549 -1.179 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.005 1.231 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.655 0.464 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.674 0.844 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.848 -0.064 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.839 -0.524 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.384 -1.782 -6.979 1.00 0.00 H new ATOM 598 N GLU A 41 0.586 -3.038 -2.222 1.00 0.00 N ATOM 599 CA GLU A 41 0.121 -3.622 -0.975 1.00 0.00 C ATOM 600 C GLU A 41 0.153 -2.580 0.144 1.00 0.00 C ATOM 601 O GLU A 41 0.953 -2.686 1.073 1.00 0.00 O ATOM 602 CB GLU A 41 0.952 -4.852 -0.603 1.00 0.00 C ATOM 603 CG GLU A 41 1.229 -5.719 -1.832 1.00 0.00 C ATOM 604 CD GLU A 41 1.038 -7.203 -1.511 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.863 -7.566 -0.339 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.073 -7.991 -2.532 1.00 0.00 O ATOM 0 H GLU A 41 1.591 -3.114 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.910 -3.948 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.895 -4.537 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.424 -5.439 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.561 -5.430 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.247 -5.547 -2.181 1.00 0.00 H new ATOM 614 N LEU A 42 -0.725 -1.597 0.018 1.00 0.00 N ATOM 615 CA LEU A 42 -0.807 -0.535 1.007 1.00 0.00 C ATOM 616 C LEU A 42 -1.302 -1.118 2.333 1.00 0.00 C ATOM 617 O LEU A 42 -1.549 -2.318 2.435 1.00 0.00 O ATOM 618 CB LEU A 42 -1.665 0.620 0.485 1.00 0.00 C ATOM 619 CG LEU A 42 -1.630 0.848 -1.027 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.875 0.267 -1.698 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.444 2.332 -1.352 1.00 0.00 C ATOM 0 H LEU A 42 -1.386 -1.513 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 42 0.179 -0.110 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.699 0.442 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.344 1.537 0.979 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.769 0.318 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.825 0.443 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.924 -0.805 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.765 0.749 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.422 2.468 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.271 2.903 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.505 2.683 -0.923 1.00 0.00 H new ATOM 633 N GLY A 43 -1.432 -0.239 3.316 1.00 0.00 N ATOM 634 CA GLY A 43 -1.893 -0.650 4.632 1.00 0.00 C ATOM 635 C GLY A 43 -1.494 0.373 5.697 1.00 0.00 C ATOM 636 O GLY A 43 -1.440 1.571 5.424 1.00 0.00 O ATOM 0 H GLY A 43 -1.226 0.756 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.977 -0.766 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.471 -1.623 4.881 1.00 0.00 H new ATOM 640 N CYS A 44 -1.224 -0.138 6.890 1.00 0.00 N ATOM 641 CA CYS A 44 -0.831 0.717 7.998 1.00 0.00 C ATOM 642 C CYS A 44 0.631 0.422 8.337 1.00 0.00 C ATOM 643 O CYS A 44 1.130 -0.668 8.058 1.00 0.00 O ATOM 644 CB CYS A 44 -1.746 0.529 9.209 1.00 0.00 C ATOM 645 SG CYS A 44 -3.488 0.399 8.663 1.00 0.00 S ATOM 0 H CYS A 44 -1.270 -1.132 7.113 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.932 1.763 7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.460 -0.370 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.633 1.369 9.895 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.930 1.578 8.339 1.00 0.00 H new ATOM 651 N ALA A 45 1.279 1.413 8.933 1.00 0.00 N ATOM 652 CA ALA A 45 2.674 1.274 9.312 1.00 0.00 C ATOM 653 C ALA A 45 3.065 2.429 10.236 1.00 0.00 C ATOM 654 O ALA A 45 2.583 3.549 10.073 1.00 0.00 O ATOM 655 CB ALA A 45 3.543 1.214 8.054 1.00 0.00 C ATOM 0 H ALA A 45 0.863 2.315 9.162 1.00 0.00 H new ATOM 0 HA ALA A 45 2.831 0.345 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.590 1.110 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.246 0.359 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.414 2.130 7.478 1.00 0.00 H new ATOM 661 N ALA A 46 3.934 2.116 11.186 1.00 0.00 N ATOM 662 CA ALA A 46 4.395 3.115 12.138 1.00 0.00 C ATOM 663 C ALA A 46 4.922 4.333 11.375 1.00 0.00 C ATOM 664 O ALA A 46 4.587 5.469 11.705 1.00 0.00 O ATOM 665 CB ALA A 46 5.452 2.497 13.054 1.00 0.00 C ATOM 0 H ALA A 46 4.331 1.186 11.318 1.00 0.00 H new ATOM 0 HA ALA A 46 3.574 3.452 12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.798 3.245 13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.019 1.655 13.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.294 2.150 12.455 1.00 0.00 H new ATOM 671 N THR A 47 5.740 4.053 10.371 1.00 0.00 N ATOM 672 CA THR A 47 6.320 5.111 9.560 1.00 0.00 C ATOM 673 C THR A 47 6.810 4.552 8.224 1.00 0.00 C ATOM 674 O THR A 47 6.987 3.343 8.081 1.00 0.00 O ATOM 675 CB THR A 47 7.422 5.786 10.380 1.00 0.00 C ATOM 676 OG1 THR A 47 8.211 4.700 10.858 1.00 0.00 O ATOM 677 CG2 THR A 47 6.886 6.445 11.652 1.00 0.00 C ATOM 0 H THR A 47 6.015 3.109 10.100 1.00 0.00 H new ATOM 0 HA THR A 47 5.577 5.867 9.305 1.00 0.00 H new ATOM 0 HB THR A 47 7.923 6.535 9.767 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.951 5.047 11.399 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.709 6.909 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.152 7.206 11.386 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.414 5.691 12.282 1.00 0.00 H new ATOM 685 N CYS A 48 7.016 5.458 7.280 1.00 0.00 N ATOM 686 CA CYS A 48 7.484 5.069 5.960 1.00 0.00 C ATOM 687 C CYS A 48 8.438 3.884 6.117 1.00 0.00 C ATOM 688 O CYS A 48 9.618 4.066 6.413 1.00 0.00 O ATOM 689 CB CYS A 48 8.143 6.238 5.226 1.00 0.00 C ATOM 690 SG CYS A 48 7.720 7.815 6.054 1.00 0.00 S ATOM 0 H CYS A 48 6.868 6.460 7.402 1.00 0.00 H new ATOM 0 HA CYS A 48 6.635 4.771 5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.225 6.105 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.809 6.261 4.189 1.00 0.00 H new ATOM 0 HG CYS A 48 6.454 7.824 6.349 1.00 0.00 H new ATOM 696 N PRO A 49 7.877 2.663 5.907 1.00 0.00 N ATOM 697 CA PRO A 49 8.664 1.446 6.023 1.00 0.00 C ATOM 698 C PRO A 49 9.584 1.271 4.812 1.00 0.00 C ATOM 699 O PRO A 49 10.387 0.342 4.768 1.00 0.00 O ATOM 700 CB PRO A 49 7.645 0.329 6.162 1.00 0.00 C ATOM 701 CG PRO A 49 6.330 0.899 5.655 1.00 0.00 C ATOM 702 CD PRO A 49 6.483 2.408 5.556 1.00 0.00 C ATOM 0 HA PRO A 49 9.337 1.460 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.942 -0.545 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.557 0.007 7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.081 0.476 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.516 0.642 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.256 2.764 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.803 2.920 6.237 1.00 0.00 H new ATOM 710 N SER A 50 9.433 2.179 3.859 1.00 0.00 N ATOM 711 CA SER A 50 10.237 2.137 2.650 1.00 0.00 C ATOM 712 C SER A 50 11.555 1.408 2.925 1.00 0.00 C ATOM 713 O SER A 50 12.165 1.597 3.976 1.00 0.00 O ATOM 714 CB SER A 50 10.510 3.545 2.120 1.00 0.00 C ATOM 715 OG SER A 50 10.071 3.703 0.773 1.00 0.00 O ATOM 0 H SER A 50 8.765 2.949 3.900 1.00 0.00 H new ATOM 0 HA SER A 50 9.680 1.594 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.006 4.275 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.578 3.754 2.180 1.00 0.00 H new ATOM 0 HG SER A 50 9.158 3.357 0.684 1.00 0.00 H new ATOM 721 N LYS A 51 11.956 0.592 1.962 1.00 0.00 N ATOM 722 CA LYS A 51 13.189 -0.165 2.087 1.00 0.00 C ATOM 723 C LYS A 51 14.329 0.614 1.429 1.00 0.00 C ATOM 724 O LYS A 51 14.694 1.695 1.889 1.00 0.00 O ATOM 725 CB LYS A 51 13.009 -1.579 1.532 1.00 0.00 C ATOM 726 CG LYS A 51 12.467 -2.525 2.605 1.00 0.00 C ATOM 727 CD LYS A 51 13.606 -3.134 3.425 1.00 0.00 C ATOM 728 CE LYS A 51 14.241 -2.088 4.342 1.00 0.00 C ATOM 729 NZ LYS A 51 13.219 -1.481 5.223 1.00 0.00 N ATOM 0 H LYS A 51 11.448 0.438 1.091 1.00 0.00 H new ATOM 0 HA LYS A 51 13.453 -0.292 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.325 -1.556 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.964 -1.952 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.789 -1.983 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.887 -3.319 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.226 -3.963 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.363 -3.543 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.021 -2.551 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.719 -1.313 3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.687 -0.902 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.585 -0.881 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.666 -2.233 5.682 1.00 0.00 H new ATOM 743 N LYS A 52 14.861 0.033 0.363 1.00 0.00 N ATOM 744 CA LYS A 52 15.953 0.659 -0.364 1.00 0.00 C ATOM 745 C LYS A 52 15.967 0.139 -1.803 1.00 0.00 C ATOM 746 O LYS A 52 15.971 0.924 -2.750 1.00 0.00 O ATOM 747 CB LYS A 52 17.276 0.455 0.376 1.00 0.00 C ATOM 748 CG LYS A 52 17.183 0.966 1.816 1.00 0.00 C ATOM 749 CD LYS A 52 16.869 -0.177 2.783 1.00 0.00 C ATOM 750 CE LYS A 52 16.740 0.340 4.218 1.00 0.00 C ATOM 751 NZ LYS A 52 18.077 0.590 4.801 1.00 0.00 N ATOM 0 H LYS A 52 14.556 -0.864 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 52 15.806 1.738 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.536 -0.603 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.075 0.979 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.123 1.439 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.408 1.729 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.942 -0.667 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.657 -0.928 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.155 1.259 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.202 -0.387 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.971 0.940 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.623 -0.295 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.577 1.301 4.230 1.00 0.00 H new ATOM 765 N PRO A 53 15.975 -1.215 -1.925 1.00 0.00 N ATOM 766 CA PRO A 53 15.989 -1.849 -3.232 1.00 0.00 C ATOM 767 C PRO A 53 14.613 -1.762 -3.897 1.00 0.00 C ATOM 768 O PRO A 53 14.203 -0.693 -4.344 1.00 0.00 O ATOM 769 CB PRO A 53 16.434 -3.279 -2.971 1.00 0.00 C ATOM 770 CG PRO A 53 16.205 -3.522 -1.488 1.00 0.00 C ATOM 771 CD PRO A 53 15.972 -2.175 -0.824 1.00 0.00 C ATOM 0 HA PRO A 53 16.665 -1.358 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.861 -3.983 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.484 -3.415 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.346 -4.176 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.067 -4.021 -1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.025 -2.157 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.755 -1.950 -0.100 1.00 0.00 H new ATOM 779 N TYR A 54 13.940 -2.903 -3.942 1.00 0.00 N ATOM 780 CA TYR A 54 12.622 -2.970 -4.545 1.00 0.00 C ATOM 781 C TYR A 54 11.544 -2.513 -3.560 1.00 0.00 C ATOM 782 O TYR A 54 10.742 -1.634 -3.875 1.00 0.00 O ATOM 783 CB TYR A 54 12.389 -4.443 -4.890 1.00 0.00 C ATOM 784 CG TYR A 54 12.965 -5.420 -3.863 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.321 -5.673 -3.836 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.126 -6.048 -2.963 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.862 -6.593 -2.870 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.670 -6.968 -1.997 1.00 0.00 C ATOM 789 CZ TYR A 54 14.010 -7.194 -1.998 1.00 0.00 C ATOM 790 OH TYR A 54 14.522 -8.063 -1.084 1.00 0.00 O ATOM 0 H TYR A 54 14.284 -3.788 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 54 12.568 -2.322 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.317 -4.619 -4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.832 -4.652 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.976 -5.181 -4.539 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.065 -5.850 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.921 -6.801 -2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.027 -7.467 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 54 13.797 -8.416 -0.526 1.00 0.00 H new ATOM 800 N GLU A 55 11.558 -3.130 -2.388 1.00 0.00 N ATOM 801 CA GLU A 55 10.592 -2.797 -1.355 1.00 0.00 C ATOM 802 C GLU A 55 10.298 -1.297 -1.367 1.00 0.00 C ATOM 803 O GLU A 55 10.735 -0.568 -0.476 1.00 0.00 O ATOM 804 CB GLU A 55 11.083 -3.250 0.022 1.00 0.00 C ATOM 805 CG GLU A 55 10.669 -4.695 0.305 1.00 0.00 C ATOM 806 CD GLU A 55 10.938 -5.067 1.765 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.941 -5.733 2.060 1.00 0.00 O ATOM 808 OE2 GLU A 55 10.061 -4.637 2.607 1.00 0.00 O ATOM 0 H GLU A 55 12.223 -3.859 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 55 9.665 -3.330 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.168 -3.163 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.675 -2.594 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.610 -4.824 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.217 -5.370 -0.353 1.00 0.00 H new ATOM 816 N GLU A 56 9.560 -0.878 -2.383 1.00 0.00 N ATOM 817 CA GLU A 56 9.203 0.524 -2.523 1.00 0.00 C ATOM 818 C GLU A 56 7.922 0.824 -1.743 1.00 0.00 C ATOM 819 O GLU A 56 6.822 0.706 -2.280 1.00 0.00 O ATOM 820 CB GLU A 56 9.051 0.908 -3.996 1.00 0.00 C ATOM 821 CG GLU A 56 9.945 2.099 -4.348 1.00 0.00 C ATOM 822 CD GLU A 56 9.214 3.081 -5.265 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.471 3.947 -4.780 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.439 2.921 -6.524 1.00 0.00 O ATOM 0 H GLU A 56 9.199 -1.485 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 56 10.010 1.128 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.309 0.057 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.010 1.156 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.254 2.609 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.852 1.745 -4.838 1.00 0.00 H new ATOM 832 N VAL A 57 8.107 1.209 -0.488 1.00 0.00 N ATOM 833 CA VAL A 57 6.979 1.527 0.371 1.00 0.00 C ATOM 834 C VAL A 57 6.780 3.045 0.401 1.00 0.00 C ATOM 835 O VAL A 57 7.706 3.801 0.116 1.00 0.00 O ATOM 836 CB VAL A 57 7.194 0.925 1.761 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.869 0.803 2.514 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.901 -0.428 1.669 1.00 0.00 C ATOM 0 H VAL A 57 9.021 1.308 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 57 6.063 1.086 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 57 7.838 1.600 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.049 0.372 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.422 1.791 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.191 0.159 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.042 -0.834 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.294 -1.116 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.872 -0.299 1.190 1.00 0.00 H new ATOM 848 N THR A 58 5.565 3.442 0.749 1.00 0.00 N ATOM 849 CA THR A 58 5.231 4.856 0.820 1.00 0.00 C ATOM 850 C THR A 58 4.613 5.190 2.179 1.00 0.00 C ATOM 851 O THR A 58 4.989 4.608 3.196 1.00 0.00 O ATOM 852 CB THR A 58 4.317 5.185 -0.362 1.00 0.00 C ATOM 853 OG1 THR A 58 4.786 4.341 -1.410 1.00 0.00 O ATOM 854 CG2 THR A 58 4.537 6.601 -0.895 1.00 0.00 C ATOM 0 H THR A 58 4.800 2.810 0.985 1.00 0.00 H new ATOM 0 HA THR A 58 6.123 5.478 0.743 1.00 0.00 H new ATOM 0 HB THR A 58 3.276 5.069 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.506 3.418 -1.237 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.864 6.783 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.335 7.323 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.569 6.708 -1.229 1.00 0.00 H new ATOM 862 N CYS A 59 3.676 6.126 2.152 1.00 0.00 N ATOM 863 CA CYS A 59 3.002 6.545 3.369 1.00 0.00 C ATOM 864 C CYS A 59 1.614 7.067 2.996 1.00 0.00 C ATOM 865 O CYS A 59 1.300 7.215 1.815 1.00 0.00 O ATOM 866 CB CYS A 59 3.818 7.590 4.135 1.00 0.00 C ATOM 867 SG CYS A 59 5.082 6.763 5.169 1.00 0.00 S ATOM 0 H CYS A 59 3.368 6.606 1.307 1.00 0.00 H new ATOM 0 HA CYS A 59 2.899 5.694 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.299 8.273 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.159 8.190 4.762 1.00 0.00 H new ATOM 0 HG CYS A 59 6.242 7.311 4.958 1.00 0.00 H new ATOM 873 N CYS A 60 0.819 7.331 4.022 1.00 0.00 N ATOM 874 CA CYS A 60 -0.528 7.833 3.816 1.00 0.00 C ATOM 875 C CYS A 60 -1.180 8.036 5.185 1.00 0.00 C ATOM 876 O CYS A 60 -1.406 7.073 5.916 1.00 0.00 O ATOM 877 CB CYS A 60 -1.349 6.898 2.925 1.00 0.00 C ATOM 878 SG CYS A 60 -3.005 6.630 3.657 1.00 0.00 S ATOM 0 H CYS A 60 1.083 7.206 4.999 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.487 8.787 3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.448 7.327 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.834 5.944 2.812 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.893 6.492 4.945 1.00 0.00 H new ATOM 884 N SER A 61 -1.465 9.292 5.489 1.00 0.00 N ATOM 885 CA SER A 61 -2.086 9.634 6.757 1.00 0.00 C ATOM 886 C SER A 61 -3.527 10.091 6.528 1.00 0.00 C ATOM 887 O SER A 61 -4.403 9.834 7.353 1.00 0.00 O ATOM 888 CB SER A 61 -1.294 10.723 7.484 1.00 0.00 C ATOM 889 OG SER A 61 -1.560 12.019 6.956 1.00 0.00 O ATOM 0 H SER A 61 -1.277 10.087 4.878 1.00 0.00 H new ATOM 0 HA SER A 61 -2.089 8.744 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.544 10.706 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.228 10.511 7.404 1.00 0.00 H new ATOM 0 HG SER A 61 -1.037 12.686 7.448 1.00 0.00 H new ATOM 895 N THR A 62 -3.731 10.761 5.402 1.00 0.00 N ATOM 896 CA THR A 62 -5.052 11.256 5.054 1.00 0.00 C ATOM 897 C THR A 62 -6.094 10.145 5.202 1.00 0.00 C ATOM 898 O THR A 62 -5.744 8.970 5.300 1.00 0.00 O ATOM 899 CB THR A 62 -4.980 11.839 3.641 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.620 11.656 3.258 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.172 13.357 3.623 1.00 0.00 C ATOM 0 H THR A 62 -3.003 10.972 4.719 1.00 0.00 H new ATOM 0 HA THR A 62 -5.370 12.048 5.732 1.00 0.00 H new ATOM 0 HB THR A 62 -5.740 11.370 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.374 10.714 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.112 13.719 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.149 13.605 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.393 13.829 4.221 1.00 0.00 H new ATOM 909 N ASP A 63 -7.353 10.557 5.211 1.00 0.00 N ATOM 910 CA ASP A 63 -8.448 9.612 5.346 1.00 0.00 C ATOM 911 C ASP A 63 -8.569 8.791 4.060 1.00 0.00 C ATOM 912 O ASP A 63 -9.076 9.280 3.052 1.00 0.00 O ATOM 913 CB ASP A 63 -9.777 10.337 5.569 1.00 0.00 C ATOM 914 CG ASP A 63 -10.173 10.524 7.034 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.524 9.558 7.729 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.112 11.738 7.466 1.00 0.00 O ATOM 0 H ASP A 63 -7.639 11.532 5.127 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.237 8.972 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.723 11.317 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.566 9.781 5.063 1.00 0.00 H new ATOM 922 N LYS A 64 -8.092 7.557 4.137 1.00 0.00 N ATOM 923 CA LYS A 64 -8.139 6.664 2.993 1.00 0.00 C ATOM 924 C LYS A 64 -7.242 7.217 1.882 1.00 0.00 C ATOM 925 O LYS A 64 -7.675 7.348 0.739 1.00 0.00 O ATOM 926 CB LYS A 64 -9.586 6.428 2.554 1.00 0.00 C ATOM 927 CG LYS A 64 -10.407 5.807 3.687 1.00 0.00 C ATOM 928 CD LYS A 64 -11.892 5.755 3.321 1.00 0.00 C ATOM 929 CE LYS A 64 -12.688 4.985 4.377 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.273 3.758 3.790 1.00 0.00 N ATOM 0 H LYS A 64 -7.671 7.155 4.975 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.748 5.682 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.036 7.373 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.604 5.771 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.044 4.800 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.273 6.389 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.284 6.768 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.014 5.278 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.038 4.722 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.480 5.618 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.432 3.056 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.179 3.989 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.620 3.366 3.082 1.00 0.00 H new ATOM 944 N CYS A 65 -6.011 7.528 2.258 1.00 0.00 N ATOM 945 CA CYS A 65 -5.051 8.064 1.309 1.00 0.00 C ATOM 946 C CYS A 65 -4.139 6.923 0.852 1.00 0.00 C ATOM 947 O CYS A 65 -2.991 7.154 0.477 1.00 0.00 O ATOM 948 CB CYS A 65 -4.256 9.227 1.905 1.00 0.00 C ATOM 949 SG CYS A 65 -3.863 8.883 3.659 1.00 0.00 S ATOM 0 H CYS A 65 -5.656 7.419 3.208 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.577 8.474 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.336 9.376 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.831 10.149 1.827 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.966 7.607 3.884 1.00 0.00 H new ATOM 955 N ASN A 66 -4.683 5.717 0.899 1.00 0.00 N ATOM 956 CA ASN A 66 -3.933 4.539 0.496 1.00 0.00 C ATOM 957 C ASN A 66 -4.489 4.015 -0.829 1.00 0.00 C ATOM 958 O ASN A 66 -4.127 2.927 -1.272 1.00 0.00 O ATOM 959 CB ASN A 66 -4.056 3.424 1.536 1.00 0.00 C ATOM 960 CG ASN A 66 -2.693 3.082 2.137 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.449 1.979 2.600 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.819 4.083 2.103 1.00 0.00 N ATOM 0 H ASN A 66 -5.636 5.529 1.210 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.886 4.824 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.739 3.734 2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.486 2.536 1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.880 3.953 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.088 4.981 1.701 1.00 0.00 H new ATOM 969 N PRO A 67 -5.386 4.835 -1.442 1.00 0.00 N ATOM 970 CA PRO A 67 -5.996 4.466 -2.706 1.00 0.00 C ATOM 971 C PRO A 67 -5.006 4.628 -3.862 1.00 0.00 C ATOM 972 O PRO A 67 -5.163 5.514 -4.699 1.00 0.00 O ATOM 973 CB PRO A 67 -7.212 5.369 -2.836 1.00 0.00 C ATOM 974 CG PRO A 67 -6.979 6.521 -1.874 1.00 0.00 C ATOM 975 CD PRO A 67 -5.838 6.132 -0.947 1.00 0.00 C ATOM 0 HA PRO A 67 -6.290 3.417 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.323 5.730 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.127 4.831 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.733 7.431 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.883 6.728 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.035 6.869 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.173 6.066 0.088 1.00 0.00 H new ATOM 983 N HIS A 68 -4.006 3.758 -3.869 1.00 0.00 N ATOM 984 CA HIS A 68 -2.990 3.794 -4.906 1.00 0.00 C ATOM 985 C HIS A 68 -3.639 4.144 -6.248 1.00 0.00 C ATOM 986 O HIS A 68 -4.840 3.956 -6.428 1.00 0.00 O ATOM 987 CB HIS A 68 -2.210 2.479 -4.950 1.00 0.00 C ATOM 988 CG HIS A 68 -3.084 1.250 -5.041 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.956 0.313 -6.051 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.097 0.815 -4.238 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.856 -0.638 -5.857 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.563 -0.325 -4.732 1.00 0.00 N ATOM 0 H HIS A 68 -3.878 3.024 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.262 4.573 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.535 2.497 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.590 2.406 -4.057 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.282 0.349 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.458 1.314 -3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.005 -1.508 -6.479 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.791 4.661 -7.179 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.269 5.038 -8.498 1.00 0.00 C ATOM 1003 C PRO A 69 -3.522 3.803 -9.363 1.00 0.00 C ATOM 1004 O PRO A 69 -2.580 3.181 -9.854 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.189 5.947 -9.061 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.942 5.675 -8.236 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.361 4.898 -6.999 1.00 0.00 C ATOM 0 HA PRO A 69 -4.229 5.553 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.013 5.737 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.484 6.994 -8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.217 5.105 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.460 6.611 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.811 3.960 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.165 5.465 -6.089 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.798 3.484 -9.524 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.187 2.334 -10.323 1.00 0.00 C ATOM 1017 C LYS A 70 -6.656 2.471 -10.727 1.00 0.00 C ATOM 1018 O LYS A 70 -7.025 2.152 -11.856 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.873 1.034 -9.578 1.00 0.00 C ATOM 1020 CG LYS A 70 -4.010 1.304 -8.343 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.750 2.194 -7.341 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.235 1.828 -7.275 1.00 0.00 C ATOM 1023 NZ LYS A 70 -7.001 2.892 -6.588 1.00 0.00 N ATOM 0 H LYS A 70 -5.576 4.002 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.605 2.296 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.802 0.549 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.355 0.345 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.743 0.360 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.079 1.785 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.301 2.087 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.642 3.240 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.625 1.684 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.360 0.883 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.294 2.557 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.404 3.737 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.844 3.131 -7.149 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.454 2.947 -9.782 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.874 3.131 -10.027 1.00 0.00 C ATOM 1039 C GLN A 71 -9.092 4.051 -11.229 1.00 0.00 C ATOM 1040 O GLN A 71 -9.397 5.231 -11.066 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.578 3.680 -8.784 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.912 2.554 -7.802 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.392 3.119 -6.463 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.492 3.628 -6.332 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.504 3.002 -5.478 1.00 0.00 N ATOM 0 H GLN A 71 -7.144 3.210 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.311 2.159 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.940 4.416 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.493 4.195 -9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.683 1.912 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.031 1.932 -7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.600 2.565 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.728 3.350 -4.546 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.926 3.474 -12.412 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.100 4.228 -13.642 1.00 0.00 C ATOM 1056 C ARG A 72 -9.148 3.281 -14.842 1.00 0.00 C ATOM 1057 O ARG A 72 -8.414 2.295 -14.889 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.962 5.232 -13.839 1.00 0.00 C ATOM 1059 CG ARG A 72 -8.092 5.952 -15.182 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.759 6.576 -15.602 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.814 6.974 -17.025 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.745 7.404 -17.732 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.530 7.495 -17.150 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.908 7.734 -19.000 1.00 0.00 N ATOM 0 H ARG A 72 -8.673 2.495 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.041 4.773 -13.566 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.972 5.961 -13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.004 4.715 -13.791 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.424 5.248 -15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.854 6.728 -15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.543 7.445 -14.981 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.949 5.863 -15.446 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.714 6.921 -17.502 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.414 7.238 -16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.729 7.820 -17.691 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.830 7.663 -19.431 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.112 8.060 -19.548 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.043 3.621 -15.808 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.196 2.811 -17.005 1.00 0.00 C ATOM 1080 C PRO A 73 -9.025 3.027 -17.966 1.00 0.00 C ATOM 1081 O PRO A 73 -8.910 4.086 -18.582 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.533 3.231 -17.594 1.00 0.00 C ATOM 1083 CG PRO A 73 -11.860 4.579 -16.970 1.00 0.00 C ATOM 1084 CD PRO A 73 -10.929 4.781 -15.786 1.00 0.00 C ATOM 0 HA PRO A 73 -10.186 1.742 -16.794 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.475 3.307 -18.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.307 2.498 -17.367 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.730 5.379 -17.699 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.901 4.608 -16.647 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.367 5.710 -15.879 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.485 4.837 -14.850 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.186 2.006 -18.063 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.028 2.071 -18.938 1.00 0.00 C ATOM 1094 C GLY A 74 -6.310 0.721 -18.998 1.00 0.00 C ATOM 1095 O GLY A 74 -5.430 0.519 -19.833 1.00 0.00 O ATOM 0 H GLY A 74 -8.285 1.130 -17.550 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.341 2.366 -19.940 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.340 2.837 -18.581 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.102 -10.426 -10.916 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.433 -10.118 -9.535 1.00 0.00 C ATOM 1102 C HIS B 1 -6.176 -9.646 -8.800 1.00 0.00 C ATOM 1103 O HIS B 1 -5.376 -10.461 -8.343 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.101 -11.315 -8.857 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.015 -11.295 -7.350 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.596 -12.384 -6.608 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.298 -10.305 -6.454 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -7.629 -12.055 -5.325 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -8.066 -10.767 -5.232 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.805 -11.089 -11.302 1.00 0.00 H new ATOM 0 H2 HIS B 1 -7.107 -9.551 -11.478 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.158 -10.859 -10.958 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.158 -9.305 -9.503 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.150 -11.346 -9.150 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.640 -12.232 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -8.651 -9.314 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -7.357 -12.695 -4.498 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -8.194 -10.244 -4.365 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.042 -8.330 -8.710 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.896 -7.740 -8.038 1.00 0.00 C ATOM 1120 C ARG B 2 -5.076 -6.225 -7.915 1.00 0.00 C ATOM 1121 O ARG B 2 -5.968 -5.651 -8.538 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.602 -8.034 -8.798 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.806 -9.148 -8.116 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.533 -8.597 -7.470 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.086 -9.499 -6.385 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.820 -9.787 -5.289 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.046 -9.246 -5.124 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.321 -10.606 -4.382 1.00 0.00 N ATOM 0 H ARG B 2 -6.707 -7.657 -9.091 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.828 -8.183 -7.044 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.836 -8.324 -9.822 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.995 -7.130 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.424 -9.629 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.545 -9.913 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.748 -8.499 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.720 -7.600 -7.072 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.166 -9.930 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.424 -8.615 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.594 -9.469 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.394 -11.011 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.862 -10.834 -3.548 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.215 -5.623 -7.107 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.267 -4.187 -6.895 1.00 0.00 C ATOM 1144 C TYR B 3 -2.989 -3.513 -7.394 1.00 0.00 C ATOM 1145 O TYR B 3 -2.380 -2.721 -6.676 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.379 -3.990 -5.382 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.617 -5.282 -4.601 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.552 -6.092 -4.264 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.900 -5.638 -4.233 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.777 -7.309 -3.528 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.124 -6.857 -3.497 1.00 0.00 C ATOM 1152 CZ TYR B 3 -5.053 -7.631 -3.182 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.265 -8.781 -2.487 1.00 0.00 O ATOM 0 H TYR B 3 -3.478 -6.104 -6.592 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.105 -3.748 -7.437 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.464 -3.522 -5.019 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.195 -3.298 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.549 -5.813 -4.552 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.734 -5.004 -4.496 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.952 -7.951 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.121 -7.149 -3.202 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.737 -8.577 -1.653 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.620 -3.849 -8.622 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.425 -3.285 -9.225 1.00 0.00 C ATOM 1165 C TYR B 4 -1.511 -1.759 -9.289 1.00 0.00 C ATOM 1166 O TYR B 4 -2.359 -1.152 -8.636 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.369 -3.842 -10.650 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.393 -5.006 -10.824 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.809 -6.299 -10.574 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.904 -4.765 -11.231 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.109 -7.395 -10.738 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.822 -5.862 -11.395 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.379 -7.124 -11.141 1.00 0.00 C ATOM 1174 OH TYR B 4 2.247 -8.159 -11.296 1.00 0.00 O ATOM 0 H TYR B 4 -3.128 -4.505 -9.215 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.542 -3.542 -8.640 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.367 -4.171 -10.940 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.087 -3.040 -11.332 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.824 -6.488 -10.255 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.230 -3.754 -11.426 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.204 -8.411 -10.545 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.839 -5.688 -11.712 1.00 0.00 H new ATOM 0 HH TYR B 4 2.989 -8.061 -10.664 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.621 -1.181 -10.083 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.586 0.264 -10.241 1.00 0.00 C ATOM 1186 C GLU B 5 -1.139 0.661 -11.611 1.00 0.00 C ATOM 1187 O GLU B 5 -0.610 1.561 -12.260 1.00 0.00 O ATOM 1188 CB GLU B 5 0.834 0.801 -10.046 1.00 0.00 C ATOM 1189 CG GLU B 5 1.669 0.617 -11.313 1.00 0.00 C ATOM 1190 CD GLU B 5 2.257 1.950 -11.782 1.00 0.00 C ATOM 1191 OE1 GLU B 5 3.280 2.399 -11.247 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.611 2.523 -12.740 1.00 0.00 O ATOM 0 H GLU B 5 0.081 -1.686 -10.624 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.217 0.711 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.794 1.858 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.311 0.284 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.474 -0.092 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.049 0.191 -12.102 1.00 0.00 H new ATOM 1200 N SER B 6 -2.196 -0.029 -12.010 1.00 0.00 N ATOM 1201 CA SER B 6 -2.826 0.239 -13.291 1.00 0.00 C ATOM 1202 C SER B 6 -4.327 -0.048 -13.207 1.00 0.00 C ATOM 1203 O SER B 6 -5.064 0.195 -14.161 1.00 0.00 O ATOM 1204 CB SER B 6 -2.189 -0.593 -14.405 1.00 0.00 C ATOM 1205 OG SER B 6 -2.973 -0.581 -15.595 1.00 0.00 O ATOM 0 H SER B 6 -2.633 -0.775 -11.468 1.00 0.00 H new ATOM 0 HA SER B 6 -2.676 1.292 -13.531 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.194 -0.206 -14.623 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.064 -1.621 -14.064 1.00 0.00 H new ATOM 0 HG SER B 6 -3.832 -0.145 -15.416 1.00 0.00 H new ATOM 1211 N SER B 7 -4.735 -0.561 -12.056 1.00 0.00 N ATOM 1212 CA SER B 7 -6.134 -0.885 -11.834 1.00 0.00 C ATOM 1213 C SER B 7 -6.352 -1.296 -10.377 1.00 0.00 C ATOM 1214 O SER B 7 -5.393 -1.549 -9.649 1.00 0.00 O ATOM 1215 CB SER B 7 -6.598 -1.999 -12.775 1.00 0.00 C ATOM 1216 OG SER B 7 -7.874 -2.513 -12.406 1.00 0.00 O ATOM 0 H SER B 7 -4.121 -0.761 -11.266 1.00 0.00 H new ATOM 0 HA SER B 7 -6.728 0.004 -12.046 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.642 -1.617 -13.795 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.866 -2.807 -12.769 1.00 0.00 H new ATOM 0 HG SER B 7 -8.540 -1.796 -12.449 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.620 -1.350 -9.993 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.976 -1.726 -8.636 1.00 0.00 C ATOM 1224 C LEU B 8 -8.969 -2.889 -8.676 1.00 0.00 C ATOM 1225 O LEU B 8 -9.088 -3.643 -7.712 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.484 -0.510 -7.858 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.428 -0.616 -6.334 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.590 -1.457 -5.800 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.072 -1.153 -5.872 1.00 0.00 C ATOM 0 H LEU B 8 -8.413 -1.139 -10.599 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.097 -2.076 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.903 0.360 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.517 -0.322 -8.151 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.537 0.385 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.527 -1.517 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.535 -0.994 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.537 -2.461 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.058 -1.219 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.909 -2.143 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.282 -0.480 -6.205 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.656 -2.998 -9.805 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.635 -4.057 -9.984 1.00 0.00 C ATOM 1243 C GLU B 9 -9.946 -5.347 -10.433 1.00 0.00 C ATOM 1244 O GLU B 9 -8.979 -5.307 -11.190 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.718 -3.638 -10.980 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.201 -2.214 -10.699 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.772 -2.098 -9.285 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -12.079 -1.623 -8.372 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.984 -2.521 -9.150 1.00 0.00 O ATOM 0 H GLU B 9 -9.554 -2.371 -10.603 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.120 -4.243 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.326 -3.699 -11.995 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.559 -4.329 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.373 -1.515 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.963 -1.934 -11.427 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.486 -6.490 -9.932 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.935 -7.791 -10.274 1.00 0.00 C ATOM 1259 C PRO B 10 -10.319 -8.191 -11.699 1.00 0.00 C ATOM 1260 O PRO B 10 -10.359 -9.377 -12.025 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.484 -8.740 -9.223 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.684 -8.036 -8.610 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.632 -6.576 -9.032 1.00 0.00 C ATOM 0 HA PRO B 10 -8.845 -7.800 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.775 -9.691 -9.670 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.732 -8.961 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.612 -8.498 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.663 -8.121 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.552 -6.276 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.509 -5.919 -8.171 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.589 -7.181 -12.512 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.969 -7.415 -13.895 1.00 0.00 C ATOM 1273 C TRP B 11 -10.006 -6.627 -14.788 1.00 0.00 C ATOM 1274 O TRP B 11 -9.665 -7.073 -15.883 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.436 -7.050 -14.131 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.166 -7.992 -15.088 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.136 -7.991 -16.429 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.039 -9.082 -14.725 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.925 -8.996 -16.954 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.491 -9.679 -15.883 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.436 -9.546 -13.458 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.363 -10.775 -15.892 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.306 -10.642 -13.484 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.770 -11.256 -14.641 1.00 0.00 C ATOM 0 H TRP B 11 -10.552 -6.199 -12.240 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.890 -8.473 -14.143 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.957 -7.046 -13.174 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.488 -6.036 -14.526 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.566 -7.292 -17.024 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.066 -9.199 -17.943 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.097 -9.093 -12.538 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.703 -11.225 -16.813 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.641 -11.039 -12.537 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.441 -12.100 -14.576 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.598 -5.471 -14.288 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.683 -4.617 -15.026 1.00 0.00 C ATOM 1297 C TYR B 12 -7.238 -4.837 -14.570 1.00 0.00 C ATOM 1298 O TYR B 12 -6.313 -4.780 -15.378 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.093 -3.178 -14.704 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.319 -2.693 -15.482 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.065 -3.586 -16.223 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.675 -1.360 -15.444 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.216 -3.128 -16.956 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.827 -0.902 -16.177 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.542 -1.809 -16.896 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.630 -1.376 -17.588 1.00 0.00 O ATOM 0 H TYR B 12 -9.884 -5.105 -13.380 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.731 -4.836 -16.093 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.298 -3.099 -13.636 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.254 -2.515 -14.917 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.785 -4.629 -16.253 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -10.090 -0.661 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.808 -3.817 -17.541 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -12.117 0.138 -16.156 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.742 -0.412 -17.451 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.089 -5.090 -13.242 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.772 -5.318 -12.668 1.00 0.00 C ATOM 1318 C PRO B 13 -5.252 -6.711 -13.029 1.00 0.00 C ATOM 1319 O PRO B 13 -4.061 -6.886 -13.278 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.956 -5.122 -11.172 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.449 -5.249 -10.916 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.161 -5.166 -12.256 1.00 0.00 C ATOM 0 HA PRO B 13 -5.019 -4.633 -13.056 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.398 -5.870 -10.609 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.587 -4.146 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.673 -6.195 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.791 -4.455 -10.252 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.792 -6.039 -12.424 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.808 -4.290 -12.307 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.171 -7.666 -13.047 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.818 -9.038 -13.372 1.00 0.00 C ATOM 1332 C ASP B 14 -7.091 -9.884 -13.437 1.00 0.00 C ATOM 1333 O ASP B 14 -7.938 -9.674 -14.304 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.904 -9.640 -12.304 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.896 -11.169 -12.246 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -4.956 -11.846 -13.283 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.821 -11.669 -11.059 1.00 0.00 O ATOM 0 H ASP B 14 -7.159 -7.517 -12.842 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.298 -9.035 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.886 -9.293 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.207 -9.256 -11.330 1.00 0.00 H new