USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=41 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+ -151:sc= -1.19! (180deg=-4.87!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.711 F(o=-13!,f=-0.48) USER MOD Set 2.1: A 48 CYS SG : rot 12:sc= -13.7! USER MOD Set 2.2: A 59 CYS SG : rot 126:sc= -18.3! USER MOD Set 3.1: A 29 CYS SG : rot -139:sc= -4.45! USER MOD Set 3.2: A 33 CYS SG : rot -56:sc= 1.48! USER MOD Set 4.1: A 5 THR OG1 : rot -22:sc= 1.52 USER MOD Set 4.2: A 8 THR OG1 : rot 78:sc= -1.58 USER MOD Set 4.3: A 9 SER OG : rot 180:sc= 0.0443 USER MOD Set 5.1: A 3 CYS SG : rot -100:sc= -11.8! USER MOD Set 5.2: A 16 CYS SG : rot 121:sc= -5.29! USER MOD Set 5.3: A 23 CYS SG : rot -85:sc= -11.7! USER MOD Set 5.4: A 44 CYS SG : rot -73:sc= -12.7! USER MOD Set 5.5: A 60 CYS SG : rot -41:sc= -21.7! USER MOD Set 5.6: A 62 THR OG1 : rot 54:sc= -2.18! USER MOD Set 5.7: A 65 CYS SG : rot 17:sc= -27.4! USER MOD Set 5.8: A 66 ASN : amide:sc= -10.9! C(o=-1e+02!,f=-1.1e+02!) USER MOD Single : A 1 ILE N :NH3+ -117:sc= -0.187 (180deg=-0.475) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.3! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -74:sc= -2.13 USER MOD Single : A 12 SER OG : rot 180:sc= -0.757 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 21 ASN :FLIP amide:sc= -2 F(o=-5.4!,f=-2) USER MOD Single : A 24 TYR OH : rot -93:sc= 0.00586 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 136:sc= -1.2 (180deg=-1.88!) 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 84:sc= 1.01 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -1.08 (180deg=-1.47) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00881) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -1.02 (180deg=-1.21) USER MOD Single : A 68 HIS : no HE2:sc= -32.7! C(o=-33!,f=-38!) USER MOD Single : B 1 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.83) USER MOD Single : B 1 HIS N :NH3+ 172:sc= -16.2! (180deg=-16.7!) USER MOD Single : B 3 TYR OH : rot 131:sc= 0.742 USER MOD Single : B 4 TYR OH : rot 56:sc= -0.51 USER MOD Single : B 6 SER OG : rot -34:sc= -2.3! USER MOD Single : B 7 SER OG : rot 62:sc= -7.11! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.930 6.443 12.441 1.00 0.00 N ATOM 2 CA ILE A 1 -6.543 6.580 11.130 1.00 0.00 C ATOM 3 C ILE A 1 -6.813 5.190 10.550 1.00 0.00 C ATOM 4 O ILE A 1 -6.697 4.188 11.254 1.00 0.00 O ATOM 5 CB ILE A 1 -5.683 7.466 10.226 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.293 6.859 10.026 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.610 8.895 10.767 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.589 7.484 8.819 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.557 6.853 13.162 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.775 5.436 12.648 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.018 6.943 12.452 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.505 7.085 11.211 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.158 7.516 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.692 7.014 10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.380 5.782 9.883 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.993 9.503 10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.614 9.317 10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.171 8.884 11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.603 7.034 8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.180 7.306 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.482 8.557 8.976 1.00 0.00 H new ATOM 20 N VAL A 2 -7.170 5.175 9.274 1.00 0.00 N ATOM 21 CA VAL A 2 -7.459 3.924 8.593 1.00 0.00 C ATOM 22 C VAL A 2 -6.563 3.803 7.359 1.00 0.00 C ATOM 23 O VAL A 2 -6.095 4.808 6.826 1.00 0.00 O ATOM 24 CB VAL A 2 -8.950 3.842 8.259 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.366 2.402 7.958 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.797 4.433 9.388 1.00 0.00 C ATOM 0 H VAL A 2 -7.266 6.009 8.694 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.238 3.076 9.241 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.126 4.435 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.430 2.372 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.796 2.029 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.168 1.777 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.853 4.363 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.614 3.879 10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.529 5.479 9.535 1.00 0.00 H new ATOM 36 N CYS A 3 -6.351 2.564 6.941 1.00 0.00 N ATOM 37 CA CYS A 3 -5.519 2.298 5.780 1.00 0.00 C ATOM 38 C CYS A 3 -6.106 1.097 5.034 1.00 0.00 C ATOM 39 O CYS A 3 -6.722 0.223 5.643 1.00 0.00 O ATOM 40 CB CYS A 3 -4.058 2.067 6.172 1.00 0.00 C ATOM 41 SG CYS A 3 -3.647 3.051 7.658 1.00 0.00 S ATOM 0 H CYS A 3 -6.741 1.733 7.386 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.517 3.168 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.888 1.008 6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.403 2.347 5.347 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.009 4.127 7.303 1.00 0.00 H new ATOM 47 N HIS A 4 -5.894 1.092 3.726 1.00 0.00 N ATOM 48 CA HIS A 4 -6.394 0.014 2.890 1.00 0.00 C ATOM 49 C HIS A 4 -5.397 -1.146 2.898 1.00 0.00 C ATOM 50 O HIS A 4 -4.189 -0.932 2.990 1.00 0.00 O ATOM 51 CB HIS A 4 -6.703 0.520 1.480 1.00 0.00 C ATOM 52 CG HIS A 4 -7.366 1.877 1.444 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.950 3.059 0.904 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.604 2.120 2.014 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.884 3.974 1.130 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.910 3.395 1.818 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.382 1.818 3.224 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.335 -0.359 3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.775 0.566 0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.349 -0.202 0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.216 1.395 2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.839 5.008 0.820 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.763 3.861 2.127 1.00 0.00 H new ATOM 65 N THR A 5 -5.940 -2.350 2.802 1.00 0.00 N ATOM 66 CA THR A 5 -5.114 -3.546 2.798 1.00 0.00 C ATOM 67 C THR A 5 -5.212 -4.257 1.447 1.00 0.00 C ATOM 68 O THR A 5 -6.278 -4.745 1.073 1.00 0.00 O ATOM 69 CB THR A 5 -5.541 -4.420 3.978 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.594 -5.224 3.449 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.211 -3.615 5.091 1.00 0.00 C ATOM 0 H THR A 5 -6.942 -2.524 2.726 1.00 0.00 H new ATOM 0 HA THR A 5 -4.060 -3.299 2.924 1.00 0.00 H new ATOM 0 HB THR A 5 -4.671 -4.939 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.983 -4.780 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.494 -4.284 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.516 -2.863 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.101 -3.123 4.699 1.00 0.00 H new ATOM 79 N THR A 6 -4.085 -4.295 0.751 1.00 0.00 N ATOM 80 CA THR A 6 -4.030 -4.937 -0.552 1.00 0.00 C ATOM 81 C THR A 6 -3.400 -6.327 -0.434 1.00 0.00 C ATOM 82 O THR A 6 -3.649 -7.197 -1.265 1.00 0.00 O ATOM 83 CB THR A 6 -3.278 -4.008 -1.507 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.852 -2.929 -0.678 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.203 -3.349 -2.531 1.00 0.00 C ATOM 0 H THR A 6 -3.202 -3.891 1.065 1.00 0.00 H new ATOM 0 HA THR A 6 -5.029 -5.100 -0.955 1.00 0.00 H new ATOM 0 HB THR A 6 -2.504 -4.572 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.620 -2.359 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.619 -2.700 -3.184 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.692 -4.119 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.957 -2.758 -2.012 1.00 0.00 H new ATOM 93 N ALA A 7 -2.596 -6.490 0.607 1.00 0.00 N ATOM 94 CA ALA A 7 -1.928 -7.759 0.843 1.00 0.00 C ATOM 95 C ALA A 7 -2.924 -8.749 1.448 1.00 0.00 C ATOM 96 O ALA A 7 -3.066 -9.869 0.960 1.00 0.00 O ATOM 97 CB ALA A 7 -0.709 -7.535 1.742 1.00 0.00 C ATOM 0 H ALA A 7 -2.392 -5.766 1.296 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.568 -8.184 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.208 -8.487 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.019 -6.847 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.031 -7.112 2.693 1.00 0.00 H new ATOM 103 N THR A 8 -3.589 -8.301 2.504 1.00 0.00 N ATOM 104 CA THR A 8 -4.568 -9.135 3.180 1.00 0.00 C ATOM 105 C THR A 8 -5.828 -9.281 2.325 1.00 0.00 C ATOM 106 O THR A 8 -5.832 -10.015 1.338 1.00 0.00 O ATOM 107 CB THR A 8 -4.835 -8.526 4.558 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.700 -7.122 4.350 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.738 -8.861 5.570 1.00 0.00 C ATOM 0 H THR A 8 -3.469 -7.372 2.907 1.00 0.00 H new ATOM 0 HA THR A 8 -4.193 -10.148 3.323 1.00 0.00 H new ATOM 0 HB THR A 8 -5.794 -8.884 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.512 -6.775 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.977 -8.404 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.671 -9.942 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.783 -8.475 5.213 1.00 0.00 H new ATOM 117 N SER A 9 -6.867 -8.568 2.735 1.00 0.00 N ATOM 118 CA SER A 9 -8.131 -8.608 2.018 1.00 0.00 C ATOM 119 C SER A 9 -7.946 -8.061 0.602 1.00 0.00 C ATOM 120 O SER A 9 -6.825 -7.987 0.102 1.00 0.00 O ATOM 121 CB SER A 9 -9.209 -7.814 2.758 1.00 0.00 C ATOM 122 OG SER A 9 -8.932 -7.705 4.151 1.00 0.00 O ATOM 0 H SER A 9 -6.860 -7.960 3.554 1.00 0.00 H new ATOM 0 HA SER A 9 -8.459 -9.646 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.286 -6.817 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.176 -8.298 2.618 1.00 0.00 H new ATOM 0 HG SER A 9 -9.643 -7.190 4.587 1.00 0.00 H new ATOM 128 N PRO A 10 -9.095 -7.683 -0.022 1.00 0.00 N ATOM 129 CA PRO A 10 -9.071 -7.145 -1.373 1.00 0.00 C ATOM 130 C PRO A 10 -8.551 -5.707 -1.380 1.00 0.00 C ATOM 131 O PRO A 10 -7.601 -5.389 -2.093 1.00 0.00 O ATOM 132 CB PRO A 10 -10.503 -7.263 -1.868 1.00 0.00 C ATOM 133 CG PRO A 10 -11.362 -7.428 -0.625 1.00 0.00 C ATOM 134 CD PRO A 10 -10.441 -7.757 0.537 1.00 0.00 C ATOM 0 HA PRO A 10 -8.391 -7.687 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.796 -6.376 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.616 -8.116 -2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.920 -6.514 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.094 -8.223 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.569 -7.049 1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.649 -8.749 0.938 1.00 0.00 H new ATOM 142 N ILE A 11 -9.200 -4.873 -0.579 1.00 0.00 N ATOM 143 CA ILE A 11 -8.816 -3.474 -0.485 1.00 0.00 C ATOM 144 C ILE A 11 -9.927 -2.691 0.216 1.00 0.00 C ATOM 145 O ILE A 11 -10.934 -2.347 -0.402 1.00 0.00 O ATOM 146 CB ILE A 11 -8.452 -2.925 -1.866 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.957 -2.613 -1.956 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.314 -1.709 -2.216 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.601 -2.018 -3.320 1.00 0.00 C ATOM 0 H ILE A 11 -9.989 -5.139 0.010 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.918 -3.365 0.122 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.664 -3.695 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.680 -1.914 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.381 -3.524 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.036 -1.338 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.365 -1.997 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.156 -0.925 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.533 -1.806 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.857 -2.729 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.160 -1.094 -3.471 1.00 0.00 H new ATOM 161 N SER A 12 -9.708 -2.432 1.498 1.00 0.00 N ATOM 162 CA SER A 12 -10.679 -1.697 2.289 1.00 0.00 C ATOM 163 C SER A 12 -9.974 -0.963 3.432 1.00 0.00 C ATOM 164 O SER A 12 -9.044 -1.495 4.035 1.00 0.00 O ATOM 165 CB SER A 12 -11.759 -2.628 2.842 1.00 0.00 C ATOM 166 OG SER A 12 -11.271 -3.437 3.909 1.00 0.00 O ATOM 0 H SER A 12 -8.872 -2.719 2.007 1.00 0.00 H new ATOM 0 HA SER A 12 -11.165 -0.967 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.603 -2.035 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.130 -3.268 2.042 1.00 0.00 H new ATOM 0 HG SER A 12 -11.991 -4.016 4.236 1.00 0.00 H new ATOM 172 N ALA A 13 -10.444 0.247 3.695 1.00 0.00 N ATOM 173 CA ALA A 13 -9.871 1.059 4.754 1.00 0.00 C ATOM 174 C ALA A 13 -10.383 0.560 6.107 1.00 0.00 C ATOM 175 O ALA A 13 -11.498 0.884 6.511 1.00 0.00 O ATOM 176 CB ALA A 13 -10.208 2.531 4.510 1.00 0.00 C ATOM 0 H ALA A 13 -11.216 0.685 3.192 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.785 0.971 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.778 3.139 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.797 2.844 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.290 2.660 4.500 1.00 0.00 H new ATOM 182 N VAL A 14 -9.542 -0.221 6.771 1.00 0.00 N ATOM 183 CA VAL A 14 -9.897 -0.768 8.069 1.00 0.00 C ATOM 184 C VAL A 14 -8.811 -0.406 9.084 1.00 0.00 C ATOM 185 O VAL A 14 -7.629 -0.655 8.850 1.00 0.00 O ATOM 186 CB VAL A 14 -10.130 -2.276 7.956 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.650 -2.648 6.566 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.855 -3.054 8.290 1.00 0.00 C ATOM 0 H VAL A 14 -8.617 -0.487 6.434 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.832 -0.334 8.423 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.892 -2.553 8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.807 -3.725 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.593 -2.134 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.921 -2.350 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.048 -4.123 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.063 -2.770 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.545 -2.824 9.309 1.00 0.00 H new ATOM 198 N THR A 15 -9.249 0.179 10.189 1.00 0.00 N ATOM 199 CA THR A 15 -8.329 0.578 11.240 1.00 0.00 C ATOM 200 C THR A 15 -7.352 -0.556 11.554 1.00 0.00 C ATOM 201 O THR A 15 -7.728 -1.727 11.535 1.00 0.00 O ATOM 202 CB THR A 15 -9.156 1.021 12.449 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.165 1.860 11.892 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.375 1.946 13.385 1.00 0.00 C ATOM 0 H THR A 15 -10.229 0.386 10.379 1.00 0.00 H new ATOM 0 HA THR A 15 -7.710 1.418 10.926 1.00 0.00 H new ATOM 0 HB THR A 15 -9.489 0.143 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.748 2.190 12.607 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.007 2.231 14.226 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.491 1.427 13.755 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.070 2.840 12.841 1.00 0.00 H new ATOM 212 N CYS A 16 -6.117 -0.170 11.837 1.00 0.00 N ATOM 213 CA CYS A 16 -5.084 -1.140 12.154 1.00 0.00 C ATOM 214 C CYS A 16 -4.905 -1.172 13.673 1.00 0.00 C ATOM 215 O CYS A 16 -5.555 -0.417 14.394 1.00 0.00 O ATOM 216 CB CYS A 16 -3.771 -0.825 11.433 1.00 0.00 C ATOM 217 SG CYS A 16 -3.328 -2.203 10.311 1.00 0.00 S ATOM 0 H CYS A 16 -5.809 0.802 11.853 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.388 -2.126 11.803 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.871 0.100 10.865 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.975 -0.667 12.161 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.245 -1.760 9.092 1.00 0.00 H new ATOM 223 N PRO A 17 -3.998 -2.078 14.126 1.00 0.00 N ATOM 224 CA PRO A 17 -3.726 -2.219 15.547 1.00 0.00 C ATOM 225 C PRO A 17 -2.873 -1.057 16.060 1.00 0.00 C ATOM 226 O PRO A 17 -2.598 -0.112 15.323 1.00 0.00 O ATOM 227 CB PRO A 17 -3.038 -3.568 15.683 1.00 0.00 C ATOM 228 CG PRO A 17 -2.533 -3.921 14.293 1.00 0.00 C ATOM 229 CD PRO A 17 -3.209 -2.990 13.302 1.00 0.00 C ATOM 0 HA PRO A 17 -4.630 -2.185 16.155 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.215 -3.517 16.396 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.731 -4.325 16.050 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.450 -3.812 14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.761 -4.960 14.057 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.476 -2.449 12.704 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.841 -3.543 12.607 1.00 0.00 H new ATOM 237 N PRO A 18 -2.468 -1.169 17.354 1.00 0.00 N ATOM 238 CA PRO A 18 -1.654 -0.139 17.974 1.00 0.00 C ATOM 239 C PRO A 18 -0.207 -0.213 17.480 1.00 0.00 C ATOM 240 O PRO A 18 0.478 -1.211 17.699 1.00 0.00 O ATOM 241 CB PRO A 18 -1.783 -0.382 19.470 1.00 0.00 C ATOM 242 CG PRO A 18 -2.284 -1.810 19.617 1.00 0.00 C ATOM 243 CD PRO A 18 -2.777 -2.274 18.257 1.00 0.00 C ATOM 0 HA PRO A 18 -1.983 0.868 17.717 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.824 -0.251 19.971 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.479 0.325 19.922 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.485 -2.460 19.975 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.088 -1.859 20.351 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.277 -3.191 17.946 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.846 -2.484 18.274 1.00 0.00 H new ATOM 251 N GLY A 19 0.215 0.857 16.821 1.00 0.00 N ATOM 252 CA GLY A 19 1.566 0.925 16.293 1.00 0.00 C ATOM 253 C GLY A 19 1.625 1.817 15.052 1.00 0.00 C ATOM 254 O GLY A 19 2.379 2.788 15.015 1.00 0.00 O ATOM 0 H GLY A 19 -0.355 1.683 16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.240 1.313 17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.913 -0.077 16.042 1.00 0.00 H new ATOM 258 N GLU A 20 0.820 1.455 14.064 1.00 0.00 N ATOM 259 CA GLU A 20 0.771 2.209 12.823 1.00 0.00 C ATOM 260 C GLU A 20 0.203 3.608 13.073 1.00 0.00 C ATOM 261 O GLU A 20 -1.003 3.767 13.257 1.00 0.00 O ATOM 262 CB GLU A 20 -0.044 1.468 11.762 1.00 0.00 C ATOM 263 CG GLU A 20 0.584 0.112 11.435 1.00 0.00 C ATOM 264 CD GLU A 20 -0.012 -0.994 12.309 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.570 -1.968 11.782 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.121 -0.816 13.579 1.00 0.00 O ATOM 0 H GLU A 20 0.196 0.649 14.098 1.00 0.00 H new ATOM 0 HA GLU A 20 1.788 2.313 12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.064 1.324 12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.104 2.072 10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.422 -0.124 10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.662 0.160 11.588 1.00 0.00 H new ATOM 274 N ASN A 21 1.099 4.585 13.074 1.00 0.00 N ATOM 275 CA ASN A 21 0.700 5.964 13.300 1.00 0.00 C ATOM 276 C ASN A 21 0.253 6.584 11.974 1.00 0.00 C ATOM 277 O ASN A 21 0.031 7.791 11.895 1.00 0.00 O ATOM 278 CB ASN A 21 1.869 6.792 13.840 1.00 0.00 C ATOM 279 CG ASN A 21 2.608 6.041 14.949 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.885 5.087 15.530 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.757 6.310 15.258 1.00 0.00 N flip ATOM 0 H ASN A 21 2.098 4.449 12.922 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.111 5.967 14.028 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.560 7.023 13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.499 7.743 14.224 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.255 7.055 14.771 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.220 5.790 16.003 1.00 0.00 H new ATOM 288 N LEU A 22 0.131 5.729 10.970 1.00 0.00 N ATOM 289 CA LEU A 22 -0.286 6.180 9.653 1.00 0.00 C ATOM 290 C LEU A 22 -0.423 4.970 8.725 1.00 0.00 C ATOM 291 O LEU A 22 -0.404 3.828 9.182 1.00 0.00 O ATOM 292 CB LEU A 22 0.669 7.253 9.125 1.00 0.00 C ATOM 293 CG LEU A 22 2.082 6.782 8.777 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.342 6.892 7.274 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.129 7.536 9.597 1.00 0.00 C ATOM 0 H LEU A 22 0.313 4.728 11.041 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.265 6.656 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.226 7.698 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.745 8.043 9.872 1.00 0.00 H new ATOM 0 HG LEU A 22 2.165 5.728 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.354 6.551 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.625 6.273 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.233 7.930 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.125 7.182 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.055 8.603 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.954 7.361 10.659 1.00 0.00 H new ATOM 307 N CYS A 23 -0.560 5.263 7.440 1.00 0.00 N ATOM 308 CA CYS A 23 -0.701 4.214 6.446 1.00 0.00 C ATOM 309 C CYS A 23 0.611 4.111 5.665 1.00 0.00 C ATOM 310 O CYS A 23 1.607 4.729 6.037 1.00 0.00 O ATOM 311 CB CYS A 23 -1.896 4.465 5.523 1.00 0.00 C ATOM 312 SG CYS A 23 -3.231 5.308 6.446 1.00 0.00 S ATOM 0 H CYS A 23 -0.576 6.211 7.065 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.902 3.265 6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.588 5.075 4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.261 3.520 5.121 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.962 4.423 7.056 1.00 0.00 H new ATOM 318 N TYR A 24 0.569 3.327 4.597 1.00 0.00 N ATOM 319 CA TYR A 24 1.741 3.135 3.763 1.00 0.00 C ATOM 320 C TYR A 24 1.366 2.478 2.433 1.00 0.00 C ATOM 321 O TYR A 24 0.250 1.986 2.273 1.00 0.00 O ATOM 322 CB TYR A 24 2.664 2.196 4.541 1.00 0.00 C ATOM 323 CG TYR A 24 2.259 0.723 4.468 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.746 -0.079 3.457 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.403 0.195 5.414 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.364 -1.466 3.388 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.020 -1.191 5.345 1.00 0.00 C ATOM 328 CZ TYR A 24 1.519 -1.952 4.335 1.00 0.00 C ATOM 329 OH TYR A 24 1.158 -3.263 4.270 1.00 0.00 O ATOM 0 H TYR A 24 -0.260 2.817 4.291 1.00 0.00 H new ATOM 0 HA TYR A 24 2.213 4.092 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.679 2.302 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.683 2.505 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.415 0.334 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.021 0.822 6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.740 -2.105 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.352 -1.617 6.079 1.00 0.00 H new ATOM 0 HH TYR A 24 0.320 -3.347 3.769 1.00 0.00 H new ATOM 339 N ARG A 25 2.321 2.489 1.514 1.00 0.00 N ATOM 340 CA ARG A 25 2.105 1.899 0.203 1.00 0.00 C ATOM 341 C ARG A 25 3.335 1.101 -0.228 1.00 0.00 C ATOM 342 O ARG A 25 4.322 1.672 -0.692 1.00 0.00 O ATOM 343 CB ARG A 25 1.810 2.977 -0.843 1.00 0.00 C ATOM 344 CG ARG A 25 1.016 4.132 -0.233 1.00 0.00 C ATOM 345 CD ARG A 25 1.162 5.403 -1.073 1.00 0.00 C ATOM 346 NE ARG A 25 -0.169 5.867 -1.522 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.379 6.591 -2.643 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.656 6.937 -3.438 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.611 6.953 -2.949 1.00 0.00 N ATOM 0 H ARG A 25 3.246 2.897 1.651 1.00 0.00 H new ATOM 0 HA ARG A 25 1.244 1.234 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.746 3.353 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.248 2.542 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.036 3.857 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.364 4.321 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.650 6.182 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.799 5.208 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.978 5.625 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.604 6.652 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.490 7.484 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.387 6.686 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.787 7.500 -3.792 1.00 0.00 H new ATOM 363 N LYS A 26 3.239 -0.210 -0.063 1.00 0.00 N ATOM 364 CA LYS A 26 4.333 -1.094 -0.430 1.00 0.00 C ATOM 365 C LYS A 26 4.243 -1.418 -1.922 1.00 0.00 C ATOM 366 O LYS A 26 3.166 -1.348 -2.513 1.00 0.00 O ATOM 367 CB LYS A 26 4.346 -2.334 0.468 1.00 0.00 C ATOM 368 CG LYS A 26 5.637 -2.406 1.285 1.00 0.00 C ATOM 369 CD LYS A 26 5.576 -3.544 2.306 1.00 0.00 C ATOM 370 CE LYS A 26 5.273 -3.007 3.706 1.00 0.00 C ATOM 371 NZ LYS A 26 6.165 -3.635 4.707 1.00 0.00 N ATOM 0 H LYS A 26 2.420 -0.682 0.320 1.00 0.00 H new ATOM 0 HA LYS A 26 5.291 -0.600 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.488 -2.310 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.248 -3.231 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.486 -2.556 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.799 -1.459 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.808 -4.260 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.525 -4.080 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.403 -1.925 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.232 -3.207 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.946 -3.259 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.021 -4.665 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.155 -3.423 4.471 1.00 0.00 H new ATOM 385 N MET A 27 5.389 -1.762 -2.491 1.00 0.00 N ATOM 386 CA MET A 27 5.454 -2.096 -3.904 1.00 0.00 C ATOM 387 C MET A 27 6.558 -3.119 -4.176 1.00 0.00 C ATOM 388 O MET A 27 7.563 -3.158 -3.467 1.00 0.00 O ATOM 389 CB MET A 27 5.722 -0.827 -4.716 1.00 0.00 C ATOM 390 CG MET A 27 4.478 -0.404 -5.499 1.00 0.00 C ATOM 391 SD MET A 27 4.515 1.354 -5.800 1.00 0.00 S ATOM 392 CE MET A 27 2.816 1.623 -6.279 1.00 0.00 C ATOM 0 H MET A 27 6.281 -1.817 -1.999 1.00 0.00 H new ATOM 0 HA MET A 27 4.500 -2.533 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.027 -0.021 -4.048 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.549 -1.000 -5.405 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.434 -0.942 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.580 -0.667 -4.940 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.436 2.518 -5.786 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.759 1.752 -7.360 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.214 0.764 -5.984 1.00 0.00 H new ATOM 402 N TRP A 28 6.334 -3.925 -5.203 1.00 0.00 N ATOM 403 CA TRP A 28 7.295 -4.946 -5.578 1.00 0.00 C ATOM 404 C TRP A 28 6.909 -5.478 -6.959 1.00 0.00 C ATOM 405 O TRP A 28 7.176 -4.834 -7.973 1.00 0.00 O ATOM 406 CB TRP A 28 7.371 -6.045 -4.514 1.00 0.00 C ATOM 407 CG TRP A 28 6.051 -6.292 -3.780 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.896 -6.739 -4.291 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.798 -6.087 -2.376 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.920 -6.837 -3.320 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.486 -6.428 -2.119 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.649 -5.628 -1.354 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.907 -6.347 -0.847 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.056 -5.552 -0.088 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.736 -5.892 0.187 1.00 0.00 C ATOM 0 H TRP A 28 5.499 -3.891 -5.788 1.00 0.00 H new ATOM 0 HA TRP A 28 8.299 -4.526 -5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.691 -6.973 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.136 -5.779 -3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.747 -6.991 -5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.960 -7.152 -3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.679 -5.356 -1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.877 -6.620 -0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.667 -5.205 0.732 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.352 -5.806 1.193 1.00 0.00 H new ATOM 426 N CYS A 29 6.286 -6.648 -6.955 1.00 0.00 N ATOM 427 CA CYS A 29 5.860 -7.272 -8.195 1.00 0.00 C ATOM 428 C CYS A 29 5.092 -8.551 -7.850 1.00 0.00 C ATOM 429 O CYS A 29 5.638 -9.456 -7.223 1.00 0.00 O ATOM 430 CB CYS A 29 7.043 -7.551 -9.124 1.00 0.00 C ATOM 431 SG CYS A 29 6.905 -6.531 -10.637 1.00 0.00 S ATOM 0 H CYS A 29 6.066 -7.179 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 29 5.206 -6.592 -8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.979 -7.330 -8.611 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.066 -8.608 -9.389 1.00 0.00 H new ATOM 0 HG CYS A 29 7.236 -7.244 -11.673 1.00 0.00 H new ATOM 437 N ASP A 30 3.838 -8.583 -8.277 1.00 0.00 N ATOM 438 CA ASP A 30 2.990 -9.734 -8.020 1.00 0.00 C ATOM 439 C ASP A 30 3.739 -11.010 -8.409 1.00 0.00 C ATOM 440 O ASP A 30 4.850 -10.947 -8.932 1.00 0.00 O ATOM 441 CB ASP A 30 1.706 -9.668 -8.850 1.00 0.00 C ATOM 442 CG ASP A 30 0.604 -10.636 -8.414 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.497 -10.647 -8.982 1.00 0.00 O ATOM 444 OD2 ASP A 30 0.918 -11.413 -7.433 1.00 0.00 O ATOM 0 H ASP A 30 3.389 -7.830 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 30 2.735 -9.736 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.314 -8.652 -8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.954 -9.869 -9.892 1.00 0.00 H new ATOM 450 N ALA A 31 3.101 -12.139 -8.138 1.00 0.00 N ATOM 451 CA ALA A 31 3.693 -13.428 -8.452 1.00 0.00 C ATOM 452 C ALA A 31 3.721 -13.615 -9.970 1.00 0.00 C ATOM 453 O ALA A 31 4.232 -14.618 -10.465 1.00 0.00 O ATOM 454 CB ALA A 31 2.913 -14.536 -7.742 1.00 0.00 C ATOM 0 H ALA A 31 2.179 -12.188 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 31 4.722 -13.475 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.358 -15.503 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.949 -14.373 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.876 -14.522 -8.077 1.00 0.00 H new ATOM 460 N PHE A 32 3.164 -12.635 -10.665 1.00 0.00 N ATOM 461 CA PHE A 32 3.118 -12.679 -12.116 1.00 0.00 C ATOM 462 C PHE A 32 3.950 -11.551 -12.726 1.00 0.00 C ATOM 463 O PHE A 32 4.250 -11.569 -13.920 1.00 0.00 O ATOM 464 CB PHE A 32 1.654 -12.495 -12.523 1.00 0.00 C ATOM 465 CG PHE A 32 0.746 -13.661 -12.129 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.585 -13.985 -10.818 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.100 -14.376 -13.090 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.257 -15.067 -10.452 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.742 -15.458 -12.723 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.903 -15.781 -11.413 1.00 0.00 C ATOM 0 H PHE A 32 2.740 -11.805 -10.250 1.00 0.00 H new ATOM 0 HA PHE A 32 3.524 -13.626 -12.472 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.273 -11.581 -12.067 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.603 -12.357 -13.603 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.098 -13.419 -10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.228 -14.120 -14.131 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.385 -15.324 -9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.255 -16.025 -13.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.544 -16.605 -11.135 1.00 0.00 H new ATOM 480 N CYS A 33 4.303 -10.594 -11.880 1.00 0.00 N ATOM 481 CA CYS A 33 5.094 -9.458 -12.321 1.00 0.00 C ATOM 482 C CYS A 33 4.668 -9.098 -13.745 1.00 0.00 C ATOM 483 O CYS A 33 5.476 -9.155 -14.672 1.00 0.00 O ATOM 484 CB CYS A 33 6.594 -9.745 -12.229 1.00 0.00 C ATOM 485 SG CYS A 33 7.520 -8.585 -13.299 1.00 0.00 S ATOM 0 H CYS A 33 4.055 -10.582 -10.891 1.00 0.00 H new ATOM 0 HA CYS A 33 4.912 -8.608 -11.664 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.929 -9.646 -11.196 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.795 -10.772 -12.533 1.00 0.00 H new ATOM 0 HG CYS A 33 7.070 -8.664 -14.516 1.00 0.00 H new ATOM 491 N SER A 34 3.400 -8.738 -13.877 1.00 0.00 N ATOM 492 CA SER A 34 2.858 -8.372 -15.173 1.00 0.00 C ATOM 493 C SER A 34 3.495 -7.067 -15.657 1.00 0.00 C ATOM 494 O SER A 34 4.289 -6.458 -14.942 1.00 0.00 O ATOM 495 CB SER A 34 1.335 -8.226 -15.113 1.00 0.00 C ATOM 496 OG SER A 34 0.696 -9.456 -14.780 1.00 0.00 O ATOM 0 H SER A 34 2.733 -8.692 -13.107 1.00 0.00 H new ATOM 0 HA SER A 34 3.093 -9.169 -15.878 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.072 -7.469 -14.375 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.966 -7.874 -16.076 1.00 0.00 H new ATOM 0 HG SER A 34 -0.274 -9.323 -14.750 1.00 0.00 H new ATOM 502 N SER A 35 3.122 -6.677 -16.868 1.00 0.00 N ATOM 503 CA SER A 35 3.648 -5.456 -17.456 1.00 0.00 C ATOM 504 C SER A 35 3.109 -4.239 -16.703 1.00 0.00 C ATOM 505 O SER A 35 3.511 -3.108 -16.975 1.00 0.00 O ATOM 506 CB SER A 35 3.292 -5.363 -18.941 1.00 0.00 C ATOM 507 OG SER A 35 3.635 -6.551 -19.647 1.00 0.00 O ATOM 0 H SER A 35 2.462 -7.185 -17.457 1.00 0.00 H new ATOM 0 HA SER A 35 4.735 -5.475 -17.371 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.224 -5.174 -19.047 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.811 -4.514 -19.386 1.00 0.00 H new ATOM 0 HG SER A 35 3.391 -6.453 -20.591 1.00 0.00 H new ATOM 513 N ARG A 36 2.210 -4.510 -15.769 1.00 0.00 N ATOM 514 CA ARG A 36 1.611 -3.452 -14.974 1.00 0.00 C ATOM 515 C ARG A 36 2.627 -2.904 -13.970 1.00 0.00 C ATOM 516 O ARG A 36 2.301 -2.033 -13.163 1.00 0.00 O ATOM 517 CB ARG A 36 0.380 -3.956 -14.222 1.00 0.00 C ATOM 518 CG ARG A 36 -0.551 -4.736 -15.153 1.00 0.00 C ATOM 519 CD ARG A 36 -1.183 -3.812 -16.196 1.00 0.00 C ATOM 520 NE ARG A 36 -2.559 -3.453 -15.787 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.480 -2.919 -16.617 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.179 -2.678 -17.911 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.680 -2.636 -16.146 1.00 0.00 N ATOM 0 H ARG A 36 1.881 -5.449 -15.545 1.00 0.00 H new ATOM 0 HA ARG A 36 1.304 -2.659 -15.655 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.691 -4.594 -13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.157 -3.112 -13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.008 -5.527 -15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.334 -5.220 -14.569 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.581 -2.910 -16.307 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.201 -4.305 -17.168 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.828 -3.619 -14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.250 -2.900 -18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.881 -2.274 -18.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.901 -2.821 -15.167 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.387 -2.232 -16.761 1.00 0.00 H new ATOM 537 N GLY A 37 3.837 -3.437 -14.049 1.00 0.00 N ATOM 538 CA GLY A 37 4.902 -3.014 -13.155 1.00 0.00 C ATOM 539 C GLY A 37 4.864 -3.803 -11.844 1.00 0.00 C ATOM 540 O GLY A 37 4.855 -5.033 -11.856 1.00 0.00 O ATOM 0 H GLY A 37 4.104 -4.159 -14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.867 -3.156 -13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.804 -1.949 -12.945 1.00 0.00 H new ATOM 544 N LYS A 38 4.843 -3.062 -10.746 1.00 0.00 N ATOM 545 CA LYS A 38 4.807 -3.679 -9.431 1.00 0.00 C ATOM 546 C LYS A 38 3.361 -3.716 -8.930 1.00 0.00 C ATOM 547 O LYS A 38 2.430 -3.463 -9.691 1.00 0.00 O ATOM 548 CB LYS A 38 5.769 -2.964 -8.479 1.00 0.00 C ATOM 549 CG LYS A 38 6.939 -2.344 -9.244 1.00 0.00 C ATOM 550 CD LYS A 38 7.474 -3.309 -10.304 1.00 0.00 C ATOM 551 CE LYS A 38 8.999 -3.232 -10.396 1.00 0.00 C ATOM 552 NZ LYS A 38 9.425 -3.049 -11.801 1.00 0.00 N ATOM 0 H LYS A 38 4.850 -2.042 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 38 5.154 -4.711 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.235 -2.187 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.147 -3.671 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.617 -1.418 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.737 -2.084 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.172 -4.327 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.035 -3.070 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.364 -2.404 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.440 -4.143 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.463 -2.999 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.093 -3.852 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.019 -2.167 -12.175 1.00 0.00 H new ATOM 566 N VAL A 39 3.219 -4.037 -7.651 1.00 0.00 N ATOM 567 CA VAL A 39 1.904 -4.113 -7.040 1.00 0.00 C ATOM 568 C VAL A 39 1.693 -2.893 -6.139 1.00 0.00 C ATOM 569 O VAL A 39 2.405 -1.896 -6.262 1.00 0.00 O ATOM 570 CB VAL A 39 1.748 -5.440 -6.294 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.275 -5.836 -6.182 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.564 -6.545 -6.969 1.00 0.00 C ATOM 0 H VAL A 39 3.994 -4.247 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 39 1.127 -4.092 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 39 2.135 -5.306 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.192 -6.782 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.269 -5.064 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.149 -5.944 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.437 -7.478 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.219 -6.677 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.618 -6.268 -6.974 1.00 0.00 H new ATOM 582 N VAL A 40 0.715 -3.012 -5.256 1.00 0.00 N ATOM 583 CA VAL A 40 0.401 -1.932 -4.335 1.00 0.00 C ATOM 584 C VAL A 40 -0.235 -2.513 -3.070 1.00 0.00 C ATOM 585 O VAL A 40 -1.451 -2.450 -2.899 1.00 0.00 O ATOM 586 CB VAL A 40 -0.484 -0.895 -5.028 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.332 0.481 -4.373 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.179 -0.825 -6.524 1.00 0.00 C ATOM 0 H VAL A 40 0.128 -3.840 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 40 1.310 -1.413 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.521 -1.210 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.972 1.200 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.622 0.419 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.706 0.805 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.822 -0.080 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.865 -0.546 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.361 -1.799 -6.978 1.00 0.00 H new ATOM 598 N GLU A 41 0.616 -3.065 -2.219 1.00 0.00 N ATOM 599 CA GLU A 41 0.152 -3.658 -0.976 1.00 0.00 C ATOM 600 C GLU A 41 0.195 -2.625 0.153 1.00 0.00 C ATOM 601 O GLU A 41 0.990 -2.750 1.083 1.00 0.00 O ATOM 602 CB GLU A 41 0.975 -4.897 -0.617 1.00 0.00 C ATOM 603 CG GLU A 41 1.278 -5.732 -1.862 1.00 0.00 C ATOM 604 CD GLU A 41 1.069 -7.223 -1.587 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.914 -7.622 -0.423 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.068 -7.977 -2.634 1.00 0.00 O ATOM 0 H GLU A 41 1.624 -3.114 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.881 -3.977 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.908 -4.593 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.431 -5.502 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.633 -5.416 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.306 -5.558 -2.180 1.00 0.00 H new ATOM 614 N LEU A 42 -0.670 -1.629 0.034 1.00 0.00 N ATOM 615 CA LEU A 42 -0.740 -0.575 1.031 1.00 0.00 C ATOM 616 C LEU A 42 -1.219 -1.167 2.359 1.00 0.00 C ATOM 617 O LEU A 42 -1.396 -2.379 2.474 1.00 0.00 O ATOM 618 CB LEU A 42 -1.604 0.584 0.528 1.00 0.00 C ATOM 619 CG LEU A 42 -1.585 0.827 -0.983 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.854 0.279 -1.641 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.369 2.308 -1.297 1.00 0.00 C ATOM 0 H LEU A 42 -1.329 -1.530 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 42 0.249 -0.151 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.634 0.403 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.279 1.497 1.027 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.741 0.283 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.816 0.464 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.924 -0.794 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.727 0.776 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.360 2.453 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.177 2.894 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.416 2.633 -0.879 1.00 0.00 H new ATOM 633 N GLY A 43 -1.416 -0.284 3.326 1.00 0.00 N ATOM 634 CA GLY A 43 -1.871 -0.704 4.641 1.00 0.00 C ATOM 635 C GLY A 43 -1.485 0.321 5.709 1.00 0.00 C ATOM 636 O GLY A 43 -1.420 1.518 5.430 1.00 0.00 O ATOM 0 H GLY A 43 -1.269 0.720 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.953 -0.834 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.436 -1.673 4.888 1.00 0.00 H new ATOM 640 N CYS A 44 -1.239 -0.183 6.909 1.00 0.00 N ATOM 641 CA CYS A 44 -0.862 0.674 8.019 1.00 0.00 C ATOM 642 C CYS A 44 0.607 0.409 8.353 1.00 0.00 C ATOM 643 O CYS A 44 1.130 -0.666 8.062 1.00 0.00 O ATOM 644 CB CYS A 44 -1.770 0.461 9.231 1.00 0.00 C ATOM 645 SG CYS A 44 -3.518 0.372 8.696 1.00 0.00 S ATOM 0 H CYS A 44 -1.294 -1.176 7.137 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.986 1.719 7.734 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.492 -0.458 9.747 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.640 1.277 9.941 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.930 1.558 8.360 1.00 0.00 H new ATOM 651 N ALA A 45 1.233 1.407 8.960 1.00 0.00 N ATOM 652 CA ALA A 45 2.631 1.297 9.338 1.00 0.00 C ATOM 653 C ALA A 45 3.020 2.500 10.199 1.00 0.00 C ATOM 654 O ALA A 45 2.552 3.613 9.963 1.00 0.00 O ATOM 655 CB ALA A 45 3.491 1.177 8.078 1.00 0.00 C ATOM 0 H ALA A 45 0.796 2.297 9.200 1.00 0.00 H new ATOM 0 HA ALA A 45 2.798 0.400 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.541 1.094 8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.195 0.290 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.351 2.061 7.456 1.00 0.00 H new ATOM 661 N ALA A 46 3.874 2.236 11.177 1.00 0.00 N ATOM 662 CA ALA A 46 4.330 3.284 12.075 1.00 0.00 C ATOM 663 C ALA A 46 4.841 4.467 11.251 1.00 0.00 C ATOM 664 O ALA A 46 4.498 5.616 11.529 1.00 0.00 O ATOM 665 CB ALA A 46 5.400 2.722 13.012 1.00 0.00 C ATOM 0 H ALA A 46 4.262 1.312 11.367 1.00 0.00 H new ATOM 0 HA ALA A 46 3.509 3.643 12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.743 3.507 13.686 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.979 1.902 13.594 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.242 2.355 12.425 1.00 0.00 H new ATOM 671 N THR A 47 5.653 4.147 10.254 1.00 0.00 N ATOM 672 CA THR A 47 6.214 5.169 9.388 1.00 0.00 C ATOM 673 C THR A 47 6.680 4.553 8.067 1.00 0.00 C ATOM 674 O THR A 47 6.871 3.342 7.977 1.00 0.00 O ATOM 675 CB THR A 47 7.333 5.877 10.157 1.00 0.00 C ATOM 676 OG1 THR A 47 8.187 4.819 10.580 1.00 0.00 O ATOM 677 CG2 THR A 47 6.840 6.504 11.462 1.00 0.00 C ATOM 0 H THR A 47 5.936 3.194 10.027 1.00 0.00 H new ATOM 0 HA THR A 47 5.465 5.912 9.116 1.00 0.00 H new ATOM 0 HB THR A 47 7.774 6.650 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.941 5.189 11.085 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.672 6.993 11.968 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.066 7.240 11.243 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.430 5.727 12.107 1.00 0.00 H new ATOM 685 N CYS A 48 6.848 5.417 7.076 1.00 0.00 N ATOM 686 CA CYS A 48 7.287 4.972 5.764 1.00 0.00 C ATOM 687 C CYS A 48 8.316 3.856 5.954 1.00 0.00 C ATOM 688 O CYS A 48 9.489 4.124 6.217 1.00 0.00 O ATOM 689 CB CYS A 48 7.847 6.129 4.932 1.00 0.00 C ATOM 690 SG CYS A 48 6.598 6.688 3.719 1.00 0.00 S ATOM 0 H CYS A 48 6.688 6.421 7.155 1.00 0.00 H new ATOM 0 HA CYS A 48 6.435 4.587 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.127 6.955 5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.752 5.811 4.414 1.00 0.00 H new ATOM 0 HG CYS A 48 5.445 6.163 4.010 1.00 0.00 H new ATOM 696 N PRO A 49 7.830 2.595 5.810 1.00 0.00 N ATOM 697 CA PRO A 49 8.695 1.436 5.964 1.00 0.00 C ATOM 698 C PRO A 49 9.600 1.263 4.742 1.00 0.00 C ATOM 699 O PRO A 49 10.395 0.326 4.683 1.00 0.00 O ATOM 700 CB PRO A 49 7.749 0.264 6.172 1.00 0.00 C ATOM 701 CG PRO A 49 6.392 0.728 5.667 1.00 0.00 C ATOM 702 CD PRO A 49 6.449 2.238 5.499 1.00 0.00 C ATOM 0 HA PRO A 49 9.381 1.531 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.090 -0.615 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.699 -0.016 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.153 0.247 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.607 0.452 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.183 2.534 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.750 2.738 6.170 1.00 0.00 H new ATOM 710 N SER A 50 9.452 2.182 3.800 1.00 0.00 N ATOM 711 CA SER A 50 10.247 2.143 2.585 1.00 0.00 C ATOM 712 C SER A 50 11.577 1.436 2.852 1.00 0.00 C ATOM 713 O SER A 50 12.184 1.623 3.905 1.00 0.00 O ATOM 714 CB SER A 50 10.496 3.553 2.043 1.00 0.00 C ATOM 715 OG SER A 50 10.079 3.684 0.686 1.00 0.00 O ATOM 0 H SER A 50 8.793 2.959 3.854 1.00 0.00 H new ATOM 0 HA SER A 50 9.691 1.586 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.962 4.277 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.557 3.789 2.121 1.00 0.00 H new ATOM 0 HG SER A 50 9.119 3.880 0.656 1.00 0.00 H new ATOM 721 N LYS A 51 11.991 0.636 1.879 1.00 0.00 N ATOM 722 CA LYS A 51 13.237 -0.101 1.997 1.00 0.00 C ATOM 723 C LYS A 51 14.358 0.688 1.316 1.00 0.00 C ATOM 724 O LYS A 51 14.720 1.774 1.767 1.00 0.00 O ATOM 725 CB LYS A 51 13.072 -1.523 1.457 1.00 0.00 C ATOM 726 CG LYS A 51 12.571 -2.470 2.551 1.00 0.00 C ATOM 727 CD LYS A 51 13.739 -3.052 3.349 1.00 0.00 C ATOM 728 CE LYS A 51 14.356 -1.995 4.267 1.00 0.00 C ATOM 729 NZ LYS A 51 13.324 -1.412 5.154 1.00 0.00 N ATOM 0 H LYS A 51 11.485 0.483 1.006 1.00 0.00 H new ATOM 0 HA LYS A 51 13.515 -0.212 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.370 -1.520 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.025 -1.882 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.899 -1.934 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.994 -3.278 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.393 -3.898 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.498 -3.433 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.148 -2.443 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.816 -1.209 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.783 -0.839 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.685 -0.811 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.778 -2.176 5.600 1.00 0.00 H new ATOM 743 N LYS A 52 14.876 0.113 0.241 1.00 0.00 N ATOM 744 CA LYS A 52 15.947 0.749 -0.506 1.00 0.00 C ATOM 745 C LYS A 52 15.940 0.227 -1.945 1.00 0.00 C ATOM 746 O LYS A 52 15.910 1.011 -2.892 1.00 0.00 O ATOM 747 CB LYS A 52 17.285 0.558 0.210 1.00 0.00 C ATOM 748 CG LYS A 52 17.220 1.081 1.646 1.00 0.00 C ATOM 749 CD LYS A 52 16.942 -0.052 2.633 1.00 0.00 C ATOM 750 CE LYS A 52 16.837 0.478 4.063 1.00 0.00 C ATOM 751 NZ LYS A 52 18.177 0.812 4.591 1.00 0.00 N ATOM 0 H LYS A 52 14.573 -0.787 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 52 15.789 1.826 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.550 -0.499 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.071 1.080 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.161 1.567 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.439 1.837 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.016 -0.557 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.739 -0.794 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.201 1.363 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.364 -0.269 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.095 1.106 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.794 -0.023 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.586 1.588 4.033 1.00 0.00 H new ATOM 765 N PRO A 53 15.966 -1.127 -2.066 1.00 0.00 N ATOM 766 CA PRO A 53 15.962 -1.762 -3.372 1.00 0.00 C ATOM 767 C PRO A 53 14.572 -1.698 -4.010 1.00 0.00 C ATOM 768 O PRO A 53 14.139 -0.637 -4.456 1.00 0.00 O ATOM 769 CB PRO A 53 16.435 -3.185 -3.121 1.00 0.00 C ATOM 770 CG PRO A 53 16.241 -3.430 -1.633 1.00 0.00 C ATOM 771 CD PRO A 53 16.000 -2.087 -0.965 1.00 0.00 C ATOM 0 HA PRO A 53 16.616 -1.259 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.861 -3.898 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.481 -3.305 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.396 -4.097 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.120 -3.915 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.063 -2.084 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.793 -1.849 -0.256 1.00 0.00 H new ATOM 779 N TYR A 54 13.913 -2.846 -4.030 1.00 0.00 N ATOM 780 CA TYR A 54 12.580 -2.934 -4.604 1.00 0.00 C ATOM 781 C TYR A 54 11.518 -2.491 -3.597 1.00 0.00 C ATOM 782 O TYR A 54 10.695 -1.629 -3.896 1.00 0.00 O ATOM 783 CB TYR A 54 12.363 -4.410 -4.941 1.00 0.00 C ATOM 784 CG TYR A 54 12.968 -5.377 -3.922 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.327 -5.622 -3.924 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.156 -6.004 -2.999 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.896 -6.532 -2.963 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.726 -6.914 -2.039 1.00 0.00 C ATOM 789 CZ TYR A 54 14.066 -7.132 -2.069 1.00 0.00 C ATOM 790 OH TYR A 54 14.605 -7.992 -1.162 1.00 0.00 O ATOM 0 H TYR A 54 14.276 -3.724 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 54 12.496 -2.289 -5.478 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.293 -4.601 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.793 -4.615 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.963 -5.132 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.093 -5.812 -2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.957 -6.733 -2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.102 -7.412 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 54 13.896 -8.346 -0.585 1.00 0.00 H new ATOM 800 N GLU A 55 11.572 -3.103 -2.422 1.00 0.00 N ATOM 801 CA GLU A 55 10.624 -2.783 -1.368 1.00 0.00 C ATOM 802 C GLU A 55 10.316 -1.283 -1.369 1.00 0.00 C ATOM 803 O GLU A 55 10.752 -0.557 -0.478 1.00 0.00 O ATOM 804 CB GLU A 55 11.148 -3.235 -0.004 1.00 0.00 C ATOM 805 CG GLU A 55 10.759 -4.687 0.279 1.00 0.00 C ATOM 806 CD GLU A 55 11.005 -5.044 1.746 1.00 0.00 C ATOM 807 OE1 GLU A 55 12.013 -5.693 2.066 1.00 0.00 O ATOM 808 OE2 GLU A 55 10.105 -4.622 2.568 1.00 0.00 O ATOM 0 H GLU A 55 12.257 -3.818 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 55 9.698 -3.324 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.233 -3.133 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.746 -2.588 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.708 -4.840 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.335 -5.353 -0.363 1.00 0.00 H new ATOM 816 N GLU A 56 9.566 -0.867 -2.379 1.00 0.00 N ATOM 817 CA GLU A 56 9.195 0.532 -2.506 1.00 0.00 C ATOM 818 C GLU A 56 7.921 0.818 -1.710 1.00 0.00 C ATOM 819 O GLU A 56 6.816 0.731 -2.245 1.00 0.00 O ATOM 820 CB GLU A 56 9.022 0.921 -3.977 1.00 0.00 C ATOM 821 CG GLU A 56 9.881 2.137 -4.327 1.00 0.00 C ATOM 822 CD GLU A 56 9.178 3.030 -5.350 1.00 0.00 C ATOM 823 OE1 GLU A 56 7.966 3.269 -5.236 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.935 3.485 -6.290 1.00 0.00 O ATOM 0 H GLU A 56 9.206 -1.473 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 56 10.000 1.141 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.298 0.081 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.974 1.142 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.092 2.709 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.840 1.806 -4.726 1.00 0.00 H new ATOM 832 N VAL A 57 8.116 1.156 -0.444 1.00 0.00 N ATOM 833 CA VAL A 57 6.995 1.455 0.432 1.00 0.00 C ATOM 834 C VAL A 57 6.808 2.971 0.511 1.00 0.00 C ATOM 835 O VAL A 57 7.735 3.731 0.237 1.00 0.00 O ATOM 836 CB VAL A 57 7.214 0.807 1.800 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.891 0.654 2.552 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.926 -0.541 1.663 1.00 0.00 C ATOM 0 H VAL A 57 9.033 1.230 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 57 6.073 1.034 0.032 1.00 0.00 H new ATOM 0 HB VAL A 57 7.857 1.467 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.075 0.191 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.440 1.636 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.214 0.027 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.069 -0.979 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.321 -1.212 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.896 -0.394 1.188 1.00 0.00 H new ATOM 848 N THR A 58 5.600 3.367 0.887 1.00 0.00 N ATOM 849 CA THR A 58 5.277 4.778 1.006 1.00 0.00 C ATOM 850 C THR A 58 4.584 5.056 2.341 1.00 0.00 C ATOM 851 O THR A 58 4.774 4.321 3.310 1.00 0.00 O ATOM 852 CB THR A 58 4.437 5.175 -0.209 1.00 0.00 C ATOM 853 OG1 THR A 58 4.952 4.369 -1.265 1.00 0.00 O ATOM 854 CG2 THR A 58 4.709 6.609 -0.666 1.00 0.00 C ATOM 0 H THR A 58 4.833 2.734 1.113 1.00 0.00 H new ATOM 0 HA THR A 58 6.178 5.391 1.010 1.00 0.00 H new ATOM 0 HB THR A 58 3.379 5.066 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.462 4.561 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.087 6.839 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.474 7.300 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.760 6.711 -0.937 1.00 0.00 H new ATOM 862 N CYS A 59 3.795 6.121 2.351 1.00 0.00 N ATOM 863 CA CYS A 59 3.073 6.506 3.553 1.00 0.00 C ATOM 864 C CYS A 59 1.685 7.001 3.141 1.00 0.00 C ATOM 865 O CYS A 59 1.376 7.077 1.951 1.00 0.00 O ATOM 866 CB CYS A 59 3.837 7.557 4.360 1.00 0.00 C ATOM 867 SG CYS A 59 4.742 6.754 5.734 1.00 0.00 S ATOM 0 H CYS A 59 3.640 6.729 1.547 1.00 0.00 H new ATOM 0 HA CYS A 59 2.970 5.643 4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.536 8.087 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.143 8.299 4.755 1.00 0.00 H new ATOM 0 HG CYS A 59 5.997 7.087 5.680 1.00 0.00 H new ATOM 873 N CYS A 60 0.884 7.323 4.145 1.00 0.00 N ATOM 874 CA CYS A 60 -0.464 7.809 3.902 1.00 0.00 C ATOM 875 C CYS A 60 -1.153 8.009 5.253 1.00 0.00 C ATOM 876 O CYS A 60 -1.418 7.044 5.968 1.00 0.00 O ATOM 877 CB CYS A 60 -1.251 6.861 2.995 1.00 0.00 C ATOM 878 SG CYS A 60 -2.922 6.578 3.686 1.00 0.00 S ATOM 0 H CYS A 60 1.142 7.257 5.130 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.421 8.761 3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.329 7.284 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.722 5.913 2.900 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.841 6.448 4.977 1.00 0.00 H new ATOM 884 N SER A 61 -1.424 9.268 5.563 1.00 0.00 N ATOM 885 CA SER A 61 -2.075 9.608 6.816 1.00 0.00 C ATOM 886 C SER A 61 -3.509 10.070 6.550 1.00 0.00 C ATOM 887 O SER A 61 -4.412 9.789 7.338 1.00 0.00 O ATOM 888 CB SER A 61 -1.299 10.693 7.564 1.00 0.00 C ATOM 889 OG SER A 61 -1.647 12.001 7.121 1.00 0.00 O ATOM 0 H SER A 61 -1.204 10.066 4.967 1.00 0.00 H new ATOM 0 HA SER A 61 -2.096 8.717 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.496 10.608 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.230 10.536 7.424 1.00 0.00 H new ATOM 0 HG SER A 61 -1.131 12.665 7.624 1.00 0.00 H new ATOM 895 N THR A 62 -3.676 10.771 5.438 1.00 0.00 N ATOM 896 CA THR A 62 -4.985 11.275 5.058 1.00 0.00 C ATOM 897 C THR A 62 -6.036 10.170 5.177 1.00 0.00 C ATOM 898 O THR A 62 -5.697 8.988 5.231 1.00 0.00 O ATOM 899 CB THR A 62 -4.876 11.862 3.650 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.518 11.630 3.281 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.009 13.386 3.639 1.00 0.00 C ATOM 0 H THR A 62 -2.925 11.002 4.787 1.00 0.00 H new ATOM 0 HA THR A 62 -5.314 12.067 5.730 1.00 0.00 H new ATOM 0 HB THR A 62 -5.647 11.426 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.310 10.678 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.924 13.751 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.979 13.669 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.218 13.825 4.247 1.00 0.00 H new ATOM 909 N ASP A 63 -7.292 10.593 5.213 1.00 0.00 N ATOM 910 CA ASP A 63 -8.395 9.654 5.325 1.00 0.00 C ATOM 911 C ASP A 63 -8.488 8.830 4.038 1.00 0.00 C ATOM 912 O ASP A 63 -8.961 9.322 3.015 1.00 0.00 O ATOM 913 CB ASP A 63 -9.724 10.387 5.514 1.00 0.00 C ATOM 914 CG ASP A 63 -10.149 10.589 6.971 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.648 9.911 7.882 1.00 0.00 O ATOM 916 OD2 ASP A 63 -11.044 11.498 7.156 1.00 0.00 O ATOM 0 H ASP A 63 -7.570 11.573 5.167 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.210 9.015 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.656 11.362 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.506 9.830 4.997 1.00 0.00 H new ATOM 922 N LYS A 64 -8.031 7.591 4.132 1.00 0.00 N ATOM 923 CA LYS A 64 -8.057 6.694 2.990 1.00 0.00 C ATOM 924 C LYS A 64 -7.144 7.247 1.893 1.00 0.00 C ATOM 925 O LYS A 64 -7.560 7.375 0.742 1.00 0.00 O ATOM 926 CB LYS A 64 -9.497 6.455 2.530 1.00 0.00 C ATOM 927 CG LYS A 64 -10.333 5.829 3.648 1.00 0.00 C ATOM 928 CD LYS A 64 -11.812 5.773 3.262 1.00 0.00 C ATOM 929 CE LYS A 64 -12.588 4.845 4.197 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.122 3.684 3.450 1.00 0.00 N ATOM 0 H LYS A 64 -7.640 7.186 4.983 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.668 5.714 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.945 7.399 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.500 5.800 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.970 4.823 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.214 6.408 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.240 6.775 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.910 5.424 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.936 4.500 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.407 5.392 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.357 2.921 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.979 3.968 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.406 3.347 2.775 1.00 0.00 H new ATOM 944 N CYS A 65 -5.919 7.558 2.288 1.00 0.00 N ATOM 945 CA CYS A 65 -4.944 8.093 1.354 1.00 0.00 C ATOM 946 C CYS A 65 -4.039 6.949 0.894 1.00 0.00 C ATOM 947 O CYS A 65 -2.886 7.174 0.527 1.00 0.00 O ATOM 948 CB CYS A 65 -4.143 9.244 1.967 1.00 0.00 C ATOM 949 SG CYS A 65 -3.751 8.869 3.716 1.00 0.00 S ATOM 0 H CYS A 65 -5.579 7.450 3.244 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.459 8.516 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.222 9.398 1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.714 10.170 1.904 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.916 7.598 3.935 1.00 0.00 H new ATOM 955 N ASN A 66 -4.594 5.746 0.931 1.00 0.00 N ATOM 956 CA ASN A 66 -3.851 4.566 0.525 1.00 0.00 C ATOM 957 C ASN A 66 -4.406 4.054 -0.807 1.00 0.00 C ATOM 958 O ASN A 66 -4.069 2.952 -1.241 1.00 0.00 O ATOM 959 CB ASN A 66 -3.988 3.446 1.555 1.00 0.00 C ATOM 960 CG ASN A 66 -2.629 3.085 2.158 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.392 1.971 2.597 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.753 4.085 2.155 1.00 0.00 N ATOM 0 H ASN A 66 -5.550 5.564 1.236 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.801 4.844 0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.670 3.757 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.426 2.566 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.817 3.944 2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.017 4.993 1.772 1.00 0.00 H new ATOM 969 N PRO A 67 -5.267 4.898 -1.434 1.00 0.00 N ATOM 970 CA PRO A 67 -5.871 4.543 -2.707 1.00 0.00 C ATOM 971 C PRO A 67 -4.860 4.670 -3.848 1.00 0.00 C ATOM 972 O PRO A 67 -4.969 5.570 -4.680 1.00 0.00 O ATOM 973 CB PRO A 67 -7.057 5.481 -2.856 1.00 0.00 C ATOM 974 CG PRO A 67 -6.803 6.629 -1.895 1.00 0.00 C ATOM 975 CD PRO A 67 -5.687 6.210 -0.950 1.00 0.00 C ATOM 0 HA PRO A 67 -6.197 3.503 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.143 5.842 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.991 4.971 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.522 7.529 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.708 6.865 -1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.862 6.922 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.039 6.158 0.080 1.00 0.00 H new ATOM 983 N HIS A 68 -3.900 3.757 -3.853 1.00 0.00 N ATOM 984 CA HIS A 68 -2.871 3.756 -4.876 1.00 0.00 C ATOM 985 C HIS A 68 -3.486 4.151 -6.222 1.00 0.00 C ATOM 986 O HIS A 68 -4.688 3.990 -6.430 1.00 0.00 O ATOM 987 CB HIS A 68 -2.153 2.406 -4.926 1.00 0.00 C ATOM 988 CG HIS A 68 -3.082 1.218 -4.977 1.00 0.00 C ATOM 989 ND1 HIS A 68 -3.020 0.261 -5.975 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.095 0.842 -4.144 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.958 -0.646 -5.744 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.623 -0.284 -4.609 1.00 0.00 N ATOM 0 H HIS A 68 -3.814 3.011 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.110 4.497 -4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.503 2.384 -5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.511 2.315 -4.050 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.364 0.255 -6.756 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.413 1.370 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.160 -1.518 -6.348 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.610 4.669 -7.123 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.055 5.087 -8.443 1.00 0.00 C ATOM 1003 C PRO A 69 -3.317 3.876 -9.342 1.00 0.00 C ATOM 1004 O PRO A 69 -2.380 3.262 -9.850 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.947 5.986 -8.965 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.722 5.670 -8.123 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.180 4.873 -6.913 1.00 0.00 C ATOM 0 HA PRO A 69 -4.004 5.622 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.755 5.796 -10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.222 7.037 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.003 5.100 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.227 6.589 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.651 3.923 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.989 5.415 -5.987 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.593 3.569 -9.510 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.990 2.443 -10.339 1.00 0.00 C ATOM 1017 C LYS A 70 -6.474 2.571 -10.689 1.00 0.00 C ATOM 1018 O LYS A 70 -6.877 2.282 -11.815 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.631 1.123 -9.654 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.761 1.363 -8.419 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.491 2.238 -7.397 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.961 1.831 -7.277 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.729 2.869 -6.553 1.00 0.00 N ATOM 0 H LYS A 70 -5.367 4.080 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.439 2.448 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.543 0.600 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.102 0.478 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.498 0.408 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.828 1.843 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.005 2.150 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.423 3.284 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.386 1.682 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.039 0.879 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.528 2.426 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.110 3.340 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.089 3.571 -7.231 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.247 3.003 -9.703 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.677 3.171 -9.894 1.00 0.00 C ATOM 1039 C GLN A 71 -8.951 4.030 -11.130 1.00 0.00 C ATOM 1040 O GLN A 71 -9.222 5.224 -11.013 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.329 3.777 -8.649 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.674 2.693 -7.626 1.00 0.00 C ATOM 1043 CD GLN A 71 -9.987 3.308 -6.260 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.133 2.958 -5.302 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -10.940 4.048 -6.088 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.910 3.241 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.120 2.188 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.654 4.505 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.234 4.314 -8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.532 2.118 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.840 1.997 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.556 4.276 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.121 4.440 -5.164 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.871 3.388 -12.287 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.105 4.078 -13.543 1.00 0.00 C ATOM 1056 C ARG A 72 -9.308 3.069 -14.674 1.00 0.00 C ATOM 1057 O ARG A 72 -8.532 2.125 -14.814 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.934 4.997 -13.894 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.948 5.362 -15.380 1.00 0.00 C ATOM 1060 CD ARG A 72 -7.640 6.846 -15.585 1.00 0.00 C ATOM 1061 NE ARG A 72 -8.869 7.649 -15.399 1.00 0.00 N ATOM 1062 CZ ARG A 72 -9.888 7.690 -16.285 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -9.831 6.973 -17.427 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -10.939 8.441 -16.016 1.00 0.00 N ATOM 0 H ARG A 72 -8.647 2.397 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.004 4.683 -13.425 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.987 5.905 -13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.994 4.504 -13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.214 4.758 -15.913 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.923 5.128 -15.806 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.875 7.168 -14.878 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.238 7.008 -16.585 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.952 8.206 -14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.015 6.395 -17.626 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.604 7.009 -18.091 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.973 8.979 -15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.717 8.484 -16.674 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.385 3.307 -15.472 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.699 2.430 -16.586 1.00 0.00 C ATOM 1080 C PRO A 73 -9.738 2.659 -17.754 1.00 0.00 C ATOM 1081 O PRO A 73 -9.736 3.729 -18.360 1.00 0.00 O ATOM 1082 CB PRO A 73 -12.144 2.743 -16.937 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.439 4.100 -16.318 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.324 4.415 -15.335 1.00 0.00 C ATOM 0 HA PRO A 73 -10.582 1.375 -16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.287 2.767 -18.017 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.816 1.980 -16.544 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.496 4.868 -17.090 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.403 4.087 -15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.849 5.368 -15.568 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.704 4.489 -14.316 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.943 1.636 -18.034 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.978 1.714 -19.118 1.00 0.00 C ATOM 1094 C GLY A 74 -7.200 0.404 -19.254 1.00 0.00 C ATOM 1095 O GLY A 74 -6.309 0.291 -20.094 1.00 0.00 O ATOM 0 H GLY A 74 -8.947 0.750 -17.529 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.493 1.934 -20.053 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.285 2.535 -18.935 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.247 -10.383 -10.816 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.640 -9.952 -9.486 1.00 0.00 C ATOM 1102 C HIS B 1 -6.402 -9.509 -8.705 1.00 0.00 C ATOM 1103 O HIS B 1 -5.750 -10.326 -8.054 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.433 -11.046 -8.772 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.217 -11.085 -7.277 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.493 -12.085 -6.651 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.637 -10.240 -6.294 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -7.483 -11.842 -5.349 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -8.193 -10.698 -5.129 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.064 -10.809 -11.298 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.912 -9.563 -11.362 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.483 -11.085 -10.742 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.307 -9.093 -9.560 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.495 -10.900 -8.972 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -8.159 -12.013 -9.194 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -9.230 -9.349 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -6.998 -12.444 -4.594 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -8.356 -10.266 -4.220 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.116 -8.218 -8.791 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.967 -7.657 -8.099 1.00 0.00 C ATOM 1120 C ARG B 2 -5.140 -6.148 -7.919 1.00 0.00 C ATOM 1121 O ARG B 2 -6.090 -5.563 -8.437 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.675 -7.927 -8.871 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.901 -9.094 -8.255 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.604 -8.611 -7.603 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.219 -9.523 -6.503 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.987 -9.768 -5.420 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.189 -9.170 -5.283 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.543 -10.602 -4.497 1.00 0.00 N ATOM 0 H ARG B 2 -6.660 -7.544 -9.329 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.901 -8.137 -7.123 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.909 -8.151 -9.912 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.053 -7.032 -8.869 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.522 -9.594 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.672 -9.830 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.808 -8.568 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.736 -7.600 -7.218 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.317 -9.996 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.524 -8.527 -6.001 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.763 -9.361 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.633 -11.049 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.110 -10.799 -3.672 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.208 -5.561 -7.184 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.246 -4.132 -6.929 1.00 0.00 C ATOM 1144 C TYR B 3 -3.005 -3.440 -7.497 1.00 0.00 C ATOM 1145 O TYR B 3 -2.446 -2.544 -6.868 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.250 -3.975 -5.406 1.00 0.00 C ATOM 1147 CG TYR B 3 -3.686 -5.182 -4.655 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -2.339 -5.248 -4.367 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -4.526 -6.205 -4.266 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -1.809 -6.385 -3.658 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -3.997 -7.342 -3.559 1.00 0.00 C ATOM 1152 CZ TYR B 3 -2.664 -7.376 -3.290 1.00 0.00 C ATOM 1153 OH TYR B 3 -2.163 -8.448 -2.621 1.00 0.00 O ATOM 0 H TYR B 3 -3.421 -6.050 -6.757 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.121 -3.682 -7.398 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.670 -3.091 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.272 -3.797 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -1.681 -4.448 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.581 -6.153 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -0.757 -6.449 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.644 -8.150 -3.249 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.716 -8.629 -1.832 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.610 -3.883 -8.682 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.446 -3.319 -9.343 1.00 0.00 C ATOM 1165 C TYR B 4 -1.573 -1.799 -9.474 1.00 0.00 C ATOM 1166 O TYR B 4 -2.587 -1.221 -9.084 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.412 -3.939 -10.740 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.404 -5.082 -10.890 1.00 0.00 C ATOM 1169 CD1 TYR B 4 0.891 -4.812 -11.282 1.00 0.00 C ATOM 1170 CD2 TYR B 4 -0.792 -6.380 -10.631 1.00 0.00 C ATOM 1171 CE1 TYR B 4 1.839 -5.888 -11.423 1.00 0.00 C ATOM 1172 CE2 TYR B 4 0.156 -7.455 -10.771 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.425 -7.156 -11.160 1.00 0.00 C ATOM 1174 OH TYR B 4 2.319 -8.171 -11.293 1.00 0.00 O ATOM 0 H TYR B 4 -3.076 -4.627 -9.201 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.541 -3.528 -8.772 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.407 -4.311 -10.985 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.174 -3.161 -11.466 1.00 0.00 H new ATOM 0 HD1 TYR B 4 1.194 -3.795 -11.483 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -1.806 -6.590 -10.324 1.00 0.00 H new ATOM 0 HE1 TYR B 4 2.855 -5.692 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -0.134 -8.476 -10.572 1.00 0.00 H new ATOM 0 HH TYR B 4 3.104 -7.991 -10.734 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.529 -1.196 -10.026 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.513 0.245 -10.214 1.00 0.00 C ATOM 1186 C GLU B 5 -1.064 0.607 -11.595 1.00 0.00 C ATOM 1187 O GLU B 5 -0.608 1.565 -12.216 1.00 0.00 O ATOM 1188 CB GLU B 5 0.898 0.806 -10.022 1.00 0.00 C ATOM 1189 CG GLU B 5 1.767 0.535 -11.251 1.00 0.00 C ATOM 1190 CD GLU B 5 2.799 1.647 -11.449 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.438 2.834 -11.453 1.00 0.00 O ATOM 1192 OE2 GLU B 5 4.014 1.243 -11.603 1.00 0.00 O ATOM 0 H GLU B 5 0.310 -1.678 -10.348 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.155 0.698 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.845 1.879 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.356 0.355 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.276 -0.422 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.136 0.457 -12.137 1.00 0.00 H new ATOM 1200 N SER B 6 -2.035 -0.180 -12.032 1.00 0.00 N ATOM 1201 CA SER B 6 -2.653 0.046 -13.329 1.00 0.00 C ATOM 1202 C SER B 6 -4.166 -0.150 -13.229 1.00 0.00 C ATOM 1203 O SER B 6 -4.896 0.117 -14.183 1.00 0.00 O ATOM 1204 CB SER B 6 -2.066 -0.889 -14.388 1.00 0.00 C ATOM 1205 OG SER B 6 -2.618 -0.645 -15.679 1.00 0.00 O ATOM 0 H SER B 6 -2.409 -0.974 -11.513 1.00 0.00 H new ATOM 0 HA SER B 6 -2.446 1.072 -13.633 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.984 -0.761 -14.426 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.254 -1.924 -14.103 1.00 0.00 H new ATOM 0 HG SER B 6 -3.558 -0.382 -15.589 1.00 0.00 H new ATOM 1211 N SER B 7 -4.595 -0.614 -12.062 1.00 0.00 N ATOM 1212 CA SER B 7 -6.009 -0.848 -11.826 1.00 0.00 C ATOM 1213 C SER B 7 -6.235 -1.249 -10.366 1.00 0.00 C ATOM 1214 O SER B 7 -5.280 -1.500 -9.632 1.00 0.00 O ATOM 1215 CB SER B 7 -6.553 -1.930 -12.762 1.00 0.00 C ATOM 1216 OG SER B 7 -7.927 -2.212 -12.510 1.00 0.00 O ATOM 0 H SER B 7 -3.988 -0.833 -11.272 1.00 0.00 H new ATOM 0 HA SER B 7 -6.548 0.077 -12.032 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.433 -1.608 -13.797 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.968 -2.842 -12.641 1.00 0.00 H new ATOM 0 HG SER B 7 -8.461 -1.406 -12.671 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.505 -1.295 -9.988 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.868 -1.660 -8.630 1.00 0.00 C ATOM 1224 C LEU B 8 -8.887 -2.801 -8.668 1.00 0.00 C ATOM 1225 O LEU B 8 -8.981 -3.585 -7.725 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.350 -0.431 -7.856 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.631 -0.644 -6.368 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -10.110 -0.956 -6.128 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.716 -1.723 -5.784 1.00 0.00 C ATOM 0 H LEU B 8 -8.294 -1.085 -10.599 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.997 -2.028 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.600 0.354 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.261 -0.063 -8.328 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.408 0.285 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.282 -1.103 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.719 -0.125 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.383 -1.863 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.938 -1.854 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.882 -2.664 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.675 -1.421 -5.902 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.624 -2.857 -9.768 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.632 -3.888 -9.940 1.00 0.00 C ATOM 1243 C GLU B 9 -9.984 -5.191 -10.413 1.00 0.00 C ATOM 1244 O GLU B 9 -9.015 -5.167 -11.172 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.721 -3.433 -10.913 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.302 -2.080 -10.495 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.495 -2.263 -9.554 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.555 -2.742 -9.984 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.292 -1.890 -8.336 1.00 0.00 O ATOM 0 H GLU B 9 -9.543 -2.205 -10.548 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.105 -4.070 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.307 -3.360 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.516 -4.178 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.532 -1.487 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.614 -1.525 -11.380 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.558 -6.327 -9.933 1.00 0.00 N ATOM 1258 CA PRO B 10 -10.046 -7.636 -10.299 1.00 0.00 C ATOM 1259 C PRO B 10 -10.443 -8.000 -11.731 1.00 0.00 C ATOM 1260 O PRO B 10 -10.546 -9.178 -12.070 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.624 -8.587 -9.263 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.801 -7.858 -8.637 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.706 -6.393 -9.033 1.00 0.00 C ATOM 0 HA PRO B 10 -8.957 -7.678 -10.296 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.944 -9.520 -9.726 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.879 -8.844 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.742 -8.286 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.781 -7.962 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.617 -6.056 -9.528 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.563 -5.755 -8.161 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.655 -6.967 -12.532 1.00 0.00 N ATOM 1272 CA TRP B 11 -11.039 -7.163 -13.920 1.00 0.00 C ATOM 1273 C TRP B 11 -10.037 -6.412 -14.799 1.00 0.00 C ATOM 1274 O TRP B 11 -9.667 -6.888 -15.870 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.486 -6.725 -14.155 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.260 -7.626 -15.119 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.326 -7.543 -16.455 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.081 -8.759 -14.764 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -14.125 -8.534 -16.987 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.599 -9.298 -15.926 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.377 -9.311 -13.506 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.443 -10.414 -15.942 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.223 -10.426 -13.539 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.752 -10.980 -14.699 1.00 0.00 C ATOM 0 H TRP B 11 -10.568 -5.991 -12.247 1.00 0.00 H new ATOM 0 HA TRP B 11 -11.008 -8.220 -14.183 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -13.008 -6.701 -13.198 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.488 -5.707 -14.545 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.817 -6.793 -17.042 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.330 -8.679 -17.976 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.983 -8.907 -12.586 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.835 -10.817 -16.864 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.483 -10.888 -12.598 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.399 -11.843 -14.642 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.626 -5.250 -14.312 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.673 -4.428 -15.039 1.00 0.00 C ATOM 1297 C TYR B 12 -7.244 -4.698 -14.567 1.00 0.00 C ATOM 1298 O TYR B 12 -6.309 -4.679 -15.367 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.038 -2.976 -14.719 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.160 -2.410 -15.592 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.393 -3.028 -15.619 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -9.937 -1.280 -16.354 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.448 -2.494 -16.440 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -10.992 -0.747 -17.175 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.195 -1.380 -17.179 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.192 -0.876 -17.954 1.00 0.00 O ATOM 0 H TYR B 12 -9.936 -4.858 -13.423 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.715 -4.644 -16.106 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.337 -2.909 -13.673 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.151 -2.354 -14.837 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.567 -3.913 -15.024 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -8.971 -0.797 -16.334 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.418 -2.967 -16.469 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -10.831 0.137 -17.775 1.00 0.00 H new ATOM 0 HH TYR B 12 -12.869 -0.079 -18.425 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.114 -4.949 -13.236 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.813 -5.223 -12.650 1.00 0.00 C ATOM 1318 C PRO B 13 -5.341 -6.635 -12.997 1.00 0.00 C ATOM 1319 O PRO B 13 -4.158 -6.852 -13.254 1.00 0.00 O ATOM 1320 CB PRO B 13 -6.005 -5.010 -11.156 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.504 -5.081 -10.912 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.200 -4.980 -12.261 1.00 0.00 C ATOM 0 HA PRO B 13 -5.030 -4.570 -13.036 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.480 -5.774 -10.582 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.604 -4.045 -10.845 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.766 -6.015 -10.416 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.823 -4.271 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.860 -5.830 -12.431 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.814 -4.082 -12.324 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.291 -7.560 -12.992 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.986 -8.946 -13.304 1.00 0.00 C ATOM 1332 C ASP B 14 -7.284 -9.756 -13.329 1.00 0.00 C ATOM 1333 O ASP B 14 -7.759 -10.139 -14.396 1.00 0.00 O ATOM 1334 CB ASP B 14 -5.066 -9.559 -12.245 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.081 -11.088 -12.182 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.724 -11.754 -13.007 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.388 -11.600 -11.224 1.00 0.00 O ATOM 0 H ASP B 14 -7.271 -7.376 -12.777 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.488 -8.972 -14.273 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -4.045 -9.228 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.350 -9.167 -11.268 1.00 0.00 H new TER 1343 ASP B 14