USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=37 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+ 132:sc= -4.69! (180deg=-4.29!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.42! K(o=-7.1!,f=-0.27) USER MOD Set 2.1: A 3 CYS SG : rot -90:sc= -11.4! USER MOD Set 2.2: A 16 CYS SG : rot 119:sc= -5.31! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -13.7! USER MOD Set 2.4: A 44 CYS SG : rot -74:sc= -12.3! USER MOD Set 2.5: A 60 CYS SG : rot -40:sc= -22.1! USER MOD Set 2.6: A 62 THR OG1 : rot 52:sc= -2.16! USER MOD Set 2.7: A 65 CYS SG : rot 13:sc= -28! USER MOD Set 2.8: A 66 ASN : amide:sc= -10.9! C(o=-1.1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot 14:sc= -13.5! USER MOD Set 3.2: A 59 CYS SG : rot 126:sc= -18.3! USER MOD Set 4.1: A 29 CYS SG : rot -144:sc= -3.88! USER MOD Set 4.2: A 33 CYS SG : rot -55:sc= 1.54 USER MOD Set 5.1: A 5 THR OG1 : rot -27:sc= 1.49 USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.6 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 1 ILE N :NH3+ -118:sc= -0.182 (180deg=-0.523) USER MOD Single : A 4 HIS : no HD1:sc= -14! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.02 USER MOD Single : A 12 SER OG : rot 180:sc= -0.546 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 21 ASN : amide:sc= -5.32! K(o=-5.3!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 90:sc= 0.00244 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 137:sc= -1.27 (180deg=-1.81!) 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 93:sc= 0.933 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.898 (180deg=-1.29) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0159) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= -0.0157 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -34.5! C(o=-35!,f=-40!) USER MOD Single : B 1 HIS : no HD1:sc= -1.87! K(o=-1.9!,f=-0.95) USER MOD Single : B 1 HIS N :NH3+ 172:sc= -13.9! (180deg=-14.5!) USER MOD Single : B 3 TYR OH : rot -60:sc= 0.527 USER MOD Single : B 4 TYR OH : rot 64:sc= -0.543 USER MOD Single : B 6 SER OG : rot -18:sc= -2.04! USER MOD Single : B 7 SER OG : rot 57:sc= -7.61! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.893 6.500 12.455 1.00 0.00 N ATOM 2 CA ILE A 1 -6.507 6.628 11.146 1.00 0.00 C ATOM 3 C ILE A 1 -6.780 5.235 10.576 1.00 0.00 C ATOM 4 O ILE A 1 -6.666 4.236 11.287 1.00 0.00 O ATOM 5 CB ILE A 1 -5.648 7.506 10.234 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.262 6.893 10.029 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.568 8.937 10.768 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.561 7.511 8.817 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.511 6.931 13.172 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.755 5.493 12.677 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.973 6.984 12.456 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.469 7.135 11.226 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.127 7.553 9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.656 7.048 10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.354 5.816 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.952 9.540 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.570 9.363 10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.125 8.929 11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.578 7.057 8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.157 7.333 7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.448 8.584 8.970 1.00 0.00 H new ATOM 20 N VAL A 2 -7.136 5.211 9.300 1.00 0.00 N ATOM 21 CA VAL A 2 -7.427 3.955 8.627 1.00 0.00 C ATOM 22 C VAL A 2 -6.537 3.827 7.391 1.00 0.00 C ATOM 23 O VAL A 2 -6.048 4.826 6.865 1.00 0.00 O ATOM 24 CB VAL A 2 -8.920 3.871 8.301 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.331 2.431 7.984 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.764 4.445 9.440 1.00 0.00 C ATOM 0 H VAL A 2 -7.230 6.041 8.714 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.202 3.110 9.278 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.104 4.475 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.396 2.399 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.765 2.072 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.125 1.796 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.821 4.373 9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.574 3.881 10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.500 5.491 9.597 1.00 0.00 H new ATOM 36 N CYS A 3 -6.351 2.586 6.962 1.00 0.00 N ATOM 37 CA CYS A 3 -5.526 2.313 5.797 1.00 0.00 C ATOM 38 C CYS A 3 -6.122 1.115 5.056 1.00 0.00 C ATOM 39 O CYS A 3 -6.734 0.243 5.671 1.00 0.00 O ATOM 40 CB CYS A 3 -4.064 2.076 6.182 1.00 0.00 C ATOM 41 SG CYS A 3 -3.633 3.079 7.651 1.00 0.00 S ATOM 0 H CYS A 3 -6.757 1.759 7.400 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.524 3.182 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.902 1.019 6.393 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.413 2.339 5.348 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.194 4.241 7.269 1.00 0.00 H new ATOM 47 N HIS A 4 -5.925 1.111 3.747 1.00 0.00 N ATOM 48 CA HIS A 4 -6.436 0.033 2.916 1.00 0.00 C ATOM 49 C HIS A 4 -5.442 -1.130 2.914 1.00 0.00 C ATOM 50 O HIS A 4 -4.233 -0.917 2.992 1.00 0.00 O ATOM 51 CB HIS A 4 -6.759 0.539 1.508 1.00 0.00 C ATOM 52 CG HIS A 4 -7.409 1.901 1.480 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.650 2.152 2.042 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.981 3.084 0.952 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.944 3.430 1.854 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.909 4.006 1.178 1.00 0.00 N ATOM 0 H HIS A 4 -5.418 1.837 3.240 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.374 -0.337 3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.838 0.575 0.926 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.418 -0.177 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.045 3.243 0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.845 3.928 2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.857 4.984 0.893 1.00 0.00 H new ATOM 65 N THR A 5 -5.989 -2.333 2.824 1.00 0.00 N ATOM 66 CA THR A 5 -5.165 -3.530 2.811 1.00 0.00 C ATOM 67 C THR A 5 -5.264 -4.231 1.456 1.00 0.00 C ATOM 68 O THR A 5 -6.330 -4.713 1.078 1.00 0.00 O ATOM 69 CB THR A 5 -5.596 -4.412 3.985 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.643 -5.215 3.449 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.271 -3.614 5.102 1.00 0.00 C ATOM 0 H THR A 5 -6.992 -2.505 2.759 1.00 0.00 H new ATOM 0 HA THR A 5 -4.110 -3.286 2.938 1.00 0.00 H new ATOM 0 HB THR A 5 -4.726 -4.931 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.076 -4.738 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.557 -4.288 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.578 -2.864 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.160 -3.120 4.710 1.00 0.00 H new ATOM 79 N THR A 6 -4.137 -4.266 0.759 1.00 0.00 N ATOM 80 CA THR A 6 -4.083 -4.900 -0.546 1.00 0.00 C ATOM 81 C THR A 6 -3.444 -6.286 -0.441 1.00 0.00 C ATOM 82 O THR A 6 -3.672 -7.145 -1.291 1.00 0.00 O ATOM 83 CB THR A 6 -3.341 -3.960 -1.498 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.927 -2.879 -0.667 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.273 -3.307 -2.521 1.00 0.00 C ATOM 0 H THR A 6 -3.254 -3.865 1.075 1.00 0.00 H new ATOM 0 HA THR A 6 -5.083 -5.068 -0.945 1.00 0.00 H new ATOM 0 HB THR A 6 -2.561 -4.514 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.698 -2.309 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.696 -2.650 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.754 -4.080 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.034 -2.725 -2.001 1.00 0.00 H new ATOM 93 N ALA A 7 -2.657 -6.461 0.611 1.00 0.00 N ATOM 94 CA ALA A 7 -1.983 -7.728 0.839 1.00 0.00 C ATOM 95 C ALA A 7 -2.972 -8.725 1.444 1.00 0.00 C ATOM 96 O ALA A 7 -3.111 -9.844 0.953 1.00 0.00 O ATOM 97 CB ALA A 7 -0.760 -7.503 1.731 1.00 0.00 C ATOM 0 H ALA A 7 -2.471 -5.746 1.315 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.626 -8.148 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.255 -8.453 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.075 -6.811 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.078 -7.084 2.686 1.00 0.00 H new ATOM 103 N THR A 8 -3.634 -8.283 2.504 1.00 0.00 N ATOM 104 CA THR A 8 -4.606 -9.123 3.182 1.00 0.00 C ATOM 105 C THR A 8 -5.867 -9.276 2.330 1.00 0.00 C ATOM 106 O THR A 8 -5.872 -10.018 1.348 1.00 0.00 O ATOM 107 CB THR A 8 -4.876 -8.516 4.561 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.749 -7.112 4.353 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.774 -8.844 5.570 1.00 0.00 C ATOM 0 H THR A 8 -3.516 -7.354 2.909 1.00 0.00 H new ATOM 0 HA THR A 8 -4.223 -10.134 3.324 1.00 0.00 H new ATOM 0 HB THR A 8 -5.833 -8.879 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.562 -6.770 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.014 -8.390 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.699 -9.925 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.823 -8.451 5.211 1.00 0.00 H new ATOM 117 N SER A 9 -6.908 -8.562 2.735 1.00 0.00 N ATOM 118 CA SER A 9 -8.171 -8.609 2.019 1.00 0.00 C ATOM 119 C SER A 9 -7.994 -8.053 0.605 1.00 0.00 C ATOM 120 O SER A 9 -6.875 -7.971 0.102 1.00 0.00 O ATOM 121 CB SER A 9 -9.255 -7.827 2.764 1.00 0.00 C ATOM 122 OG SER A 9 -8.988 -7.745 4.162 1.00 0.00 O ATOM 0 H SER A 9 -6.902 -7.948 3.550 1.00 0.00 H new ATOM 0 HA SER A 9 -8.489 -9.650 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.327 -6.822 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.221 -8.307 2.607 1.00 0.00 H new ATOM 0 HG SER A 9 -9.701 -7.237 4.602 1.00 0.00 H new ATOM 128 N PRO A 10 -9.145 -7.676 -0.013 1.00 0.00 N ATOM 129 CA PRO A 10 -9.127 -7.130 -1.360 1.00 0.00 C ATOM 130 C PRO A 10 -8.615 -5.689 -1.360 1.00 0.00 C ATOM 131 O PRO A 10 -7.672 -5.362 -2.078 1.00 0.00 O ATOM 132 CB PRO A 10 -10.561 -7.251 -1.852 1.00 0.00 C ATOM 133 CG PRO A 10 -11.416 -7.427 -0.607 1.00 0.00 C ATOM 134 CD PRO A 10 -10.489 -7.759 0.551 1.00 0.00 C ATOM 0 HA PRO A 10 -8.446 -7.665 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.859 -6.362 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.672 -8.101 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.978 -6.517 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.145 -8.224 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.617 -7.056 1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.691 -8.754 0.947 1.00 0.00 H new ATOM 142 N ILE A 11 -9.259 -4.864 -0.547 1.00 0.00 N ATOM 143 CA ILE A 11 -8.881 -3.466 -0.444 1.00 0.00 C ATOM 144 C ILE A 11 -9.991 -2.692 0.269 1.00 0.00 C ATOM 145 O ILE A 11 -11.008 -2.359 -0.338 1.00 0.00 O ATOM 146 CB ILE A 11 -8.527 -2.904 -1.823 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.027 -2.625 -1.935 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.366 -1.665 -2.143 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.678 -2.036 -3.303 1.00 0.00 C ATOM 0 H ILE A 11 -10.041 -5.138 0.047 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.980 -3.359 0.160 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.770 -3.659 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.723 -1.933 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.469 -3.549 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.094 -1.286 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.423 -1.930 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.179 -0.895 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.606 -1.847 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.961 -2.740 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.218 -1.100 -3.445 1.00 0.00 H new ATOM 161 N SER A 12 -9.759 -2.428 1.546 1.00 0.00 N ATOM 162 CA SER A 12 -10.727 -1.700 2.348 1.00 0.00 C ATOM 163 C SER A 12 -10.015 -0.957 3.480 1.00 0.00 C ATOM 164 O SER A 12 -9.083 -1.486 4.085 1.00 0.00 O ATOM 165 CB SER A 12 -11.790 -2.641 2.916 1.00 0.00 C ATOM 166 OG SER A 12 -11.267 -3.480 3.942 1.00 0.00 O ATOM 0 H SER A 12 -8.914 -2.705 2.046 1.00 0.00 H new ATOM 0 HA SER A 12 -11.228 -0.976 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.618 -2.054 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.194 -3.258 2.114 1.00 0.00 H new ATOM 0 HG SER A 12 -11.977 -4.065 4.280 1.00 0.00 H new ATOM 172 N ALA A 13 -10.481 0.257 3.733 1.00 0.00 N ATOM 173 CA ALA A 13 -9.901 1.078 4.783 1.00 0.00 C ATOM 174 C ALA A 13 -10.393 0.582 6.144 1.00 0.00 C ATOM 175 O ALA A 13 -11.504 0.904 6.561 1.00 0.00 O ATOM 176 CB ALA A 13 -10.251 2.547 4.535 1.00 0.00 C ATOM 0 H ALA A 13 -11.254 0.692 3.229 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.814 0.997 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.816 3.163 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.852 2.858 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.334 2.668 4.536 1.00 0.00 H new ATOM 182 N VAL A 14 -9.541 -0.194 6.799 1.00 0.00 N ATOM 183 CA VAL A 14 -9.877 -0.737 8.103 1.00 0.00 C ATOM 184 C VAL A 14 -8.774 -0.375 9.101 1.00 0.00 C ATOM 185 O VAL A 14 -7.597 -0.626 8.848 1.00 0.00 O ATOM 186 CB VAL A 14 -10.114 -2.245 7.997 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.681 -2.615 6.625 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.829 -3.025 8.287 1.00 0.00 C ATOM 0 H VAL A 14 -8.620 -0.459 6.451 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.806 -0.300 8.471 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.851 -2.522 8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.840 -3.692 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.630 -2.100 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.977 -2.316 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.026 -4.094 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.061 -2.741 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.484 -2.796 9.295 1.00 0.00 H new ATOM 198 N THR A 15 -9.195 0.208 10.213 1.00 0.00 N ATOM 199 CA THR A 15 -8.258 0.608 11.249 1.00 0.00 C ATOM 200 C THR A 15 -7.297 -0.538 11.570 1.00 0.00 C ATOM 201 O THR A 15 -7.695 -1.702 11.583 1.00 0.00 O ATOM 202 CB THR A 15 -9.065 1.081 12.459 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.062 1.932 11.901 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.260 2.005 13.375 1.00 0.00 C ATOM 0 H THR A 15 -10.173 0.413 10.420 1.00 0.00 H new ATOM 0 HA THR A 15 -7.629 1.434 10.916 1.00 0.00 H new ATOM 0 HB THR A 15 -9.408 0.216 13.026 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.632 2.282 12.617 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.879 2.312 14.218 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.381 1.476 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.945 2.887 12.817 1.00 0.00 H new ATOM 212 N CYS A 16 -6.049 -0.169 11.822 1.00 0.00 N ATOM 213 CA CYS A 16 -5.028 -1.152 12.142 1.00 0.00 C ATOM 214 C CYS A 16 -4.855 -1.187 13.661 1.00 0.00 C ATOM 215 O CYS A 16 -5.511 -0.438 14.382 1.00 0.00 O ATOM 216 CB CYS A 16 -3.711 -0.853 11.424 1.00 0.00 C ATOM 217 SG CYS A 16 -3.292 -2.224 10.287 1.00 0.00 S ATOM 0 H CYS A 16 -5.722 0.797 11.811 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.342 -2.135 11.791 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.795 0.080 10.866 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.912 -0.718 12.153 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.238 -1.776 9.068 1.00 0.00 H new ATOM 223 N PRO A 17 -3.945 -2.092 14.114 1.00 0.00 N ATOM 224 CA PRO A 17 -3.677 -2.234 15.536 1.00 0.00 C ATOM 225 C PRO A 17 -2.832 -1.070 16.055 1.00 0.00 C ATOM 226 O PRO A 17 -2.556 -0.122 15.320 1.00 0.00 O ATOM 227 CB PRO A 17 -2.982 -3.579 15.672 1.00 0.00 C ATOM 228 CG PRO A 17 -2.470 -3.926 14.282 1.00 0.00 C ATOM 229 CD PRO A 17 -3.149 -2.995 13.290 1.00 0.00 C ATOM 0 HA PRO A 17 -4.584 -2.205 16.139 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.162 -3.524 16.388 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.672 -4.340 16.035 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.387 -3.811 14.234 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.691 -4.966 14.042 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.417 -2.447 12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.776 -3.550 12.592 1.00 0.00 H new ATOM 237 N PRO A 18 -2.434 -1.181 17.351 1.00 0.00 N ATOM 238 CA PRO A 18 -1.626 -0.147 17.977 1.00 0.00 C ATOM 239 C PRO A 18 -0.177 -0.215 17.490 1.00 0.00 C ATOM 240 O PRO A 18 0.522 -1.196 17.739 1.00 0.00 O ATOM 241 CB PRO A 18 -1.762 -0.394 19.470 1.00 0.00 C ATOM 242 CG PRO A 18 -2.257 -1.823 19.615 1.00 0.00 C ATOM 243 CD PRO A 18 -2.741 -2.289 18.250 1.00 0.00 C ATOM 0 HA PRO A 18 -1.957 0.859 17.721 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.806 -0.259 19.976 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.463 0.309 19.920 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.458 -2.469 19.978 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.065 -1.875 20.345 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.234 -3.203 17.940 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.809 -2.506 18.261 1.00 0.00 H new ATOM 251 N GLY A 19 0.232 0.843 16.803 1.00 0.00 N ATOM 252 CA GLY A 19 1.584 0.915 16.278 1.00 0.00 C ATOM 253 C GLY A 19 1.644 1.810 15.037 1.00 0.00 C ATOM 254 O GLY A 19 2.399 2.781 15.004 1.00 0.00 O ATOM 0 H GLY A 19 -0.349 1.656 16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.255 1.304 17.044 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.934 -0.086 16.026 1.00 0.00 H new ATOM 258 N GLU A 20 0.837 1.450 14.049 1.00 0.00 N ATOM 259 CA GLU A 20 0.789 2.208 12.811 1.00 0.00 C ATOM 260 C GLU A 20 0.217 3.604 13.064 1.00 0.00 C ATOM 261 O GLU A 20 -0.989 3.761 13.246 1.00 0.00 O ATOM 262 CB GLU A 20 -0.024 1.468 11.747 1.00 0.00 C ATOM 263 CG GLU A 20 0.592 0.101 11.438 1.00 0.00 C ATOM 264 CD GLU A 20 0.042 -0.974 12.380 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.230 -2.173 12.127 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.601 -0.525 13.403 1.00 0.00 O ATOM 0 H GLU A 20 0.212 0.644 14.081 1.00 0.00 H new ATOM 0 HA GLU A 20 1.806 2.316 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.050 1.339 12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.067 2.066 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.379 -0.173 10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.676 0.156 11.537 1.00 0.00 H new ATOM 274 N ASN A 21 1.110 4.582 13.067 1.00 0.00 N ATOM 275 CA ASN A 21 0.711 5.960 13.296 1.00 0.00 C ATOM 276 C ASN A 21 0.263 6.584 11.971 1.00 0.00 C ATOM 277 O ASN A 21 0.041 7.791 11.892 1.00 0.00 O ATOM 278 CB ASN A 21 1.875 6.791 13.839 1.00 0.00 C ATOM 279 CG ASN A 21 2.608 6.041 14.953 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.755 6.313 15.269 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.886 5.086 15.529 1.00 0.00 N ATOM 0 H ASN A 21 2.109 4.447 12.914 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.100 5.958 14.025 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.570 7.022 13.032 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.502 7.742 14.220 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.286 4.529 16.284 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.931 4.910 15.216 1.00 0.00 H new ATOM 288 N LEU A 22 0.143 5.731 10.964 1.00 0.00 N ATOM 289 CA LEU A 22 -0.273 6.182 9.648 1.00 0.00 C ATOM 290 C LEU A 22 -0.419 4.974 8.721 1.00 0.00 C ATOM 291 O LEU A 22 -0.408 3.832 9.177 1.00 0.00 O ATOM 292 CB LEU A 22 0.687 7.251 9.120 1.00 0.00 C ATOM 293 CG LEU A 22 2.097 6.771 8.770 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.359 6.880 7.267 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.149 7.521 9.591 1.00 0.00 C ATOM 0 H LEU A 22 0.327 4.730 11.034 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.250 6.662 9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.246 7.700 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.768 8.040 9.868 1.00 0.00 H new ATOM 0 HG LEU A 22 2.173 5.716 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.368 6.532 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.638 6.266 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.257 7.919 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.143 7.162 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.081 8.589 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.974 7.347 10.653 1.00 0.00 H new ATOM 307 N CYS A 23 -0.553 5.267 7.435 1.00 0.00 N ATOM 308 CA CYS A 23 -0.700 4.218 6.440 1.00 0.00 C ATOM 309 C CYS A 23 0.607 4.115 5.653 1.00 0.00 C ATOM 310 O CYS A 23 1.604 4.737 6.015 1.00 0.00 O ATOM 311 CB CYS A 23 -1.900 4.472 5.525 1.00 0.00 C ATOM 312 SG CYS A 23 -3.226 5.329 6.452 1.00 0.00 S ATOM 0 H CYS A 23 -0.563 6.215 7.060 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.899 3.268 6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.594 5.075 4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.273 3.527 5.131 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.975 4.451 7.050 1.00 0.00 H new ATOM 318 N TYR A 24 0.558 3.327 4.589 1.00 0.00 N ATOM 319 CA TYR A 24 1.727 3.134 3.748 1.00 0.00 C ATOM 320 C TYR A 24 1.344 2.476 2.420 1.00 0.00 C ATOM 321 O TYR A 24 0.228 1.981 2.268 1.00 0.00 O ATOM 322 CB TYR A 24 2.653 2.192 4.520 1.00 0.00 C ATOM 323 CG TYR A 24 2.243 0.720 4.453 1.00 0.00 C ATOM 324 CD1 TYR A 24 1.383 0.199 5.399 1.00 0.00 C ATOM 325 CD2 TYR A 24 2.731 -0.086 3.446 1.00 0.00 C ATOM 326 CE1 TYR A 24 0.996 -1.185 5.335 1.00 0.00 C ATOM 327 CE2 TYR A 24 2.344 -1.472 3.382 1.00 0.00 C ATOM 328 CZ TYR A 24 1.496 -1.954 4.330 1.00 0.00 C ATOM 329 OH TYR A 24 1.131 -3.262 4.270 1.00 0.00 O ATOM 0 H TYR A 24 -0.272 2.815 4.290 1.00 0.00 H new ATOM 0 HA TYR A 24 2.198 4.091 3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.665 2.294 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.681 2.503 5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.001 0.831 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.403 0.322 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.323 -1.604 6.069 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.719 -2.114 2.599 1.00 0.00 H new ATOM 0 HH TYR A 24 0.325 -3.352 3.719 1.00 0.00 H new ATOM 339 N ARG A 25 2.291 2.493 1.493 1.00 0.00 N ATOM 340 CA ARG A 25 2.067 1.904 0.184 1.00 0.00 C ATOM 341 C ARG A 25 3.294 1.104 -0.257 1.00 0.00 C ATOM 342 O ARG A 25 4.272 1.675 -0.739 1.00 0.00 O ATOM 343 CB ARG A 25 1.768 2.982 -0.860 1.00 0.00 C ATOM 344 CG ARG A 25 0.978 4.137 -0.244 1.00 0.00 C ATOM 345 CD ARG A 25 1.112 5.406 -1.090 1.00 0.00 C ATOM 346 NE ARG A 25 -0.227 5.870 -1.521 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.452 6.594 -2.638 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.570 6.945 -3.446 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.689 6.956 -2.926 1.00 0.00 N ATOM 0 H ARG A 25 3.215 2.905 1.623 1.00 0.00 H new ATOM 0 HA ARG A 25 1.206 1.240 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.702 3.358 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.202 2.548 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.073 3.860 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.337 4.330 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.609 6.187 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.736 5.208 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.028 5.628 -0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.523 6.663 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.390 7.492 -4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.456 6.688 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.878 7.503 -3.766 1.00 0.00 H new ATOM 363 N LYS A 26 3.204 -0.206 -0.074 1.00 0.00 N ATOM 364 CA LYS A 26 4.296 -1.088 -0.446 1.00 0.00 C ATOM 365 C LYS A 26 4.206 -1.404 -1.940 1.00 0.00 C ATOM 366 O LYS A 26 3.130 -1.330 -2.530 1.00 0.00 O ATOM 367 CB LYS A 26 4.306 -2.333 0.446 1.00 0.00 C ATOM 368 CG LYS A 26 5.601 -2.415 1.258 1.00 0.00 C ATOM 369 CD LYS A 26 5.528 -3.544 2.289 1.00 0.00 C ATOM 370 CE LYS A 26 5.229 -2.993 3.684 1.00 0.00 C ATOM 371 NZ LYS A 26 6.119 -3.614 4.690 1.00 0.00 N ATOM 0 H LYS A 26 2.392 -0.676 0.327 1.00 0.00 H new ATOM 0 HA LYS A 26 5.255 -0.597 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.450 -2.308 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.201 -3.227 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.445 -2.582 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.779 -1.466 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.753 -4.255 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.472 -4.089 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.363 -1.911 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.188 -3.187 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.902 -3.228 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.972 -4.643 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.110 -3.407 4.451 1.00 0.00 H new ATOM 385 N MET A 27 5.351 -1.749 -2.511 1.00 0.00 N ATOM 386 CA MET A 27 5.415 -2.075 -3.925 1.00 0.00 C ATOM 387 C MET A 27 6.520 -3.095 -4.203 1.00 0.00 C ATOM 388 O MET A 27 7.540 -3.114 -3.516 1.00 0.00 O ATOM 389 CB MET A 27 5.679 -0.801 -4.731 1.00 0.00 C ATOM 390 CG MET A 27 4.436 -0.384 -5.519 1.00 0.00 C ATOM 391 SD MET A 27 4.470 1.374 -5.827 1.00 0.00 S ATOM 392 CE MET A 27 2.768 1.639 -6.293 1.00 0.00 C ATOM 0 H MET A 27 6.242 -1.810 -2.019 1.00 0.00 H new ATOM 0 HA MET A 27 4.462 -2.512 -4.222 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.975 0.004 -4.059 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.510 -0.966 -5.416 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.395 -0.926 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.537 -0.647 -4.962 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.397 2.545 -5.815 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.700 1.746 -7.376 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.167 0.788 -5.974 1.00 0.00 H new ATOM 402 N TRP A 28 6.281 -3.919 -5.214 1.00 0.00 N ATOM 403 CA TRP A 28 7.244 -4.939 -5.591 1.00 0.00 C ATOM 404 C TRP A 28 6.859 -5.463 -6.975 1.00 0.00 C ATOM 405 O TRP A 28 7.140 -4.821 -7.987 1.00 0.00 O ATOM 406 CB TRP A 28 7.319 -6.041 -4.533 1.00 0.00 C ATOM 407 CG TRP A 28 6.000 -6.290 -3.799 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.845 -6.737 -4.308 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.747 -6.082 -2.393 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.869 -6.835 -3.337 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.435 -6.423 -2.136 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.598 -5.621 -1.373 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.857 -6.340 -0.863 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.005 -5.544 -0.107 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.686 -5.884 0.169 1.00 0.00 C ATOM 0 H TRP A 28 5.435 -3.900 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 28 8.249 -4.520 -5.645 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.638 -6.968 -5.010 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.085 -5.778 -3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.696 -6.989 -5.348 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.909 -7.151 -3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.627 -5.348 -1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.827 -6.613 -0.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.616 -5.196 0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.302 -5.797 1.175 1.00 0.00 H new ATOM 426 N CYS A 29 6.223 -6.626 -6.976 1.00 0.00 N ATOM 427 CA CYS A 29 5.796 -7.245 -8.220 1.00 0.00 C ATOM 428 C CYS A 29 4.980 -8.494 -7.881 1.00 0.00 C ATOM 429 O CYS A 29 5.476 -9.400 -7.214 1.00 0.00 O ATOM 430 CB CYS A 29 6.985 -7.568 -9.128 1.00 0.00 C ATOM 431 SG CYS A 29 6.920 -6.534 -10.637 1.00 0.00 S ATOM 0 H CYS A 29 5.993 -7.156 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 29 5.173 -6.548 -8.781 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.919 -7.390 -8.595 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.969 -8.624 -9.400 1.00 0.00 H new ATOM 0 HG CYS A 29 7.355 -7.220 -11.652 1.00 0.00 H new ATOM 437 N ASP A 30 3.744 -8.501 -8.355 1.00 0.00 N ATOM 438 CA ASP A 30 2.856 -9.623 -8.110 1.00 0.00 C ATOM 439 C ASP A 30 3.584 -10.928 -8.440 1.00 0.00 C ATOM 440 O ASP A 30 4.734 -10.906 -8.876 1.00 0.00 O ATOM 441 CB ASP A 30 1.608 -9.543 -8.993 1.00 0.00 C ATOM 442 CG ASP A 30 0.507 -10.548 -8.650 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.421 -11.040 -7.515 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.298 -10.827 -9.620 1.00 0.00 O ATOM 0 H ASP A 30 3.336 -7.747 -8.908 1.00 0.00 H new ATOM 0 HA ASP A 30 2.559 -9.593 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.195 -8.537 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.906 -9.693 -10.031 1.00 0.00 H new ATOM 450 N ALA A 31 2.884 -12.031 -8.222 1.00 0.00 N ATOM 451 CA ALA A 31 3.452 -13.342 -8.490 1.00 0.00 C ATOM 452 C ALA A 31 3.528 -13.559 -10.003 1.00 0.00 C ATOM 453 O ALA A 31 3.985 -14.605 -10.461 1.00 0.00 O ATOM 454 CB ALA A 31 2.614 -14.414 -7.789 1.00 0.00 C ATOM 0 H ALA A 31 1.929 -12.045 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 31 4.466 -13.410 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.039 -15.397 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.614 -14.231 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.591 -14.378 -8.163 1.00 0.00 H new ATOM 460 N PHE A 32 3.071 -12.554 -10.737 1.00 0.00 N ATOM 461 CA PHE A 32 3.081 -12.623 -12.188 1.00 0.00 C ATOM 462 C PHE A 32 3.966 -11.526 -12.782 1.00 0.00 C ATOM 463 O PHE A 32 4.339 -11.590 -13.953 1.00 0.00 O ATOM 464 CB PHE A 32 1.640 -12.409 -12.656 1.00 0.00 C ATOM 465 CG PHE A 32 0.695 -13.561 -12.307 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.493 -13.903 -11.007 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.058 -14.242 -13.297 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.386 -14.973 -10.683 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.818 -15.310 -12.974 1.00 0.00 C ATOM 470 CZ PHE A 32 -1.022 -15.654 -11.674 1.00 0.00 C ATOM 0 H PHE A 32 2.692 -11.688 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 32 3.475 -13.586 -12.512 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.257 -11.491 -12.211 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.637 -12.265 -13.736 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.000 -13.363 -10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.219 -13.970 -14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.549 -15.245 -9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.323 -15.850 -13.761 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.689 -16.467 -11.429 1.00 0.00 H new ATOM 480 N CYS A 33 4.275 -10.543 -11.949 1.00 0.00 N ATOM 481 CA CYS A 33 5.109 -9.434 -12.377 1.00 0.00 C ATOM 482 C CYS A 33 4.752 -9.095 -13.826 1.00 0.00 C ATOM 483 O CYS A 33 5.595 -9.191 -14.716 1.00 0.00 O ATOM 484 CB CYS A 33 6.597 -9.748 -12.215 1.00 0.00 C ATOM 485 SG CYS A 33 7.594 -8.612 -13.248 1.00 0.00 S ATOM 0 H CYS A 33 3.962 -10.492 -10.979 1.00 0.00 H new ATOM 0 HA CYS A 33 4.917 -8.568 -11.744 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.886 -9.649 -11.169 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.792 -10.781 -12.503 1.00 0.00 H new ATOM 0 HG CYS A 33 7.194 -8.684 -14.483 1.00 0.00 H new ATOM 491 N SER A 34 3.499 -8.707 -14.017 1.00 0.00 N ATOM 492 CA SER A 34 3.019 -8.355 -15.343 1.00 0.00 C ATOM 493 C SER A 34 3.591 -6.999 -15.763 1.00 0.00 C ATOM 494 O SER A 34 4.295 -6.352 -14.990 1.00 0.00 O ATOM 495 CB SER A 34 1.490 -8.322 -15.386 1.00 0.00 C ATOM 496 OG SER A 34 0.924 -9.615 -15.191 1.00 0.00 O ATOM 0 H SER A 34 2.802 -8.629 -13.276 1.00 0.00 H new ATOM 0 HA SER A 34 3.358 -9.119 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.120 -7.644 -14.617 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.163 -7.924 -16.346 1.00 0.00 H new ATOM 0 HG SER A 34 -0.053 -9.552 -15.223 1.00 0.00 H new ATOM 502 N SER A 35 3.267 -6.608 -16.987 1.00 0.00 N ATOM 503 CA SER A 35 3.739 -5.342 -17.520 1.00 0.00 C ATOM 504 C SER A 35 3.162 -4.184 -16.702 1.00 0.00 C ATOM 505 O SER A 35 3.577 -3.037 -16.866 1.00 0.00 O ATOM 506 CB SER A 35 3.363 -5.190 -18.995 1.00 0.00 C ATOM 507 OG SER A 35 3.685 -6.354 -19.751 1.00 0.00 O ATOM 0 H SER A 35 2.682 -7.147 -17.626 1.00 0.00 H new ATOM 0 HA SER A 35 4.826 -5.324 -17.448 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.295 -4.988 -19.078 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.884 -4.329 -19.415 1.00 0.00 H new ATOM 0 HG SER A 35 3.428 -6.218 -20.687 1.00 0.00 H new ATOM 513 N ARG A 36 2.215 -4.524 -15.840 1.00 0.00 N ATOM 514 CA ARG A 36 1.577 -3.526 -14.998 1.00 0.00 C ATOM 515 C ARG A 36 2.579 -2.967 -13.987 1.00 0.00 C ATOM 516 O ARG A 36 2.235 -2.104 -13.179 1.00 0.00 O ATOM 517 CB ARG A 36 0.384 -4.120 -14.248 1.00 0.00 C ATOM 518 CG ARG A 36 -0.561 -4.846 -15.209 1.00 0.00 C ATOM 519 CD ARG A 36 -1.282 -3.854 -16.124 1.00 0.00 C ATOM 520 NE ARG A 36 -2.555 -3.427 -15.504 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.620 -2.970 -16.198 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.571 -2.878 -17.544 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.708 -2.616 -15.540 1.00 0.00 N ATOM 0 H ARG A 36 1.874 -5.476 -15.706 1.00 0.00 H new ATOM 0 HA ARG A 36 1.222 -2.724 -15.645 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.738 -4.815 -13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.156 -3.327 -13.730 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.004 -5.558 -15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.293 -5.420 -14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.647 -2.987 -16.305 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.476 -4.315 -17.092 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.634 -3.481 -14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.726 -3.155 -18.044 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.379 -2.532 -18.061 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.736 -2.690 -14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.521 -2.269 -16.048 1.00 0.00 H new ATOM 537 N GLY A 37 3.798 -3.480 -14.063 1.00 0.00 N ATOM 538 CA GLY A 37 4.853 -3.043 -13.164 1.00 0.00 C ATOM 539 C GLY A 37 4.808 -3.820 -11.847 1.00 0.00 C ATOM 540 O GLY A 37 4.762 -5.050 -11.850 1.00 0.00 O ATOM 0 H GLY A 37 4.079 -4.195 -14.734 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.823 -3.184 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.747 -1.977 -12.965 1.00 0.00 H new ATOM 544 N LYS A 38 4.821 -3.073 -10.754 1.00 0.00 N ATOM 545 CA LYS A 38 4.783 -3.677 -9.433 1.00 0.00 C ATOM 546 C LYS A 38 3.336 -3.718 -8.937 1.00 0.00 C ATOM 547 O LYS A 38 2.407 -3.480 -9.706 1.00 0.00 O ATOM 548 CB LYS A 38 5.738 -2.949 -8.483 1.00 0.00 C ATOM 549 CG LYS A 38 6.913 -2.339 -9.249 1.00 0.00 C ATOM 550 CD LYS A 38 7.454 -3.316 -10.294 1.00 0.00 C ATOM 551 CE LYS A 38 8.982 -3.263 -10.356 1.00 0.00 C ATOM 552 NZ LYS A 38 9.426 -2.417 -11.486 1.00 0.00 N ATOM 0 H LYS A 38 4.857 -2.054 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 38 5.136 -4.708 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.200 -2.165 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.111 -3.646 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.594 -1.418 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.707 -2.071 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.131 -4.329 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.038 -3.075 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.376 -2.866 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.382 -4.270 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.465 -2.392 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.065 -2.812 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.060 -1.452 -11.362 1.00 0.00 H new ATOM 566 N VAL A 39 3.192 -4.024 -7.656 1.00 0.00 N ATOM 567 CA VAL A 39 1.875 -4.101 -7.050 1.00 0.00 C ATOM 568 C VAL A 39 1.658 -2.879 -6.154 1.00 0.00 C ATOM 569 O VAL A 39 2.355 -1.875 -6.289 1.00 0.00 O ATOM 570 CB VAL A 39 1.719 -5.426 -6.300 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.246 -5.821 -6.184 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.533 -6.534 -6.971 1.00 0.00 C ATOM 0 H VAL A 39 3.966 -4.221 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 39 1.101 -4.084 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 39 2.108 -5.288 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.164 -6.766 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.297 -5.047 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.181 -5.932 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.405 -7.465 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.187 -6.670 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.587 -6.258 -6.977 1.00 0.00 H new ATOM 582 N VAL A 40 0.687 -3.004 -5.260 1.00 0.00 N ATOM 583 CA VAL A 40 0.370 -1.922 -4.343 1.00 0.00 C ATOM 584 C VAL A 40 -0.269 -2.502 -3.080 1.00 0.00 C ATOM 585 O VAL A 40 -1.485 -2.439 -2.909 1.00 0.00 O ATOM 586 CB VAL A 40 -0.517 -0.890 -5.041 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.378 0.485 -4.384 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.201 -0.815 -6.536 1.00 0.00 C ATOM 0 H VAL A 40 0.110 -3.838 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 40 1.277 -1.400 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.553 -1.212 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.019 1.201 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.675 0.420 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.659 0.815 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.846 -0.074 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.842 -0.529 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.373 -1.789 -6.994 1.00 0.00 H new ATOM 598 N GLU A 41 0.581 -3.054 -2.226 1.00 0.00 N ATOM 599 CA GLU A 41 0.115 -3.645 -0.983 1.00 0.00 C ATOM 600 C GLU A 41 0.162 -2.612 0.145 1.00 0.00 C ATOM 601 O GLU A 41 0.963 -2.734 1.070 1.00 0.00 O ATOM 602 CB GLU A 41 0.934 -4.885 -0.624 1.00 0.00 C ATOM 603 CG GLU A 41 1.230 -5.726 -1.868 1.00 0.00 C ATOM 604 CD GLU A 41 1.022 -7.215 -1.585 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.816 -7.604 -0.426 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.078 -7.980 -2.624 1.00 0.00 O ATOM 0 H GLU A 41 1.589 -3.104 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.919 -3.961 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.870 -4.583 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.390 -5.486 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.581 -5.413 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.256 -5.554 -2.192 1.00 0.00 H new ATOM 614 N LEU A 42 -0.709 -1.619 0.031 1.00 0.00 N ATOM 615 CA LEU A 42 -0.777 -0.567 1.030 1.00 0.00 C ATOM 616 C LEU A 42 -1.254 -1.158 2.358 1.00 0.00 C ATOM 617 O LEU A 42 -1.442 -2.369 2.470 1.00 0.00 O ATOM 618 CB LEU A 42 -1.640 0.593 0.529 1.00 0.00 C ATOM 619 CG LEU A 42 -1.619 0.839 -0.982 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.880 0.282 -1.646 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.416 2.324 -1.293 1.00 0.00 C ATOM 0 H LEU A 42 -1.373 -1.522 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 42 0.213 -0.146 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.671 0.411 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.315 1.505 1.030 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.769 0.302 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.840 0.470 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.941 -0.792 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.759 0.770 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.405 2.471 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.231 2.902 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.468 2.658 -0.872 1.00 0.00 H new ATOM 633 N GLY A 43 -1.437 -0.278 3.330 1.00 0.00 N ATOM 634 CA GLY A 43 -1.890 -0.698 4.647 1.00 0.00 C ATOM 635 C GLY A 43 -1.498 0.326 5.713 1.00 0.00 C ATOM 636 O GLY A 43 -1.427 1.523 5.435 1.00 0.00 O ATOM 0 H GLY A 43 -1.280 0.725 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.973 -0.825 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.457 -1.668 4.892 1.00 0.00 H new ATOM 640 N CYS A 44 -1.255 -0.181 6.913 1.00 0.00 N ATOM 641 CA CYS A 44 -0.873 0.675 8.024 1.00 0.00 C ATOM 642 C CYS A 44 0.597 0.405 8.354 1.00 0.00 C ATOM 643 O CYS A 44 1.111 -0.676 8.073 1.00 0.00 O ATOM 644 CB CYS A 44 -1.779 0.463 9.239 1.00 0.00 C ATOM 645 SG CYS A 44 -3.527 0.371 8.707 1.00 0.00 S ATOM 0 H CYS A 44 -1.315 -1.174 7.140 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.995 1.720 7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.499 -0.455 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.648 1.281 9.948 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.946 1.559 8.386 1.00 0.00 H new ATOM 651 N ALA A 45 1.230 1.407 8.945 1.00 0.00 N ATOM 652 CA ALA A 45 2.629 1.292 9.317 1.00 0.00 C ATOM 653 C ALA A 45 3.025 2.493 10.178 1.00 0.00 C ATOM 654 O ALA A 45 2.560 3.608 9.946 1.00 0.00 O ATOM 655 CB ALA A 45 3.486 1.174 8.054 1.00 0.00 C ATOM 0 H ALA A 45 0.800 2.303 9.175 1.00 0.00 H new ATOM 0 HA ALA A 45 2.794 0.392 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.536 1.088 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.186 0.289 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.347 2.061 7.436 1.00 0.00 H new ATOM 661 N ALA A 46 3.879 2.225 11.156 1.00 0.00 N ATOM 662 CA ALA A 46 4.341 3.269 12.054 1.00 0.00 C ATOM 663 C ALA A 46 4.857 4.452 11.231 1.00 0.00 C ATOM 664 O ALA A 46 4.522 5.602 11.513 1.00 0.00 O ATOM 665 CB ALA A 46 5.409 2.701 12.991 1.00 0.00 C ATOM 0 H ALA A 46 4.263 1.299 11.346 1.00 0.00 H new ATOM 0 HA ALA A 46 3.522 3.631 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.756 3.484 13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.984 1.883 13.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.249 2.330 12.403 1.00 0.00 H new ATOM 671 N THR A 47 5.663 4.129 10.230 1.00 0.00 N ATOM 672 CA THR A 47 6.228 5.150 9.365 1.00 0.00 C ATOM 673 C THR A 47 6.686 4.533 8.042 1.00 0.00 C ATOM 674 O THR A 47 6.873 3.322 7.949 1.00 0.00 O ATOM 675 CB THR A 47 7.352 5.850 10.131 1.00 0.00 C ATOM 676 OG1 THR A 47 8.212 4.786 10.532 1.00 0.00 O ATOM 677 CG2 THR A 47 6.873 6.458 11.449 1.00 0.00 C ATOM 0 H THR A 47 5.938 3.174 9.999 1.00 0.00 H new ATOM 0 HA THR A 47 5.483 5.899 9.098 1.00 0.00 H new ATOM 0 HB THR A 47 7.784 6.632 9.507 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.971 5.150 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.710 6.942 11.952 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.095 7.195 11.248 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.472 5.671 12.088 1.00 0.00 H new ATOM 685 N CYS A 48 6.853 5.396 7.050 1.00 0.00 N ATOM 686 CA CYS A 48 7.285 4.952 5.736 1.00 0.00 C ATOM 687 C CYS A 48 8.316 3.836 5.921 1.00 0.00 C ATOM 688 O CYS A 48 9.487 4.105 6.179 1.00 0.00 O ATOM 689 CB CYS A 48 7.840 6.108 4.902 1.00 0.00 C ATOM 690 SG CYS A 48 6.586 6.670 3.695 1.00 0.00 S ATOM 0 H CYS A 48 6.697 6.401 7.130 1.00 0.00 H new ATOM 0 HA CYS A 48 6.430 4.568 5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.124 6.934 5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.742 5.790 4.380 1.00 0.00 H new ATOM 0 HG CYS A 48 5.428 6.169 4.008 1.00 0.00 H new ATOM 696 N PRO A 49 7.827 2.574 5.777 1.00 0.00 N ATOM 697 CA PRO A 49 8.692 1.417 5.925 1.00 0.00 C ATOM 698 C PRO A 49 9.593 1.245 4.700 1.00 0.00 C ATOM 699 O PRO A 49 10.390 0.310 4.638 1.00 0.00 O ATOM 700 CB PRO A 49 7.747 0.245 6.137 1.00 0.00 C ATOM 701 CG PRO A 49 6.389 0.710 5.638 1.00 0.00 C ATOM 702 CD PRO A 49 6.446 2.219 5.470 1.00 0.00 C ATOM 0 HA PRO A 49 9.382 1.512 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.085 -0.634 5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.702 -0.035 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.145 0.229 4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.607 0.434 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.177 2.515 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.750 2.719 6.143 1.00 0.00 H new ATOM 710 N SER A 50 9.438 2.163 3.758 1.00 0.00 N ATOM 711 CA SER A 50 10.227 2.124 2.538 1.00 0.00 C ATOM 712 C SER A 50 11.560 1.423 2.801 1.00 0.00 C ATOM 713 O SER A 50 12.170 1.611 3.852 1.00 0.00 O ATOM 714 CB SER A 50 10.467 3.534 1.994 1.00 0.00 C ATOM 715 OG SER A 50 10.049 3.660 0.636 1.00 0.00 O ATOM 0 H SER A 50 8.778 2.939 3.814 1.00 0.00 H new ATOM 0 HA SER A 50 9.671 1.563 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.929 4.256 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.527 3.777 2.071 1.00 0.00 H new ATOM 0 HG SER A 50 9.127 3.990 0.607 1.00 0.00 H new ATOM 721 N LYS A 51 11.976 0.627 1.825 1.00 0.00 N ATOM 722 CA LYS A 51 13.227 -0.105 1.938 1.00 0.00 C ATOM 723 C LYS A 51 14.340 0.688 1.251 1.00 0.00 C ATOM 724 O LYS A 51 14.703 1.773 1.704 1.00 0.00 O ATOM 725 CB LYS A 51 13.064 -1.528 1.400 1.00 0.00 C ATOM 726 CG LYS A 51 12.558 -2.473 2.492 1.00 0.00 C ATOM 727 CD LYS A 51 13.720 -3.051 3.301 1.00 0.00 C ATOM 728 CE LYS A 51 14.350 -1.983 4.197 1.00 0.00 C ATOM 729 NZ LYS A 51 13.334 -1.397 5.098 1.00 0.00 N ATOM 0 H LYS A 51 11.469 0.473 0.953 1.00 0.00 H new ATOM 0 HA LYS A 51 13.512 -0.214 2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.365 -1.526 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.019 -1.887 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.880 -1.937 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.987 -3.284 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.365 -3.880 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.474 -3.454 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.156 -2.422 4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.794 -1.200 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.805 -0.815 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.682 -0.804 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.800 -2.160 5.562 1.00 0.00 H new ATOM 743 N LYS A 52 14.849 0.118 0.170 1.00 0.00 N ATOM 744 CA LYS A 52 15.914 0.757 -0.583 1.00 0.00 C ATOM 745 C LYS A 52 15.905 0.232 -2.020 1.00 0.00 C ATOM 746 O LYS A 52 15.870 1.014 -2.969 1.00 0.00 O ATOM 747 CB LYS A 52 17.257 0.576 0.128 1.00 0.00 C ATOM 748 CG LYS A 52 17.193 1.100 1.565 1.00 0.00 C ATOM 749 CD LYS A 52 16.948 -0.041 2.555 1.00 0.00 C ATOM 750 CE LYS A 52 16.870 0.487 3.989 1.00 0.00 C ATOM 751 NZ LYS A 52 17.504 -0.468 4.926 1.00 0.00 N ATOM 0 H LYS A 52 14.543 -0.781 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 52 15.749 1.833 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.530 -0.479 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.037 1.104 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.126 1.607 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.396 1.838 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.021 -0.555 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.750 -0.774 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.367 1.455 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.828 0.644 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.369 -0.138 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.068 -1.405 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.521 -0.533 4.720 1.00 0.00 H new ATOM 765 N PRO A 53 15.935 -1.122 -2.138 1.00 0.00 N ATOM 766 CA PRO A 53 15.928 -1.759 -3.443 1.00 0.00 C ATOM 767 C PRO A 53 14.536 -1.701 -4.076 1.00 0.00 C ATOM 768 O PRO A 53 14.100 -0.645 -4.528 1.00 0.00 O ATOM 769 CB PRO A 53 16.406 -3.181 -3.189 1.00 0.00 C ATOM 770 CG PRO A 53 16.217 -3.424 -1.700 1.00 0.00 C ATOM 771 CD PRO A 53 15.975 -2.078 -1.036 1.00 0.00 C ATOM 0 HA PRO A 53 16.577 -1.256 -4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.832 -3.897 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.451 -3.299 -3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.374 -4.093 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.098 -3.906 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.040 -2.075 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.770 -1.836 -0.331 1.00 0.00 H new ATOM 779 N TYR A 54 13.877 -2.851 -4.087 1.00 0.00 N ATOM 780 CA TYR A 54 12.544 -2.944 -4.657 1.00 0.00 C ATOM 781 C TYR A 54 11.484 -2.503 -3.644 1.00 0.00 C ATOM 782 O TYR A 54 10.652 -1.649 -3.946 1.00 0.00 O ATOM 783 CB TYR A 54 12.330 -4.422 -4.990 1.00 0.00 C ATOM 784 CG TYR A 54 12.940 -5.385 -3.970 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.300 -5.623 -3.972 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.131 -6.016 -3.047 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.875 -6.529 -3.011 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.706 -6.922 -2.087 1.00 0.00 C ATOM 789 CZ TYR A 54 14.048 -7.134 -2.116 1.00 0.00 C ATOM 790 OH TYR A 54 14.591 -7.990 -1.210 1.00 0.00 O ATOM 0 H TYR A 54 14.242 -3.726 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 54 12.455 -2.301 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.260 -4.616 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.759 -4.629 -5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.933 -5.130 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.067 -5.830 -3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.937 -6.723 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.084 -7.422 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 54 13.884 -8.348 -0.633 1.00 0.00 H new ATOM 800 N GLU A 55 11.548 -3.107 -2.467 1.00 0.00 N ATOM 801 CA GLU A 55 10.604 -2.787 -1.410 1.00 0.00 C ATOM 802 C GLU A 55 10.299 -1.289 -1.406 1.00 0.00 C ATOM 803 O GLU A 55 10.742 -0.564 -0.517 1.00 0.00 O ATOM 804 CB GLU A 55 11.131 -3.244 -0.047 1.00 0.00 C ATOM 805 CG GLU A 55 10.741 -4.696 0.233 1.00 0.00 C ATOM 806 CD GLU A 55 10.990 -5.056 1.699 1.00 0.00 C ATOM 807 OE1 GLU A 55 12.058 -5.586 2.035 1.00 0.00 O ATOM 808 OE2 GLU A 55 10.022 -4.765 2.503 1.00 0.00 O ATOM 0 H GLU A 55 12.239 -3.816 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 55 9.676 -3.326 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.216 -3.144 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.732 -2.599 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.689 -4.847 -0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.315 -5.362 -0.412 1.00 0.00 H new ATOM 816 N GLU A 56 9.545 -0.868 -2.411 1.00 0.00 N ATOM 817 CA GLU A 56 9.174 0.532 -2.535 1.00 0.00 C ATOM 818 C GLU A 56 7.899 0.816 -1.739 1.00 0.00 C ATOM 819 O GLU A 56 6.796 0.727 -2.275 1.00 0.00 O ATOM 820 CB GLU A 56 9.004 0.925 -4.003 1.00 0.00 C ATOM 821 CG GLU A 56 9.909 2.106 -4.363 1.00 0.00 C ATOM 822 CD GLU A 56 9.215 3.049 -5.347 1.00 0.00 C ATOM 823 OE1 GLU A 56 9.288 2.835 -6.566 1.00 0.00 O ATOM 824 OE2 GLU A 56 8.582 4.033 -4.805 1.00 0.00 O ATOM 0 H GLU A 56 9.181 -1.472 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 56 9.979 1.140 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.240 0.073 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.964 1.188 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.177 2.652 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.837 1.737 -4.800 1.00 0.00 H new ATOM 832 N VAL A 57 8.094 1.153 -0.472 1.00 0.00 N ATOM 833 CA VAL A 57 6.973 1.451 0.403 1.00 0.00 C ATOM 834 C VAL A 57 6.783 2.967 0.485 1.00 0.00 C ATOM 835 O VAL A 57 7.712 3.727 0.211 1.00 0.00 O ATOM 836 CB VAL A 57 7.190 0.802 1.771 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.866 0.648 2.522 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.901 -0.547 1.632 1.00 0.00 C ATOM 0 H VAL A 57 9.011 1.226 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 57 6.052 1.029 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 57 7.832 1.461 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.049 0.184 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.415 1.629 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.189 0.021 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.043 -0.987 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.296 -1.216 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.871 -0.400 1.158 1.00 0.00 H new ATOM 848 N THR A 58 5.576 3.362 0.862 1.00 0.00 N ATOM 849 CA THR A 58 5.254 4.774 0.982 1.00 0.00 C ATOM 850 C THR A 58 4.559 5.049 2.318 1.00 0.00 C ATOM 851 O THR A 58 4.732 4.302 3.278 1.00 0.00 O ATOM 852 CB THR A 58 4.415 5.171 -0.233 1.00 0.00 C ATOM 853 OG1 THR A 58 4.912 4.348 -1.284 1.00 0.00 O ATOM 854 CG2 THR A 58 4.709 6.596 -0.705 1.00 0.00 C ATOM 0 H THR A 58 4.809 2.729 1.088 1.00 0.00 H new ATOM 0 HA THR A 58 6.155 5.388 0.987 1.00 0.00 H new ATOM 0 HB THR A 58 3.357 5.080 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.611 3.426 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.087 6.828 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.489 7.298 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.760 6.678 -0.981 1.00 0.00 H new ATOM 862 N CYS A 59 3.786 6.126 2.334 1.00 0.00 N ATOM 863 CA CYS A 59 3.066 6.510 3.536 1.00 0.00 C ATOM 864 C CYS A 59 1.678 7.007 3.125 1.00 0.00 C ATOM 865 O CYS A 59 1.370 7.085 1.936 1.00 0.00 O ATOM 866 CB CYS A 59 3.831 7.559 4.343 1.00 0.00 C ATOM 867 SG CYS A 59 4.737 6.756 5.716 1.00 0.00 S ATOM 0 H CYS A 59 3.643 6.743 1.535 1.00 0.00 H new ATOM 0 HA CYS A 59 2.963 5.646 4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.530 8.089 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.138 8.301 4.739 1.00 0.00 H new ATOM 0 HG CYS A 59 5.994 7.082 5.656 1.00 0.00 H new ATOM 873 N CYS A 60 0.877 7.329 4.130 1.00 0.00 N ATOM 874 CA CYS A 60 -0.470 7.815 3.888 1.00 0.00 C ATOM 875 C CYS A 60 -1.155 8.025 5.241 1.00 0.00 C ATOM 876 O CYS A 60 -1.434 7.063 5.955 1.00 0.00 O ATOM 877 CB CYS A 60 -1.261 6.864 2.989 1.00 0.00 C ATOM 878 SG CYS A 60 -2.934 6.594 3.681 1.00 0.00 S ATOM 0 H CYS A 60 1.136 7.263 5.114 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.427 8.764 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.337 7.279 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.737 5.912 2.902 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.857 6.492 4.975 1.00 0.00 H new ATOM 884 N SER A 61 -1.407 9.288 5.551 1.00 0.00 N ATOM 885 CA SER A 61 -2.054 9.636 6.803 1.00 0.00 C ATOM 886 C SER A 61 -3.488 10.099 6.542 1.00 0.00 C ATOM 887 O SER A 61 -4.388 9.827 7.336 1.00 0.00 O ATOM 888 CB SER A 61 -1.273 10.723 7.544 1.00 0.00 C ATOM 889 OG SER A 61 -1.614 12.030 7.090 1.00 0.00 O ATOM 0 H SER A 61 -1.174 10.083 4.956 1.00 0.00 H new ATOM 0 HA SER A 61 -2.075 8.747 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.472 10.647 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.204 10.559 7.406 1.00 0.00 H new ATOM 0 HG SER A 61 -1.095 12.695 7.589 1.00 0.00 H new ATOM 895 N THR A 62 -3.658 10.791 5.425 1.00 0.00 N ATOM 896 CA THR A 62 -4.968 11.295 5.048 1.00 0.00 C ATOM 897 C THR A 62 -6.020 10.192 5.173 1.00 0.00 C ATOM 898 O THR A 62 -5.684 9.009 5.204 1.00 0.00 O ATOM 899 CB THR A 62 -4.863 11.878 3.637 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.510 11.632 3.260 1.00 0.00 O ATOM 901 CG2 THR A 62 -4.984 13.403 3.622 1.00 0.00 C ATOM 0 H THR A 62 -2.910 11.015 4.769 1.00 0.00 H new ATOM 0 HA THR A 62 -5.294 12.089 5.720 1.00 0.00 H new ATOM 0 HB THR A 62 -5.642 11.447 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.299 10.685 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.903 13.764 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.950 13.695 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.186 13.837 4.224 1.00 0.00 H new ATOM 909 N ASP A 63 -7.272 10.618 5.244 1.00 0.00 N ATOM 910 CA ASP A 63 -8.376 9.681 5.366 1.00 0.00 C ATOM 911 C ASP A 63 -8.483 8.856 4.082 1.00 0.00 C ATOM 912 O ASP A 63 -8.965 9.348 3.062 1.00 0.00 O ATOM 913 CB ASP A 63 -9.703 10.415 5.569 1.00 0.00 C ATOM 914 CG ASP A 63 -10.117 10.614 7.028 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.975 9.706 7.861 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.610 11.773 7.302 1.00 0.00 O ATOM 0 H ASP A 63 -7.547 11.600 5.219 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.182 9.043 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.637 11.392 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.489 9.861 5.057 1.00 0.00 H new ATOM 922 N LYS A 64 -8.027 7.615 4.174 1.00 0.00 N ATOM 923 CA LYS A 64 -8.065 6.718 3.032 1.00 0.00 C ATOM 924 C LYS A 64 -7.159 7.265 1.927 1.00 0.00 C ATOM 925 O LYS A 64 -7.586 7.408 0.782 1.00 0.00 O ATOM 926 CB LYS A 64 -9.509 6.483 2.582 1.00 0.00 C ATOM 927 CG LYS A 64 -10.334 5.843 3.701 1.00 0.00 C ATOM 928 CD LYS A 64 -11.816 5.784 3.324 1.00 0.00 C ATOM 929 CE LYS A 64 -12.566 4.784 4.206 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.910 5.302 4.548 1.00 0.00 N ATOM 0 H LYS A 64 -7.630 7.210 5.022 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.677 5.737 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.961 7.430 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.520 5.838 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.965 4.837 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.211 6.415 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.262 6.773 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.918 5.499 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.659 3.830 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.999 4.597 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.406 4.612 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.815 6.201 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.454 5.458 3.676 1.00 0.00 H new ATOM 944 N CYS A 65 -5.924 7.558 2.309 1.00 0.00 N ATOM 945 CA CYS A 65 -4.954 8.087 1.366 1.00 0.00 C ATOM 946 C CYS A 65 -4.058 6.937 0.903 1.00 0.00 C ATOM 947 O CYS A 65 -2.908 7.155 0.527 1.00 0.00 O ATOM 948 CB CYS A 65 -4.143 9.235 1.973 1.00 0.00 C ATOM 949 SG CYS A 65 -3.722 8.852 3.710 1.00 0.00 S ATOM 0 H CYS A 65 -5.573 7.439 3.259 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.472 8.511 0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.232 9.393 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.716 10.161 1.925 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.959 7.596 3.947 1.00 0.00 H new ATOM 955 N ASN A 66 -4.619 5.737 0.947 1.00 0.00 N ATOM 956 CA ASN A 66 -3.883 4.553 0.538 1.00 0.00 C ATOM 957 C ASN A 66 -4.455 4.036 -0.785 1.00 0.00 C ATOM 958 O ASN A 66 -4.124 2.935 -1.221 1.00 0.00 O ATOM 959 CB ASN A 66 -4.014 3.437 1.576 1.00 0.00 C ATOM 960 CG ASN A 66 -2.650 3.082 2.173 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.409 1.973 2.619 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.775 4.083 2.154 1.00 0.00 N ATOM 0 H ASN A 66 -5.574 5.560 1.259 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.833 4.827 0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.692 3.751 2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.453 2.554 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.836 3.947 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.043 4.987 1.765 1.00 0.00 H new ATOM 969 N PRO A 67 -5.327 4.877 -1.403 1.00 0.00 N ATOM 970 CA PRO A 67 -5.947 4.518 -2.667 1.00 0.00 C ATOM 971 C PRO A 67 -4.952 4.644 -3.822 1.00 0.00 C ATOM 972 O PRO A 67 -5.087 5.526 -4.668 1.00 0.00 O ATOM 973 CB PRO A 67 -7.137 5.453 -2.803 1.00 0.00 C ATOM 974 CG PRO A 67 -6.871 6.605 -1.846 1.00 0.00 C ATOM 975 CD PRO A 67 -5.743 6.190 -0.916 1.00 0.00 C ATOM 0 HA PRO A 67 -6.271 3.478 -2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.238 5.811 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.066 4.942 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.599 7.504 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.769 6.841 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.920 6.904 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.081 6.140 0.119 1.00 0.00 H new ATOM 983 N HIS A 68 -3.973 3.750 -3.820 1.00 0.00 N ATOM 984 CA HIS A 68 -2.957 3.751 -4.855 1.00 0.00 C ATOM 985 C HIS A 68 -3.594 4.105 -6.201 1.00 0.00 C ATOM 986 O HIS A 68 -4.797 3.932 -6.387 1.00 0.00 O ATOM 987 CB HIS A 68 -2.210 2.415 -4.887 1.00 0.00 C ATOM 988 CG HIS A 68 -3.116 1.209 -4.937 1.00 0.00 C ATOM 989 ND1 HIS A 68 -3.020 0.239 -5.922 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.134 0.822 -4.115 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.943 -0.682 -5.693 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.633 -0.318 -4.574 1.00 0.00 N ATOM 0 H HIS A 68 -3.864 3.020 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.210 4.513 -4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.552 2.399 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.575 2.344 -4.004 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.352 0.235 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.476 1.354 -3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.119 -1.566 -6.288 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.737 4.609 -7.129 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.204 4.989 -8.451 1.00 0.00 C ATOM 1003 C PRO A 69 -3.469 3.754 -9.315 1.00 0.00 C ATOM 1004 O PRO A 69 -2.535 3.133 -9.821 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.110 5.883 -9.013 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.870 5.596 -8.181 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.305 4.827 -6.945 1.00 0.00 C ATOM 0 HA PRO A 69 -4.157 5.517 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.932 5.668 -10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.391 6.934 -8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.150 5.016 -8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.377 6.526 -7.898 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.769 3.882 -6.857 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.104 5.393 -6.035 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.747 3.435 -9.458 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.147 2.287 -10.252 1.00 0.00 C ATOM 1017 C LYS A 70 -6.620 2.428 -10.641 1.00 0.00 C ATOM 1018 O LYS A 70 -7.002 2.104 -11.764 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.830 0.986 -9.510 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.953 1.254 -8.284 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.676 2.151 -7.278 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.163 1.794 -7.197 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.914 2.866 -6.506 1.00 0.00 N ATOM 0 H LYS A 70 -5.519 3.952 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.574 2.248 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.757 0.505 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.321 0.295 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.687 0.310 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.022 1.727 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.218 2.044 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.564 3.195 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.564 1.649 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.289 0.851 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.760 3.109 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.200 2.536 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.310 3.707 -6.410 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.406 2.912 -9.690 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.829 3.099 -9.919 1.00 0.00 C ATOM 1039 C GLN A 71 -9.056 4.026 -11.116 1.00 0.00 C ATOM 1040 O GLN A 71 -9.404 5.193 -10.943 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.518 3.642 -8.666 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.836 2.514 -7.683 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.266 3.074 -6.326 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.232 3.812 -6.208 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.500 2.684 -5.312 1.00 0.00 N ATOM 0 H GLN A 71 -7.085 3.180 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.272 2.129 -10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.876 4.379 -8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.438 4.155 -8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.629 1.886 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.959 1.879 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.707 2.065 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.706 3.003 -4.365 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.847 3.472 -12.301 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.026 4.233 -13.526 1.00 0.00 C ATOM 1056 C ARG A 72 -9.159 3.291 -14.724 1.00 0.00 C ATOM 1057 O ARG A 72 -8.461 2.282 -14.804 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.847 5.180 -13.759 1.00 0.00 C ATOM 1059 CG ARG A 72 -8.024 5.965 -15.062 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.705 6.606 -15.499 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.973 7.751 -16.399 1.00 0.00 N ATOM 1062 CZ ARG A 72 -7.543 8.909 -16.002 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -7.908 9.087 -14.715 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -7.734 9.865 -16.892 1.00 0.00 N ATOM 0 H ARG A 72 -8.555 2.504 -12.439 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.938 4.821 -13.422 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.761 5.873 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.919 4.609 -13.797 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.386 5.299 -15.845 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.780 6.738 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.147 6.942 -14.625 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.084 5.869 -16.009 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.711 7.659 -17.380 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.754 8.344 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.338 9.965 -14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.452 9.722 -17.862 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.163 10.746 -16.610 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.085 3.664 -15.646 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.319 2.863 -16.836 1.00 0.00 C ATOM 1080 C PRO A 73 -9.187 3.041 -17.849 1.00 0.00 C ATOM 1081 O PRO A 73 -9.095 4.076 -18.508 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.668 3.329 -17.364 1.00 0.00 C ATOM 1083 CG PRO A 73 -11.919 4.684 -16.725 1.00 0.00 C ATOM 1084 CD PRO A 73 -10.930 4.852 -15.583 1.00 0.00 C ATOM 0 HA PRO A 73 -10.335 1.793 -16.627 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.657 3.406 -18.451 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.455 2.622 -17.103 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.794 5.481 -17.458 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.943 4.748 -16.356 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.342 5.763 -15.699 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.442 4.923 -14.623 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.353 2.016 -17.943 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.230 2.046 -18.864 1.00 0.00 C ATOM 1094 C GLY A 74 -6.530 0.686 -18.920 1.00 0.00 C ATOM 1095 O GLY A 74 -5.594 0.498 -19.694 1.00 0.00 O ATOM 0 H GLY A 74 -8.433 1.159 -17.396 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.579 2.321 -19.859 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.520 2.812 -18.552 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.275 -10.389 -10.703 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.615 -10.027 -9.336 1.00 0.00 C ATOM 1102 C HIS B 1 -6.355 -9.573 -8.598 1.00 0.00 C ATOM 1103 O HIS B 1 -5.674 -10.381 -7.968 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.332 -11.181 -8.631 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.331 -11.076 -7.125 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -8.592 -12.156 -6.299 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.102 -10.010 -6.307 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.519 -11.746 -5.041 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -8.215 -10.416 -5.048 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.100 -10.824 -11.162 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.995 -9.536 -11.229 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.486 -11.066 -10.697 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.314 -9.190 -9.340 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.363 -11.223 -8.981 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.859 -12.120 -8.920 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -7.868 -9.006 -6.628 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -8.673 -12.357 -4.164 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -8.094 -9.830 -4.222 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.082 -8.281 -8.699 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.915 -7.709 -8.049 1.00 0.00 C ATOM 1120 C ARG B 2 -5.098 -6.202 -7.860 1.00 0.00 C ATOM 1121 O ARG B 2 -6.054 -5.619 -8.372 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.648 -7.962 -8.868 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.805 -9.075 -8.242 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.544 -8.506 -7.588 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.058 -9.428 -6.538 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.770 -9.773 -5.445 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.008 -9.275 -5.249 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.236 -10.606 -4.570 1.00 0.00 N ATOM 0 H ARG B 2 -6.649 -7.613 -9.221 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.808 -8.191 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.918 -8.235 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.061 -7.046 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.396 -9.609 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.527 -9.800 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.769 -8.358 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.758 -7.529 -7.155 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.126 -9.828 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.413 -8.632 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.539 -9.541 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.299 -10.978 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.760 -10.877 -3.738 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.169 -5.613 -7.122 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.215 -4.185 -6.860 1.00 0.00 C ATOM 1144 C TYR B 3 -2.987 -3.479 -7.437 1.00 0.00 C ATOM 1145 O TYR B 3 -2.422 -2.589 -6.803 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.205 -4.036 -5.336 1.00 0.00 C ATOM 1147 CG TYR B 3 -3.688 -5.269 -4.594 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -4.541 -6.318 -4.319 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -2.367 -5.334 -4.200 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -4.055 -7.480 -3.621 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -1.879 -6.495 -3.501 1.00 0.00 C ATOM 1152 CZ TYR B 3 -2.749 -7.511 -3.245 1.00 0.00 C ATOM 1153 OH TYR B 3 -2.288 -8.608 -2.586 1.00 0.00 O ATOM 0 H TYR B 3 -3.379 -6.099 -6.697 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.098 -3.740 -7.319 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.587 -3.178 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.217 -3.818 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.575 -6.268 -4.628 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -1.699 -4.514 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.713 -8.308 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -0.848 -6.558 -3.187 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.787 -8.722 -1.751 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.607 -3.905 -8.633 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.455 -3.326 -9.302 1.00 0.00 C ATOM 1165 C TYR B 4 -1.567 -1.801 -9.367 1.00 0.00 C ATOM 1166 O TYR B 4 -2.505 -1.220 -8.820 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.468 -3.886 -10.726 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.485 -5.037 -10.949 1.00 0.00 C ATOM 1169 CD1 TYR B 4 0.805 -4.772 -11.362 1.00 0.00 C ATOM 1170 CD2 TYR B 4 -0.888 -6.340 -10.739 1.00 0.00 C ATOM 1171 CE1 TYR B 4 1.730 -5.855 -11.573 1.00 0.00 C ATOM 1172 CE2 TYR B 4 0.036 -7.424 -10.950 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.300 -7.127 -11.358 1.00 0.00 C ATOM 1174 OH TYR B 4 2.174 -8.151 -11.556 1.00 0.00 O ATOM 0 H TYR B 4 -3.077 -4.644 -9.156 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.538 -3.569 -8.765 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.475 -4.231 -10.961 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.235 -3.082 -11.424 1.00 0.00 H new ATOM 0 HD1 TYR B 4 1.121 -3.752 -11.527 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -1.898 -6.547 -10.416 1.00 0.00 H new ATOM 0 HE1 TYR B 4 2.743 -5.661 -11.895 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -0.267 -8.448 -10.788 1.00 0.00 H new ATOM 0 HH TYR B 4 2.913 -8.079 -10.916 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.599 -1.196 -10.039 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.579 0.250 -10.182 1.00 0.00 C ATOM 1186 C GLU B 5 -1.131 0.657 -11.550 1.00 0.00 C ATOM 1187 O GLU B 5 -0.672 1.630 -12.144 1.00 0.00 O ATOM 1188 CB GLU B 5 0.835 0.800 -9.977 1.00 0.00 C ATOM 1189 CG GLU B 5 1.715 0.519 -11.197 1.00 0.00 C ATOM 1190 CD GLU B 5 2.945 1.430 -11.206 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.954 2.467 -10.527 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.916 1.026 -11.953 1.00 0.00 O ATOM 0 H GLU B 5 0.177 -1.680 -10.490 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.218 0.681 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.789 1.874 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.280 0.347 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.031 -0.524 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.138 0.671 -12.109 1.00 0.00 H new ATOM 1200 N SER B 6 -2.110 -0.110 -12.007 1.00 0.00 N ATOM 1201 CA SER B 6 -2.730 0.159 -13.294 1.00 0.00 C ATOM 1202 C SER B 6 -4.224 -0.169 -13.232 1.00 0.00 C ATOM 1203 O SER B 6 -4.930 -0.050 -14.232 1.00 0.00 O ATOM 1204 CB SER B 6 -2.056 -0.644 -14.409 1.00 0.00 C ATOM 1205 OG SER B 6 -2.789 -0.582 -15.630 1.00 0.00 O ATOM 0 H SER B 6 -2.489 -0.916 -11.510 1.00 0.00 H new ATOM 0 HA SER B 6 -2.605 1.218 -13.520 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.048 -0.263 -14.572 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.957 -1.684 -14.098 1.00 0.00 H new ATOM 0 HG SER B 6 -3.705 -0.286 -15.447 1.00 0.00 H new ATOM 1211 N SER B 7 -4.660 -0.575 -12.049 1.00 0.00 N ATOM 1212 CA SER B 7 -6.057 -0.921 -11.844 1.00 0.00 C ATOM 1213 C SER B 7 -6.287 -1.330 -10.389 1.00 0.00 C ATOM 1214 O SER B 7 -5.333 -1.578 -9.652 1.00 0.00 O ATOM 1215 CB SER B 7 -6.489 -2.046 -12.787 1.00 0.00 C ATOM 1216 OG SER B 7 -7.777 -2.556 -12.453 1.00 0.00 O ATOM 0 H SER B 7 -4.071 -0.672 -11.222 1.00 0.00 H new ATOM 0 HA SER B 7 -6.663 -0.043 -12.067 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.500 -1.676 -13.812 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.758 -2.853 -12.748 1.00 0.00 H new ATOM 0 HG SER B 7 -8.431 -1.826 -12.464 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.558 -1.387 -10.017 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.924 -1.762 -8.662 1.00 0.00 C ATOM 1224 C LEU B 8 -8.928 -2.916 -8.710 1.00 0.00 C ATOM 1225 O LEU B 8 -9.003 -3.716 -7.780 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.428 -0.542 -7.887 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.657 -0.747 -6.388 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -10.128 -1.053 -6.097 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.726 -1.828 -5.834 1.00 0.00 C ATOM 0 H LEU B 8 -8.346 -1.180 -10.630 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.051 -2.120 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.711 0.268 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.365 -0.213 -8.336 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.412 0.182 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.265 -1.195 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.746 -0.222 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.422 -1.961 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.909 -1.954 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.916 -2.770 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.689 -1.531 -5.992 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.671 -2.965 -9.806 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.667 -4.009 -9.988 1.00 0.00 C ATOM 1243 C GLU B 9 -9.993 -5.319 -10.400 1.00 0.00 C ATOM 1244 O GLU B 9 -9.003 -5.311 -11.131 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.721 -3.588 -11.014 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.237 -2.176 -10.722 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.715 -2.204 -10.329 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.590 -2.066 -11.196 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.941 -2.376 -9.070 1.00 0.00 O ATOM 0 H GLU B 9 -9.604 -2.300 -10.576 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.176 -4.168 -9.038 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.293 -3.623 -12.016 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.552 -4.293 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.651 -1.730 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.103 -1.546 -11.602 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.571 -6.445 -9.900 1.00 0.00 N ATOM 1258 CA PRO B 10 -10.037 -7.760 -10.208 1.00 0.00 C ATOM 1259 C PRO B 10 -10.388 -8.173 -11.638 1.00 0.00 C ATOM 1260 O PRO B 10 -10.523 -9.360 -11.930 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.635 -8.684 -9.159 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.837 -7.945 -8.591 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.743 -6.494 -9.032 1.00 0.00 C ATOM 0 HA PRO B 10 -8.948 -7.790 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.934 -9.635 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.910 -8.909 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.764 -8.393 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.848 -8.013 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.642 -6.183 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.631 -5.827 -8.177 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.530 -7.170 -12.493 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.864 -7.414 -13.885 1.00 0.00 C ATOM 1273 C TRP B 11 -9.853 -6.663 -14.753 1.00 0.00 C ATOM 1274 O TRP B 11 -9.434 -7.162 -15.797 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.313 -7.018 -14.179 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.929 -7.753 -15.371 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.334 -8.113 -16.516 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.295 -8.206 -15.489 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.211 -8.762 -17.360 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.441 -8.820 -16.715 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -15.369 -8.101 -14.589 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.648 -9.377 -17.155 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -16.569 -8.661 -15.043 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -16.734 -9.284 -16.275 1.00 0.00 C ATOM 0 H TRP B 11 -10.420 -6.186 -12.247 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.799 -8.477 -14.116 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.919 -7.211 -13.294 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.355 -5.945 -14.366 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -11.297 -7.919 -16.749 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -12.997 -9.131 -18.286 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -15.276 -7.626 -13.624 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.737 -9.853 -18.121 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -17.427 -8.605 -14.390 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -17.694 -9.694 -16.552 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.488 -5.477 -14.289 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.534 -4.652 -15.010 1.00 0.00 C ATOM 1297 C TYR B 12 -7.113 -4.871 -14.485 1.00 0.00 C ATOM 1298 O TYR B 12 -6.150 -4.824 -15.250 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.944 -3.202 -14.746 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.079 -2.703 -15.642 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.014 -3.594 -16.132 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.169 -1.364 -15.962 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.082 -3.125 -16.977 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.238 -0.895 -16.806 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.140 -1.799 -17.271 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.150 -1.355 -18.069 1.00 0.00 O ATOM 0 H TYR B 12 -9.836 -5.068 -13.422 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.538 -4.900 -16.071 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.248 -3.105 -13.704 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.075 -2.559 -14.885 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.944 -4.642 -15.882 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.438 -0.667 -15.580 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.819 -3.811 -17.368 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.321 0.151 -17.063 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.067 -0.387 -18.194 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.025 -5.111 -13.149 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.740 -5.338 -12.512 1.00 0.00 C ATOM 1318 C PRO B 13 -5.206 -6.736 -12.835 1.00 0.00 C ATOM 1319 O PRO B 13 -4.016 -6.904 -13.100 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.992 -5.125 -11.028 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.495 -5.247 -10.841 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.144 -5.175 -12.213 1.00 0.00 C ATOM 0 HA PRO B 13 -4.967 -4.659 -12.872 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.462 -5.867 -10.431 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.636 -4.146 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.743 -6.188 -10.351 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.866 -4.446 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.769 -6.048 -12.402 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.786 -4.298 -12.302 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.111 -7.702 -12.800 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.748 -9.079 -13.085 1.00 0.00 C ATOM 1332 C ASP B 14 -7.020 -9.913 -13.254 1.00 0.00 C ATOM 1333 O ASP B 14 -8.067 -9.387 -13.624 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.936 -9.682 -11.938 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.986 -11.208 -11.842 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.235 -11.775 -10.767 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.750 -11.832 -12.947 1.00 0.00 O ATOM 0 H ASP B 14 -7.096 -7.558 -12.578 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.149 -9.089 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.896 -9.374 -12.048 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.295 -9.262 -10.999 1.00 0.00 H new