USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.0733 K(o=-0.073,f=-1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -170:sc= 0.0331 USER MOD Single : A 101 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-1.2) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -112:sc= -1.87 USER MOD Single : A 121 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0681) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.4!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 150:sc= -0.18 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -3.38 K(o=-3.4,f=-4.7!) USER MOD Single : A 133 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -66:sc= -0.653 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 56.857 -0.168 16.986 1.00 0.00 N ATOM 2 CA GLY A 54 57.665 -0.836 15.972 1.00 0.00 C ATOM 3 C GLY A 54 59.050 -0.204 15.881 1.00 0.00 C ATOM 4 O GLY A 54 59.234 0.963 16.228 1.00 0.00 O ATOM 0 HA2 GLY A 54 57.759 -1.895 16.214 1.00 0.00 H new ATOM 0 HA3 GLY A 54 57.167 -0.773 15.004 1.00 0.00 H new ATOM 8 N GLY A 55 60.022 -0.980 15.411 1.00 0.00 N ATOM 9 CA GLY A 55 61.383 -0.480 15.279 1.00 0.00 C ATOM 10 C GLY A 55 61.469 0.538 14.152 1.00 0.00 C ATOM 11 O GLY A 55 60.782 0.414 13.141 1.00 0.00 O ATOM 0 H GLY A 55 59.893 -1.948 15.118 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.701 -0.022 16.216 1.00 0.00 H new ATOM 0 HA3 GLY A 55 62.064 -1.308 15.082 1.00 0.00 H new ATOM 15 N ALA A 56 62.317 1.542 14.336 1.00 0.00 N ATOM 16 CA ALA A 56 62.485 2.583 13.331 1.00 0.00 C ATOM 17 C ALA A 56 61.174 3.335 13.117 1.00 0.00 C ATOM 18 O ALA A 56 60.195 2.778 12.623 1.00 0.00 O ATOM 19 CB ALA A 56 62.969 1.978 12.004 1.00 0.00 C ATOM 0 H ALA A 56 62.896 1.657 15.168 1.00 0.00 H new ATOM 0 HA ALA A 56 63.237 3.286 13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.089 2.770 11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.925 1.479 12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.236 1.255 11.645 1.00 0.00 H new ATOM 25 N GLU A 57 61.168 4.612 13.487 1.00 0.00 N ATOM 26 CA GLU A 57 59.978 5.442 13.330 1.00 0.00 C ATOM 27 C GLU A 57 59.964 6.106 11.959 1.00 0.00 C ATOM 28 O GLU A 57 59.434 7.207 11.782 1.00 0.00 O ATOM 29 CB GLU A 57 59.934 6.512 14.408 1.00 0.00 C ATOM 30 CG GLU A 57 59.616 5.866 15.759 1.00 0.00 C ATOM 31 CD GLU A 57 59.729 6.901 16.872 1.00 0.00 C ATOM 32 OE1 GLU A 57 60.234 7.978 16.603 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.306 6.602 17.977 1.00 0.00 O ATOM 0 H GLU A 57 61.969 5.093 13.896 1.00 0.00 H new ATOM 0 HA GLU A 57 59.103 4.799 13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 57 60.891 7.032 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.178 7.258 14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.610 5.446 15.743 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.303 5.041 15.947 1.00 0.00 H new ATOM 40 N ALA A 58 60.546 5.420 10.993 1.00 0.00 N ATOM 41 CA ALA A 58 60.611 5.920 9.635 1.00 0.00 C ATOM 42 C ALA A 58 59.226 6.103 9.042 1.00 0.00 C ATOM 43 O ALA A 58 59.067 6.737 8.005 1.00 0.00 O ATOM 44 CB ALA A 58 61.470 5.007 8.767 1.00 0.00 C ATOM 0 H ALA A 58 60.983 4.508 11.127 1.00 0.00 H new ATOM 0 HA ALA A 58 61.081 6.903 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.506 5.400 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.480 4.962 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.039 4.006 8.754 1.00 0.00 H new ATOM 50 N LEU A 59 58.232 5.558 9.715 1.00 0.00 N ATOM 51 CA LEU A 59 56.853 5.668 9.270 1.00 0.00 C ATOM 52 C LEU A 59 56.494 7.111 8.936 1.00 0.00 C ATOM 53 O LEU A 59 55.565 7.366 8.168 1.00 0.00 O ATOM 54 CB LEU A 59 55.950 5.190 10.390 1.00 0.00 C ATOM 55 CG LEU A 59 56.032 3.672 10.481 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.516 3.231 11.844 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.159 3.036 9.392 1.00 0.00 C ATOM 0 H LEU A 59 58.353 5.030 10.579 1.00 0.00 H new ATOM 0 HA LEU A 59 56.725 5.064 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.252 5.640 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 59 54.922 5.501 10.203 1.00 0.00 H new ATOM 0 HG LEU A 59 57.067 3.357 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.570 2.145 11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.127 3.680 12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.481 3.552 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.222 1.950 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.124 3.349 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.510 3.357 8.411 1.00 0.00 H new ATOM 69 N GLU A 60 57.222 8.053 9.520 1.00 0.00 N ATOM 70 CA GLU A 60 56.952 9.457 9.276 1.00 0.00 C ATOM 71 C GLU A 60 57.083 9.779 7.797 1.00 0.00 C ATOM 72 O GLU A 60 56.261 10.497 7.230 1.00 0.00 O ATOM 73 CB GLU A 60 57.937 10.317 10.069 1.00 0.00 C ATOM 74 CG GLU A 60 57.617 10.225 11.560 1.00 0.00 C ATOM 75 CD GLU A 60 56.332 10.985 11.869 1.00 0.00 C ATOM 76 OE1 GLU A 60 55.280 10.371 11.831 1.00 0.00 O ATOM 77 OE2 GLU A 60 56.421 12.171 12.141 1.00 0.00 O ATOM 0 H GLU A 60 57.996 7.870 10.159 1.00 0.00 H new ATOM 0 HA GLU A 60 55.932 9.673 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 58.958 9.981 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 60 57.878 11.354 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.510 9.181 11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.441 10.637 12.143 1.00 0.00 H new ATOM 84 N LEU A 61 58.121 9.244 7.184 1.00 0.00 N ATOM 85 CA LEU A 61 58.358 9.478 5.763 1.00 0.00 C ATOM 86 C LEU A 61 57.985 8.261 4.913 1.00 0.00 C ATOM 87 O LEU A 61 57.411 8.412 3.838 1.00 0.00 O ATOM 88 CB LEU A 61 59.826 9.819 5.552 1.00 0.00 C ATOM 89 CG LEU A 61 60.183 11.083 6.333 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.676 11.350 6.203 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.400 12.280 5.784 1.00 0.00 C ATOM 0 H LEU A 61 58.812 8.648 7.639 1.00 0.00 H new ATOM 0 HA LEU A 61 57.725 10.307 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.452 8.989 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.025 9.968 4.491 1.00 0.00 H new ATOM 0 HG LEU A 61 59.924 10.941 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 61 61.934 12.251 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.233 10.504 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 61 61.931 11.487 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.662 13.175 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.649 12.427 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.331 12.090 5.880 1.00 0.00 H new ATOM 103 N LEU A 62 58.316 7.065 5.406 1.00 0.00 N ATOM 104 CA LEU A 62 58.028 5.821 4.707 1.00 0.00 C ATOM 105 C LEU A 62 58.216 4.652 5.670 1.00 0.00 C ATOM 106 O LEU A 62 57.269 4.245 6.336 1.00 0.00 O ATOM 107 CB LEU A 62 58.944 5.684 3.482 1.00 0.00 C ATOM 108 CG LEU A 62 58.154 6.016 2.222 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.061 6.739 1.223 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.634 4.719 1.598 1.00 0.00 C ATOM 0 H LEU A 62 58.790 6.937 6.300 1.00 0.00 H new ATOM 0 HA LEU A 62 56.997 5.822 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.799 6.354 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.339 4.670 3.421 1.00 0.00 H new ATOM 0 HG LEU A 62 57.314 6.662 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.494 6.976 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.433 7.661 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.902 6.096 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.068 4.951 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.476 4.075 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.988 4.206 2.310 1.00 0.00 H new ATOM 122 N GLU A 63 59.453 4.148 5.743 1.00 0.00 N ATOM 123 CA GLU A 63 59.827 3.045 6.623 1.00 0.00 C ATOM 124 C GLU A 63 61.183 2.462 6.224 1.00 0.00 C ATOM 125 O GLU A 63 62.199 2.757 6.852 1.00 0.00 O ATOM 126 CB GLU A 63 58.779 1.951 6.585 1.00 0.00 C ATOM 127 CG GLU A 63 58.021 1.939 7.909 1.00 0.00 C ATOM 128 CD GLU A 63 57.568 0.519 8.242 1.00 0.00 C ATOM 129 OE1 GLU A 63 56.931 -0.093 7.401 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.866 0.065 9.335 1.00 0.00 O ATOM 0 H GLU A 63 60.229 4.502 5.184 1.00 0.00 H new ATOM 0 HA GLU A 63 59.896 3.441 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.089 2.120 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.251 0.984 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.659 2.322 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.156 2.600 7.848 1.00 0.00 H new ATOM 137 N HIS A 64 61.190 1.628 5.189 1.00 0.00 N ATOM 138 CA HIS A 64 62.421 1.005 4.729 1.00 0.00 C ATOM 139 C HIS A 64 62.890 1.638 3.428 1.00 0.00 C ATOM 140 O HIS A 64 62.149 2.364 2.769 1.00 0.00 O ATOM 141 CB HIS A 64 62.197 -0.494 4.513 1.00 0.00 C ATOM 142 CG HIS A 64 60.973 -0.707 3.682 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.730 -0.858 4.263 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.774 -0.811 2.327 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.844 -1.045 3.279 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.422 -1.026 2.075 1.00 0.00 N ATOM 0 H HIS A 64 60.359 1.370 4.656 1.00 0.00 H new ATOM 0 HA HIS A 64 63.187 1.156 5.490 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.064 -0.933 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.088 -0.997 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.546 -0.737 1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.786 -1.194 3.439 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.971 -1.144 1.168 1.00 0.00 H new ATOM 154 N CYS A 65 64.131 1.348 3.070 1.00 0.00 N ATOM 155 CA CYS A 65 64.723 1.874 1.851 1.00 0.00 C ATOM 156 C CYS A 65 64.258 1.090 0.627 1.00 0.00 C ATOM 157 O CYS A 65 64.215 -0.126 0.652 1.00 0.00 O ATOM 158 CB CYS A 65 66.235 1.801 1.967 1.00 0.00 C ATOM 159 SG CYS A 65 66.970 2.086 0.341 1.00 0.00 S ATOM 0 H CYS A 65 64.752 0.746 3.611 1.00 0.00 H new ATOM 0 HA CYS A 65 64.405 2.909 1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.594 2.546 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.536 0.826 2.349 1.00 0.00 H new ATOM 164 N GLY A 66 63.901 1.801 -0.433 1.00 0.00 N ATOM 165 CA GLY A 66 63.431 1.163 -1.660 1.00 0.00 C ATOM 166 C GLY A 66 64.523 0.344 -2.362 1.00 0.00 C ATOM 167 O GLY A 66 64.242 -0.700 -2.951 1.00 0.00 O ATOM 0 H GLY A 66 63.927 2.820 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.589 0.512 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 66 63.062 1.928 -2.343 1.00 0.00 H new ATOM 171 N VAL A 67 65.752 0.853 -2.341 1.00 0.00 N ATOM 172 CA VAL A 67 66.868 0.199 -3.025 1.00 0.00 C ATOM 173 C VAL A 67 67.165 -1.206 -2.494 1.00 0.00 C ATOM 174 O VAL A 67 67.460 -2.113 -3.271 1.00 0.00 O ATOM 175 CB VAL A 67 68.118 1.061 -2.872 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.332 0.309 -3.413 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.934 2.370 -3.643 1.00 0.00 C ATOM 0 H VAL A 67 66.002 1.716 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 67 66.582 0.091 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 67 68.277 1.283 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 67 70.222 0.928 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.463 -0.619 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 67 69.178 0.081 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.827 2.985 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.771 2.151 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 67 67.072 2.907 -3.247 1.00 0.00 H new ATOM 187 N CYS A 68 67.115 -1.378 -1.181 1.00 0.00 N ATOM 188 CA CYS A 68 67.408 -2.676 -0.575 1.00 0.00 C ATOM 189 C CYS A 68 66.150 -3.311 0.002 1.00 0.00 C ATOM 190 O CYS A 68 66.102 -4.518 0.240 1.00 0.00 O ATOM 191 CB CYS A 68 68.451 -2.501 0.530 1.00 0.00 C ATOM 192 SG CYS A 68 67.776 -1.443 1.840 1.00 0.00 S ATOM 0 H CYS A 68 66.876 -0.643 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 68 67.797 -3.336 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.728 -3.472 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.358 -2.057 0.121 1.00 0.00 H new ATOM 197 N ARG A 69 65.131 -2.492 0.208 1.00 0.00 N ATOM 198 CA ARG A 69 63.864 -2.966 0.744 1.00 0.00 C ATOM 199 C ARG A 69 64.051 -3.512 2.151 1.00 0.00 C ATOM 200 O ARG A 69 63.450 -4.517 2.531 1.00 0.00 O ATOM 201 CB ARG A 69 63.282 -4.044 -0.172 1.00 0.00 C ATOM 202 CG ARG A 69 63.466 -3.625 -1.644 1.00 0.00 C ATOM 203 CD ARG A 69 64.553 -4.471 -2.313 1.00 0.00 C ATOM 204 NE ARG A 69 64.097 -4.928 -3.622 1.00 0.00 N ATOM 205 CZ ARG A 69 64.090 -4.121 -4.685 1.00 0.00 C ATOM 206 NH1 ARG A 69 64.492 -2.879 -4.586 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.679 -4.577 -5.838 1.00 0.00 N ATOM 0 H ARG A 69 65.157 -1.491 0.011 1.00 0.00 H new ATOM 0 HA ARG A 69 63.168 -2.128 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.778 -4.997 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.224 -4.189 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.525 -3.741 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.735 -2.570 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.466 -3.885 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.797 -5.328 -1.684 1.00 0.00 H new ATOM 0 HE ARG A 69 63.775 -5.890 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 69 64.816 -2.518 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 69 64.482 -2.273 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.366 -5.544 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 69 63.671 -3.966 -6.655 1.00 0.00 H new ATOM 221 N GLU A 70 64.883 -2.824 2.922 1.00 0.00 N ATOM 222 CA GLU A 70 65.147 -3.218 4.296 1.00 0.00 C ATOM 223 C GLU A 70 64.955 -2.036 5.223 1.00 0.00 C ATOM 224 O GLU A 70 65.256 -0.895 4.872 1.00 0.00 O ATOM 225 CB GLU A 70 66.564 -3.761 4.428 1.00 0.00 C ATOM 226 CG GLU A 70 66.718 -4.971 3.511 1.00 0.00 C ATOM 227 CD GLU A 70 65.793 -6.095 3.966 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.403 -6.084 5.121 1.00 0.00 O ATOM 229 OE2 GLU A 70 65.490 -6.950 3.151 1.00 0.00 O ATOM 0 H GLU A 70 65.386 -1.990 2.617 1.00 0.00 H new ATOM 0 HA GLU A 70 64.444 -4.003 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.289 -2.992 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.765 -4.043 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.484 -4.691 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.752 -5.315 3.520 1.00 0.00 H new ATOM 236 N ARG A 71 64.443 -2.321 6.403 1.00 0.00 N ATOM 237 CA ARG A 71 64.195 -1.287 7.385 1.00 0.00 C ATOM 238 C ARG A 71 65.434 -0.432 7.576 1.00 0.00 C ATOM 239 O ARG A 71 66.555 -0.885 7.350 1.00 0.00 O ATOM 240 CB ARG A 71 63.788 -1.935 8.698 1.00 0.00 C ATOM 241 CG ARG A 71 62.835 -1.011 9.450 1.00 0.00 C ATOM 242 CD ARG A 71 63.035 -1.202 10.949 1.00 0.00 C ATOM 243 NE ARG A 71 62.710 -2.573 11.332 1.00 0.00 N ATOM 244 CZ ARG A 71 62.987 -3.045 12.548 1.00 0.00 C ATOM 245 NH1 ARG A 71 63.577 -2.291 13.442 1.00 0.00 N ATOM 246 NH2 ARG A 71 62.661 -4.272 12.855 1.00 0.00 N ATOM 0 H ARG A 71 64.190 -3.262 6.705 1.00 0.00 H new ATOM 0 HA ARG A 71 63.389 -0.641 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.307 -2.894 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.671 -2.136 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.022 0.027 9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 71 61.803 -1.232 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 64.067 -0.977 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 71 62.404 -0.504 11.499 1.00 0.00 H new ATOM 0 HE ARG A 71 62.260 -3.185 10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 71 63.830 -1.330 13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 71 63.783 -2.665 14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 71 62.197 -4.864 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 71 62.871 -4.638 13.784 1.00 0.00 H new ATOM 260 N LEU A 72 65.220 0.814 7.967 1.00 0.00 N ATOM 261 CA LEU A 72 66.321 1.738 8.160 1.00 0.00 C ATOM 262 C LEU A 72 66.981 1.525 9.519 1.00 0.00 C ATOM 263 O LEU A 72 66.382 1.799 10.556 1.00 0.00 O ATOM 264 CB LEU A 72 65.790 3.168 8.066 1.00 0.00 C ATOM 265 CG LEU A 72 65.223 3.421 6.664 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.501 4.773 6.649 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.366 3.436 5.635 1.00 0.00 C ATOM 0 H LEU A 72 64.297 1.206 8.156 1.00 0.00 H new ATOM 0 HA LEU A 72 67.069 1.562 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.015 3.328 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.590 3.877 8.278 1.00 0.00 H new ATOM 0 HG LEU A 72 64.522 2.627 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.096 4.958 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.688 4.760 7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.205 5.564 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.958 3.616 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.072 4.228 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.880 2.475 5.648 1.00 0.00 H new ATOM 279 N ARG A 73 68.225 1.047 9.500 1.00 0.00 N ATOM 280 CA ARG A 73 68.972 0.818 10.736 1.00 0.00 C ATOM 281 C ARG A 73 69.610 2.115 11.219 1.00 0.00 C ATOM 282 O ARG A 73 69.816 3.038 10.433 1.00 0.00 O ATOM 283 CB ARG A 73 70.077 -0.222 10.532 1.00 0.00 C ATOM 284 CG ARG A 73 69.468 -1.614 10.399 1.00 0.00 C ATOM 285 CD ARG A 73 69.164 -1.909 8.932 1.00 0.00 C ATOM 286 NE ARG A 73 68.577 -3.237 8.799 1.00 0.00 N ATOM 287 CZ ARG A 73 69.320 -4.343 8.867 1.00 0.00 C ATOM 288 NH1 ARG A 73 70.613 -4.271 9.069 1.00 0.00 N ATOM 289 NH2 ARG A 73 68.752 -5.509 8.733 1.00 0.00 N ATOM 0 H ARG A 73 68.734 0.812 8.648 1.00 0.00 H new ATOM 0 HA ARG A 73 68.265 0.449 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.653 0.018 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 73 70.769 -0.198 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.156 -2.361 10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.554 -1.679 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 73 68.479 -1.159 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 73 70.079 -1.847 8.343 1.00 0.00 H new ATOM 0 HE ARG A 73 67.572 -3.323 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 73 71.063 -3.362 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 73 71.170 -5.124 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 73 67.746 -5.571 8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 73 69.314 -6.359 8.784 1.00 0.00 H new ATOM 303 N PRO A 74 69.937 2.209 12.481 1.00 0.00 N ATOM 304 CA PRO A 74 70.577 3.437 13.046 1.00 0.00 C ATOM 305 C PRO A 74 71.861 3.800 12.305 1.00 0.00 C ATOM 306 O PRO A 74 72.129 4.971 12.036 1.00 0.00 O ATOM 307 CB PRO A 74 70.869 3.048 14.497 1.00 0.00 C ATOM 308 CG PRO A 74 69.888 1.972 14.801 1.00 0.00 C ATOM 309 CD PRO A 74 69.747 1.177 13.514 1.00 0.00 C ATOM 0 HA PRO A 74 69.941 4.318 12.957 1.00 0.00 H new ATOM 0 HB2 PRO A 74 71.894 2.695 14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.746 3.898 15.168 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.239 1.340 15.617 1.00 0.00 H new ATOM 0 HG3 PRO A 74 68.930 2.390 15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.494 0.387 13.441 1.00 0.00 H new ATOM 0 HD3 PRO A 74 68.770 0.700 13.436 1.00 0.00 H new ATOM 317 N GLU A 75 72.643 2.781 11.964 1.00 0.00 N ATOM 318 CA GLU A 75 73.891 2.991 11.235 1.00 0.00 C ATOM 319 C GLU A 75 73.654 3.046 9.727 1.00 0.00 C ATOM 320 O GLU A 75 74.594 3.212 8.952 1.00 0.00 O ATOM 321 CB GLU A 75 74.895 1.885 11.551 1.00 0.00 C ATOM 322 CG GLU A 75 74.235 0.530 11.342 1.00 0.00 C ATOM 323 CD GLU A 75 75.290 -0.570 11.318 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.465 -0.238 11.313 1.00 0.00 O ATOM 325 OE2 GLU A 75 74.909 -1.729 11.304 1.00 0.00 O ATOM 0 H GLU A 75 72.437 1.805 12.179 1.00 0.00 H new ATOM 0 HA GLU A 75 74.297 3.950 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.770 1.979 10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.243 1.978 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.518 0.339 12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.677 0.529 10.406 1.00 0.00 H new ATOM 332 N ARG A 76 72.398 2.894 9.316 1.00 0.00 N ATOM 333 CA ARG A 76 72.052 2.914 7.902 1.00 0.00 C ATOM 334 C ARG A 76 72.263 4.289 7.298 1.00 0.00 C ATOM 335 O ARG A 76 72.428 4.429 6.086 1.00 0.00 O ATOM 336 CB ARG A 76 70.579 2.583 7.747 1.00 0.00 C ATOM 337 CG ARG A 76 70.329 2.068 6.333 1.00 0.00 C ATOM 338 CD ARG A 76 70.292 0.542 6.341 1.00 0.00 C ATOM 339 NE ARG A 76 71.640 -0.005 6.216 1.00 0.00 N ATOM 340 CZ ARG A 76 71.860 -1.318 6.096 1.00 0.00 C ATOM 341 NH1 ARG A 76 70.862 -2.167 6.084 1.00 0.00 N ATOM 342 NH2 ARG A 76 73.083 -1.762 5.986 1.00 0.00 N ATOM 0 H ARG A 76 71.605 2.756 9.943 1.00 0.00 H new ATOM 0 HA ARG A 76 72.690 2.189 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.284 1.831 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.973 3.469 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.386 2.462 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.114 2.419 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.835 0.189 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 76 69.671 0.184 5.520 1.00 0.00 H new ATOM 0 HE ARG A 76 72.436 0.633 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 76 69.903 -1.828 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 76 71.044 -3.166 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.866 -1.108 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 76 73.256 -2.763 5.894 1.00 0.00 H new ATOM 356 N GLU A 77 72.205 5.303 8.141 1.00 0.00 N ATOM 357 CA GLU A 77 72.334 6.665 7.680 1.00 0.00 C ATOM 358 C GLU A 77 71.287 6.951 6.618 1.00 0.00 C ATOM 359 O GLU A 77 71.609 7.177 5.452 1.00 0.00 O ATOM 360 CB GLU A 77 73.728 6.901 7.114 1.00 0.00 C ATOM 361 CG GLU A 77 73.941 8.397 6.886 1.00 0.00 C ATOM 362 CD GLU A 77 75.366 8.652 6.406 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.126 7.700 6.338 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.677 9.795 6.118 1.00 0.00 O ATOM 0 H GLU A 77 72.069 5.205 9.147 1.00 0.00 H new ATOM 0 HA GLU A 77 72.181 7.338 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.481 6.517 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.847 6.359 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.228 8.766 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.756 8.944 7.810 1.00 0.00 H new ATOM 371 N PRO A 78 70.040 6.932 7.006 1.00 0.00 N ATOM 372 CA PRO A 78 68.902 7.180 6.075 1.00 0.00 C ATOM 373 C PRO A 78 68.949 8.588 5.497 1.00 0.00 C ATOM 374 O PRO A 78 69.396 9.526 6.155 1.00 0.00 O ATOM 375 CB PRO A 78 67.655 6.986 6.947 1.00 0.00 C ATOM 376 CG PRO A 78 68.127 6.258 8.158 1.00 0.00 C ATOM 377 CD PRO A 78 69.563 6.684 8.377 1.00 0.00 C ATOM 0 HA PRO A 78 68.922 6.511 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.209 7.944 7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 78 66.891 6.415 6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.512 6.504 9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 78 68.059 5.180 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.630 7.578 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.144 5.907 8.874 1.00 0.00 H new ATOM 385 N ARG A 79 68.488 8.728 4.263 1.00 0.00 N ATOM 386 CA ARG A 79 68.480 10.025 3.604 1.00 0.00 C ATOM 387 C ARG A 79 67.239 10.166 2.734 1.00 0.00 C ATOM 388 O ARG A 79 66.727 9.177 2.222 1.00 0.00 O ATOM 389 CB ARG A 79 69.728 10.172 2.742 1.00 0.00 C ATOM 390 CG ARG A 79 70.591 11.338 3.238 1.00 0.00 C ATOM 391 CD ARG A 79 72.062 10.925 3.186 1.00 0.00 C ATOM 392 NE ARG A 79 72.922 12.078 3.434 1.00 0.00 N ATOM 393 CZ ARG A 79 74.214 11.938 3.743 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.760 10.750 3.821 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.941 12.998 3.973 1.00 0.00 N ATOM 0 H ARG A 79 68.116 7.963 3.700 1.00 0.00 H new ATOM 0 HA ARG A 79 68.470 10.806 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.306 9.248 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.442 10.340 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.425 12.219 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.311 11.607 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.256 10.152 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.292 10.495 2.211 1.00 0.00 H new ATOM 0 HE ARG A 79 72.526 13.016 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.197 9.918 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.748 10.657 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.522 13.926 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.928 12.898 4.209 1.00 0.00 H new ATOM 409 N LEU A 80 66.757 11.397 2.583 1.00 0.00 N ATOM 410 CA LEU A 80 65.557 11.645 1.787 1.00 0.00 C ATOM 411 C LEU A 80 65.884 12.267 0.430 1.00 0.00 C ATOM 412 O LEU A 80 66.509 13.321 0.349 1.00 0.00 O ATOM 413 CB LEU A 80 64.619 12.571 2.556 1.00 0.00 C ATOM 414 CG LEU A 80 63.344 12.792 1.748 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.142 12.352 2.581 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.212 14.278 1.406 1.00 0.00 C ATOM 0 H LEU A 80 67.174 12.231 2.997 1.00 0.00 H new ATOM 0 HA LEU A 80 65.078 10.683 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.377 12.136 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.110 13.525 2.748 1.00 0.00 H new ATOM 0 HG LEU A 80 63.385 12.210 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.227 12.507 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.239 11.295 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.101 12.939 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.302 14.439 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 80 63.166 14.860 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 64.074 14.594 0.819 1.00 0.00 H new ATOM 428 N LEU A 81 65.442 11.607 -0.637 1.00 0.00 N ATOM 429 CA LEU A 81 65.683 12.099 -1.985 1.00 0.00 C ATOM 430 C LEU A 81 64.743 13.248 -2.341 1.00 0.00 C ATOM 431 O LEU A 81 63.741 13.482 -1.666 1.00 0.00 O ATOM 432 CB LEU A 81 65.492 10.970 -2.997 1.00 0.00 C ATOM 433 CG LEU A 81 66.845 10.535 -3.557 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.730 10.010 -2.426 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.624 9.428 -4.592 1.00 0.00 C ATOM 0 H LEU A 81 64.917 10.734 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 81 66.709 12.466 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.997 10.124 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.844 11.303 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 81 67.337 11.387 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.694 9.701 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.882 10.797 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.246 9.157 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.585 9.111 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.133 8.579 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.996 9.805 -5.400 1.00 0.00 H new ATOM 447 N PRO A 82 65.049 13.954 -3.398 1.00 0.00 N ATOM 448 CA PRO A 82 64.225 15.101 -3.883 1.00 0.00 C ATOM 449 C PRO A 82 62.837 14.658 -4.349 1.00 0.00 C ATOM 450 O PRO A 82 61.931 15.478 -4.494 1.00 0.00 O ATOM 451 CB PRO A 82 65.022 15.670 -5.061 1.00 0.00 C ATOM 452 CG PRO A 82 66.376 15.051 -4.998 1.00 0.00 C ATOM 453 CD PRO A 82 66.217 13.732 -4.258 1.00 0.00 C ATOM 0 HA PRO A 82 64.051 15.828 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.534 15.438 -6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.089 16.756 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.774 14.888 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.077 15.705 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.055 12.903 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.105 13.491 -3.673 1.00 0.00 H new ATOM 461 N CYS A 83 62.680 13.357 -4.576 1.00 0.00 N ATOM 462 CA CYS A 83 61.402 12.813 -5.017 1.00 0.00 C ATOM 463 C CYS A 83 60.565 12.401 -3.813 1.00 0.00 C ATOM 464 O CYS A 83 59.452 11.895 -3.965 1.00 0.00 O ATOM 465 CB CYS A 83 61.632 11.614 -5.946 1.00 0.00 C ATOM 466 SG CYS A 83 62.753 10.439 -5.153 1.00 0.00 S ATOM 0 H CYS A 83 63.419 12.663 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 83 60.861 13.582 -5.569 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.682 11.130 -6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.053 11.951 -6.894 1.00 0.00 H new ATOM 471 N LEU A 84 61.118 12.631 -2.619 1.00 0.00 N ATOM 472 CA LEU A 84 60.444 12.309 -1.373 1.00 0.00 C ATOM 473 C LEU A 84 60.473 10.822 -1.093 1.00 0.00 C ATOM 474 O LEU A 84 59.455 10.213 -0.765 1.00 0.00 O ATOM 475 CB LEU A 84 58.999 12.823 -1.385 1.00 0.00 C ATOM 476 CG LEU A 84 58.620 13.354 -0.002 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.208 13.944 -0.058 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.653 12.206 1.009 1.00 0.00 C ATOM 0 H LEU A 84 62.042 13.044 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 84 60.985 12.811 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.892 13.613 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.321 12.020 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 84 59.327 14.126 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.933 14.324 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.183 14.759 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.502 13.170 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.383 12.582 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.943 11.435 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.656 11.781 1.045 1.00 0.00 H new ATOM 490 N HIS A 85 61.654 10.250 -1.190 1.00 0.00 N ATOM 491 CA HIS A 85 61.821 8.844 -0.907 1.00 0.00 C ATOM 492 C HIS A 85 63.036 8.640 -0.027 1.00 0.00 C ATOM 493 O HIS A 85 64.138 9.079 -0.356 1.00 0.00 O ATOM 494 CB HIS A 85 61.980 8.064 -2.202 1.00 0.00 C ATOM 495 CG HIS A 85 60.716 8.184 -3.007 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.724 8.385 -4.376 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.393 8.135 -2.646 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.447 8.452 -4.787 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.593 8.304 -3.772 1.00 0.00 N ATOM 0 H HIS A 85 62.509 10.736 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 85 60.936 8.480 -0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.826 8.449 -2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.191 7.016 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.028 7.988 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.148 8.607 -5.813 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.574 8.313 -3.813 1.00 0.00 H new ATOM 507 N SER A 86 62.827 7.978 1.090 1.00 0.00 N ATOM 508 CA SER A 86 63.921 7.727 2.013 1.00 0.00 C ATOM 509 C SER A 86 64.669 6.467 1.606 1.00 0.00 C ATOM 510 O SER A 86 64.069 5.492 1.155 1.00 0.00 O ATOM 511 CB SER A 86 63.399 7.551 3.434 1.00 0.00 C ATOM 512 OG SER A 86 62.682 8.714 3.825 1.00 0.00 O ATOM 0 H SER A 86 61.923 7.606 1.382 1.00 0.00 H new ATOM 0 HA SER A 86 64.592 8.585 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.751 6.676 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.229 7.376 4.118 1.00 0.00 H new ATOM 0 HG SER A 86 62.345 8.599 4.738 1.00 0.00 H new ATOM 518 N ALA A 87 65.982 6.500 1.767 1.00 0.00 N ATOM 519 CA ALA A 87 66.816 5.357 1.411 1.00 0.00 C ATOM 520 C ALA A 87 68.129 5.387 2.185 1.00 0.00 C ATOM 521 O ALA A 87 68.516 6.419 2.732 1.00 0.00 O ATOM 522 CB ALA A 87 67.107 5.359 -0.095 1.00 0.00 C ATOM 0 H ALA A 87 66.494 7.300 2.140 1.00 0.00 H new ATOM 0 HA ALA A 87 66.274 4.448 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.730 4.501 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.169 5.300 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.629 6.277 -0.363 1.00 0.00 H new ATOM 528 N CYS A 88 68.808 4.247 2.217 1.00 0.00 N ATOM 529 CA CYS A 88 70.081 4.140 2.913 1.00 0.00 C ATOM 530 C CYS A 88 71.138 4.937 2.161 1.00 0.00 C ATOM 531 O CYS A 88 71.227 4.835 0.947 1.00 0.00 O ATOM 532 CB CYS A 88 70.526 2.678 2.946 1.00 0.00 C ATOM 533 SG CYS A 88 69.119 1.600 3.296 1.00 0.00 S ATOM 0 H CYS A 88 68.497 3.385 1.769 1.00 0.00 H new ATOM 0 HA CYS A 88 69.963 4.523 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.972 2.405 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.295 2.542 3.707 1.00 0.00 H new ATOM 538 N SER A 89 71.950 5.709 2.867 1.00 0.00 N ATOM 539 CA SER A 89 72.980 6.489 2.201 1.00 0.00 C ATOM 540 C SER A 89 73.869 5.566 1.378 1.00 0.00 C ATOM 541 O SER A 89 74.248 5.896 0.254 1.00 0.00 O ATOM 542 CB SER A 89 73.821 7.241 3.231 1.00 0.00 C ATOM 543 OG SER A 89 74.824 7.989 2.559 1.00 0.00 O ATOM 0 H SER A 89 71.918 5.811 3.881 1.00 0.00 H new ATOM 0 HA SER A 89 72.505 7.215 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.188 7.905 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.279 6.538 3.927 1.00 0.00 H new ATOM 0 HG SER A 89 75.461 8.345 3.214 1.00 0.00 H new ATOM 549 N ALA A 90 74.178 4.395 1.924 1.00 0.00 N ATOM 550 CA ALA A 90 75.000 3.439 1.198 1.00 0.00 C ATOM 551 C ALA A 90 74.294 3.065 -0.101 1.00 0.00 C ATOM 552 O ALA A 90 74.924 2.954 -1.147 1.00 0.00 O ATOM 553 CB ALA A 90 75.237 2.186 2.044 1.00 0.00 C ATOM 0 H ALA A 90 73.877 4.090 2.850 1.00 0.00 H new ATOM 0 HA ALA A 90 75.967 3.890 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.854 1.481 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.746 2.461 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.280 1.721 2.282 1.00 0.00 H new ATOM 559 N CYS A 91 72.971 2.903 -0.020 1.00 0.00 N ATOM 560 CA CYS A 91 72.161 2.579 -1.189 1.00 0.00 C ATOM 561 C CYS A 91 72.151 3.753 -2.166 1.00 0.00 C ATOM 562 O CYS A 91 72.150 3.578 -3.389 1.00 0.00 O ATOM 563 CB CYS A 91 70.733 2.221 -0.760 1.00 0.00 C ATOM 564 SG CYS A 91 70.753 0.612 0.068 1.00 0.00 S ATOM 0 H CYS A 91 72.440 2.992 0.847 1.00 0.00 H new ATOM 0 HA CYS A 91 72.597 1.716 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.339 2.985 -0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 91 70.076 2.189 -1.629 1.00 0.00 H new ATOM 569 N LEU A 92 72.132 4.953 -1.607 1.00 0.00 N ATOM 570 CA LEU A 92 72.105 6.168 -2.406 1.00 0.00 C ATOM 571 C LEU A 92 73.376 6.327 -3.239 1.00 0.00 C ATOM 572 O LEU A 92 73.324 6.827 -4.362 1.00 0.00 O ATOM 573 CB LEU A 92 71.914 7.395 -1.502 1.00 0.00 C ATOM 574 CG LEU A 92 70.533 7.364 -0.836 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.358 8.619 0.012 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.422 7.288 -1.886 1.00 0.00 C ATOM 0 H LEU A 92 72.135 5.112 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 92 71.263 6.090 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.692 7.416 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.020 8.307 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 92 70.466 6.477 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.378 8.603 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 92 71.133 8.652 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.438 9.501 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.452 7.267 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.477 8.160 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.544 6.383 -2.480 1.00 0.00 H new ATOM 588 N GLY A 93 74.514 5.918 -2.690 1.00 0.00 N ATOM 589 CA GLY A 93 75.780 6.043 -3.411 1.00 0.00 C ATOM 590 C GLY A 93 75.672 5.510 -4.843 1.00 0.00 C ATOM 591 O GLY A 93 75.827 6.267 -5.802 1.00 0.00 O ATOM 0 H GLY A 93 74.589 5.502 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 93 76.084 7.090 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.558 5.497 -2.877 1.00 0.00 H new ATOM 595 N PRO A 94 75.402 4.239 -5.011 1.00 0.00 N ATOM 596 CA PRO A 94 75.264 3.620 -6.362 1.00 0.00 C ATOM 597 C PRO A 94 73.989 4.068 -7.069 1.00 0.00 C ATOM 598 O PRO A 94 73.888 3.986 -8.293 1.00 0.00 O ATOM 599 CB PRO A 94 75.248 2.119 -6.078 1.00 0.00 C ATOM 600 CG PRO A 94 74.740 1.995 -4.683 1.00 0.00 C ATOM 601 CD PRO A 94 75.197 3.251 -3.941 1.00 0.00 C ATOM 0 HA PRO A 94 76.071 3.913 -7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 94 74.603 1.591 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 94 76.245 1.689 -6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 94 73.653 1.912 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.133 1.098 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 94 74.447 3.587 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 94 76.115 3.072 -3.381 1.00 0.00 H new ATOM 609 N ALA A 95 73.016 4.535 -6.289 1.00 0.00 N ATOM 610 CA ALA A 95 71.748 4.990 -6.852 1.00 0.00 C ATOM 611 C ALA A 95 71.925 6.273 -7.664 1.00 0.00 C ATOM 612 O ALA A 95 71.567 7.352 -7.209 1.00 0.00 O ATOM 613 CB ALA A 95 70.740 5.237 -5.725 1.00 0.00 C ATOM 0 H ALA A 95 73.081 4.608 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 95 71.379 4.211 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.795 5.576 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.578 4.311 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.129 5.999 -5.050 1.00 0.00 H new ATOM 619 N ALA A 96 72.475 6.136 -8.873 1.00 0.00 N ATOM 620 CA ALA A 96 72.682 7.274 -9.764 1.00 0.00 C ATOM 621 C ALA A 96 72.859 6.777 -11.208 1.00 0.00 C ATOM 622 O ALA A 96 73.399 5.692 -11.420 1.00 0.00 O ATOM 623 CB ALA A 96 73.926 8.041 -9.337 1.00 0.00 C ATOM 0 H ALA A 96 72.785 5.243 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 96 71.814 7.932 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.077 8.890 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.799 8.401 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.794 7.383 -9.385 1.00 0.00 H new ATOM 629 N PRO A 97 72.434 7.529 -12.201 1.00 0.00 N ATOM 630 CA PRO A 97 72.581 7.116 -13.635 1.00 0.00 C ATOM 631 C PRO A 97 74.028 6.786 -13.998 1.00 0.00 C ATOM 632 O PRO A 97 74.291 5.825 -14.721 1.00 0.00 O ATOM 633 CB PRO A 97 72.099 8.347 -14.408 1.00 0.00 C ATOM 634 CG PRO A 97 71.157 9.020 -13.476 1.00 0.00 C ATOM 635 CD PRO A 97 71.763 8.836 -12.091 1.00 0.00 C ATOM 0 HA PRO A 97 72.020 6.209 -13.860 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.930 9.000 -14.674 1.00 0.00 H new ATOM 0 HB3 PRO A 97 71.605 8.065 -15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 97 71.049 10.077 -13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 97 70.163 8.576 -13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.466 9.633 -11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.000 8.835 -11.312 1.00 0.00 H new ATOM 643 N ALA A 98 74.956 7.591 -13.485 1.00 0.00 N ATOM 644 CA ALA A 98 76.378 7.385 -13.750 1.00 0.00 C ATOM 645 C ALA A 98 76.627 7.106 -15.231 1.00 0.00 C ATOM 646 O ALA A 98 77.559 6.384 -15.585 1.00 0.00 O ATOM 647 CB ALA A 98 76.902 6.218 -12.914 1.00 0.00 C ATOM 0 H ALA A 98 74.750 8.390 -12.885 1.00 0.00 H new ATOM 0 HA ALA A 98 76.908 8.298 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 98 77.963 6.072 -13.118 1.00 0.00 H new ATOM 0 HB2 ALA A 98 76.763 6.437 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 98 76.355 5.311 -13.172 1.00 0.00 H new ATOM 653 N ALA A 99 75.788 7.676 -16.092 1.00 0.00 N ATOM 654 CA ALA A 99 75.932 7.473 -17.531 1.00 0.00 C ATOM 655 C ALA A 99 76.138 8.804 -18.249 1.00 0.00 C ATOM 656 O ALA A 99 75.194 9.573 -18.430 1.00 0.00 O ATOM 657 CB ALA A 99 74.684 6.785 -18.084 1.00 0.00 C ATOM 0 H ALA A 99 75.009 8.276 -15.822 1.00 0.00 H new ATOM 0 HA ALA A 99 76.806 6.845 -17.703 1.00 0.00 H new ATOM 0 HB1 ALA A 99 74.796 6.636 -19.158 1.00 0.00 H new ATOM 0 HB2 ALA A 99 74.554 5.819 -17.595 1.00 0.00 H new ATOM 0 HB3 ALA A 99 73.810 7.408 -17.894 1.00 0.00 H new ATOM 663 N ALA A 100 77.374 9.064 -18.662 1.00 0.00 N ATOM 664 CA ALA A 100 77.686 10.302 -19.367 1.00 0.00 C ATOM 665 C ALA A 100 76.923 10.372 -20.687 1.00 0.00 C ATOM 666 O ALA A 100 76.403 11.423 -21.062 1.00 0.00 O ATOM 667 CB ALA A 100 79.188 10.384 -19.639 1.00 0.00 C ATOM 0 H ALA A 100 78.169 8.441 -18.523 1.00 0.00 H new ATOM 0 HA ALA A 100 77.385 11.141 -18.740 1.00 0.00 H new ATOM 0 HB1 ALA A 100 79.412 11.312 -20.166 1.00 0.00 H new ATOM 0 HB2 ALA A 100 79.731 10.363 -18.694 1.00 0.00 H new ATOM 0 HB3 ALA A 100 79.494 9.536 -20.252 1.00 0.00 H new ATOM 673 N ASN A 101 76.861 9.243 -21.385 1.00 0.00 N ATOM 674 CA ASN A 101 76.159 9.178 -22.663 1.00 0.00 C ATOM 675 C ASN A 101 74.650 9.213 -22.452 1.00 0.00 C ATOM 676 O ASN A 101 74.116 8.494 -21.606 1.00 0.00 O ATOM 677 CB ASN A 101 76.543 7.899 -23.410 1.00 0.00 C ATOM 678 CG ASN A 101 76.063 7.977 -24.856 1.00 0.00 C ATOM 679 OD1 ASN A 101 76.092 9.048 -25.463 1.00 0.00 O ATOM 680 ND2 ASN A 101 75.621 6.901 -25.446 1.00 0.00 N ATOM 0 H ASN A 101 77.286 8.364 -21.090 1.00 0.00 H new ATOM 0 HA ASN A 101 76.450 10.045 -23.256 1.00 0.00 H new ATOM 0 HB2 ASN A 101 77.624 7.763 -23.384 1.00 0.00 H new ATOM 0 HB3 ASN A 101 76.101 7.033 -22.917 1.00 0.00 H new ATOM 0 HD21 ASN A 101 75.298 6.945 -26.413 1.00 0.00 H new ATOM 0 HD22 ASN A 101 75.598 6.015 -24.941 1.00 0.00 H new ATOM 687 N SER A 102 73.965 10.049 -23.225 1.00 0.00 N ATOM 688 CA SER A 102 72.517 10.162 -23.111 1.00 0.00 C ATOM 689 C SER A 102 71.852 8.832 -23.453 1.00 0.00 C ATOM 690 O SER A 102 72.333 8.090 -24.308 1.00 0.00 O ATOM 691 CB SER A 102 72.001 11.250 -24.055 1.00 0.00 C ATOM 692 OG SER A 102 72.543 12.505 -23.666 1.00 0.00 O ATOM 0 H SER A 102 74.385 10.653 -23.931 1.00 0.00 H new ATOM 0 HA SER A 102 72.270 10.428 -22.083 1.00 0.00 H new ATOM 0 HB2 SER A 102 72.285 11.021 -25.082 1.00 0.00 H new ATOM 0 HB3 SER A 102 70.912 11.286 -24.026 1.00 0.00 H new ATOM 0 HG SER A 102 72.216 13.204 -24.270 1.00 0.00 H new ATOM 698 N SER A 103 70.748 8.535 -22.774 1.00 0.00 N ATOM 699 CA SER A 103 70.031 7.289 -23.012 1.00 0.00 C ATOM 700 C SER A 103 68.533 7.478 -22.793 1.00 0.00 C ATOM 701 O SER A 103 68.112 8.272 -21.953 1.00 0.00 O ATOM 702 CB SER A 103 70.551 6.200 -22.073 1.00 0.00 C ATOM 703 OG SER A 103 69.835 4.995 -22.309 1.00 0.00 O ATOM 0 H SER A 103 70.334 9.135 -22.061 1.00 0.00 H new ATOM 0 HA SER A 103 70.199 6.989 -24.046 1.00 0.00 H new ATOM 0 HB2 SER A 103 71.617 6.041 -22.237 1.00 0.00 H new ATOM 0 HB3 SER A 103 70.431 6.511 -21.035 1.00 0.00 H new ATOM 0 HG SER A 103 70.167 4.294 -21.710 1.00 0.00 H new ATOM 709 N GLY A 104 67.733 6.741 -23.559 1.00 0.00 N ATOM 710 CA GLY A 104 66.282 6.831 -23.447 1.00 0.00 C ATOM 711 C GLY A 104 65.709 7.745 -24.526 1.00 0.00 C ATOM 712 O GLY A 104 66.416 8.585 -25.080 1.00 0.00 O ATOM 0 H GLY A 104 68.064 6.078 -24.260 1.00 0.00 H new ATOM 0 HA2 GLY A 104 65.844 5.837 -23.536 1.00 0.00 H new ATOM 0 HA3 GLY A 104 66.012 7.211 -22.462 1.00 0.00 H new ATOM 716 N ASP A 105 64.425 7.572 -24.819 1.00 0.00 N ATOM 717 CA ASP A 105 63.767 8.385 -25.834 1.00 0.00 C ATOM 718 C ASP A 105 63.750 9.852 -25.419 1.00 0.00 C ATOM 719 O ASP A 105 63.602 10.171 -24.239 1.00 0.00 O ATOM 720 CB ASP A 105 62.333 7.895 -26.049 1.00 0.00 C ATOM 721 CG ASP A 105 62.345 6.556 -26.778 1.00 0.00 C ATOM 722 OD1 ASP A 105 63.390 6.193 -27.292 1.00 0.00 O ATOM 723 OD2 ASP A 105 61.308 5.913 -26.811 1.00 0.00 O ATOM 0 H ASP A 105 63.823 6.881 -24.371 1.00 0.00 H new ATOM 0 HA ASP A 105 64.325 8.290 -26.765 1.00 0.00 H new ATOM 0 HB2 ASP A 105 61.827 7.792 -25.089 1.00 0.00 H new ATOM 0 HB3 ASP A 105 61.772 8.629 -26.628 1.00 0.00 H new ATOM 728 N GLY A 106 63.904 10.741 -26.395 1.00 0.00 N ATOM 729 CA GLY A 106 63.906 12.171 -26.116 1.00 0.00 C ATOM 730 C GLY A 106 65.178 12.578 -25.384 1.00 0.00 C ATOM 731 O GLY A 106 66.208 11.911 -25.491 1.00 0.00 O ATOM 0 H GLY A 106 64.028 10.499 -27.378 1.00 0.00 H new ATOM 0 HA2 GLY A 106 63.824 12.728 -27.049 1.00 0.00 H new ATOM 0 HA3 GLY A 106 63.036 12.430 -25.513 1.00 0.00 H new ATOM 735 N GLY A 107 65.103 13.675 -24.638 1.00 0.00 N ATOM 736 CA GLY A 107 66.258 14.157 -23.891 1.00 0.00 C ATOM 737 C GLY A 107 66.570 13.234 -22.719 1.00 0.00 C ATOM 738 O GLY A 107 65.703 12.495 -22.251 1.00 0.00 O ATOM 0 H GLY A 107 64.262 14.243 -24.535 1.00 0.00 H new ATOM 0 HA2 GLY A 107 67.123 14.219 -24.551 1.00 0.00 H new ATOM 0 HA3 GLY A 107 66.064 15.165 -23.524 1.00 0.00 H new ATOM 742 N ALA A 108 67.811 13.282 -22.248 1.00 0.00 N ATOM 743 CA ALA A 108 68.224 12.445 -21.128 1.00 0.00 C ATOM 744 C ALA A 108 69.291 13.152 -20.298 1.00 0.00 C ATOM 745 O ALA A 108 70.067 13.952 -20.820 1.00 0.00 O ATOM 746 CB ALA A 108 68.776 11.115 -21.646 1.00 0.00 C ATOM 0 H ALA A 108 68.543 13.886 -22.621 1.00 0.00 H new ATOM 0 HA ALA A 108 67.355 12.256 -20.498 1.00 0.00 H new ATOM 0 HB1 ALA A 108 69.082 10.495 -20.803 1.00 0.00 H new ATOM 0 HB2 ALA A 108 68.004 10.597 -22.215 1.00 0.00 H new ATOM 0 HB3 ALA A 108 69.636 11.304 -22.289 1.00 0.00 H new ATOM 752 N ALA A 109 69.321 12.853 -19.004 1.00 0.00 N ATOM 753 CA ALA A 109 70.295 13.469 -18.112 1.00 0.00 C ATOM 754 C ALA A 109 70.592 12.557 -16.927 1.00 0.00 C ATOM 755 O ALA A 109 69.748 11.760 -16.518 1.00 0.00 O ATOM 756 CB ALA A 109 69.761 14.809 -17.603 1.00 0.00 C ATOM 0 H ALA A 109 68.687 12.193 -18.553 1.00 0.00 H new ATOM 0 HA ALA A 109 71.217 13.631 -18.670 1.00 0.00 H new ATOM 0 HB1 ALA A 109 70.494 15.264 -16.937 1.00 0.00 H new ATOM 0 HB2 ALA A 109 69.578 15.473 -18.448 1.00 0.00 H new ATOM 0 HB3 ALA A 109 68.829 14.647 -17.061 1.00 0.00 H new ATOM 762 N GLY A 110 71.794 12.687 -16.377 1.00 0.00 N ATOM 763 CA GLY A 110 72.192 11.876 -15.232 1.00 0.00 C ATOM 764 C GLY A 110 73.642 12.141 -14.854 1.00 0.00 C ATOM 765 O GLY A 110 74.323 12.943 -15.493 1.00 0.00 O ATOM 0 H GLY A 110 72.506 13.341 -16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.545 12.097 -14.383 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.061 10.820 -15.467 1.00 0.00 H new ATOM 769 N ASP A 111 74.105 11.457 -13.813 1.00 0.00 N ATOM 770 CA ASP A 111 75.486 11.619 -13.354 1.00 0.00 C ATOM 771 C ASP A 111 75.731 13.043 -12.866 1.00 0.00 C ATOM 772 O ASP A 111 76.425 13.824 -13.516 1.00 0.00 O ATOM 773 CB ASP A 111 76.458 11.292 -14.490 1.00 0.00 C ATOM 774 CG ASP A 111 77.880 11.191 -13.947 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.086 11.577 -12.809 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.741 10.729 -14.677 1.00 0.00 O ATOM 0 H ASP A 111 73.553 10.790 -13.273 1.00 0.00 H new ATOM 0 HA ASP A 111 75.652 10.932 -12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.173 10.353 -14.964 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.407 12.065 -15.257 1.00 0.00 H new ATOM 781 N GLY A 112 75.131 13.380 -11.728 1.00 0.00 N ATOM 782 CA GLY A 112 75.262 14.715 -11.168 1.00 0.00 C ATOM 783 C GLY A 112 73.964 15.486 -11.345 1.00 0.00 C ATOM 784 O GLY A 112 73.797 16.577 -10.800 1.00 0.00 O ATOM 0 H GLY A 112 74.551 12.746 -11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.514 14.651 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.078 15.245 -11.659 1.00 0.00 H new ATOM 788 N THR A 113 73.044 14.901 -12.105 1.00 0.00 N ATOM 789 CA THR A 113 71.755 15.524 -12.340 1.00 0.00 C ATOM 790 C THR A 113 70.634 14.667 -11.751 1.00 0.00 C ATOM 791 O THR A 113 70.610 14.424 -10.547 1.00 0.00 O ATOM 792 CB THR A 113 71.562 15.788 -13.837 1.00 0.00 C ATOM 793 OG1 THR A 113 71.678 14.566 -14.544 1.00 0.00 O ATOM 794 CG2 THR A 113 72.628 16.768 -14.332 1.00 0.00 C ATOM 0 H THR A 113 73.170 14.000 -12.565 1.00 0.00 H new ATOM 0 HA THR A 113 71.720 16.488 -11.833 1.00 0.00 H new ATOM 0 HB THR A 113 70.575 16.219 -14.005 1.00 0.00 H new ATOM 0 HG1 THR A 113 72.490 14.581 -15.092 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.486 16.952 -15.397 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.540 17.707 -13.786 1.00 0.00 H new ATOM 0 HG23 THR A 113 73.618 16.343 -14.166 1.00 0.00 H new ATOM 802 N VAL A 114 69.706 14.216 -12.582 1.00 0.00 N ATOM 803 CA VAL A 114 68.606 13.402 -12.090 1.00 0.00 C ATOM 804 C VAL A 114 69.139 12.103 -11.504 1.00 0.00 C ATOM 805 O VAL A 114 70.126 11.552 -11.990 1.00 0.00 O ATOM 806 CB VAL A 114 67.636 13.089 -13.232 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.421 14.337 -14.090 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.219 11.968 -14.096 1.00 0.00 C ATOM 0 H VAL A 114 69.692 14.397 -13.586 1.00 0.00 H new ATOM 0 HA VAL A 114 68.080 13.956 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 114 66.679 12.774 -12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.730 14.107 -14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.005 15.135 -13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.375 14.660 -14.507 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.531 11.742 -14.911 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.177 12.286 -14.507 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.365 11.077 -13.486 1.00 0.00 H new ATOM 818 N VAL A 115 68.486 11.622 -10.453 1.00 0.00 N ATOM 819 CA VAL A 115 68.912 10.390 -9.808 1.00 0.00 C ATOM 820 C VAL A 115 67.901 9.275 -10.008 1.00 0.00 C ATOM 821 O VAL A 115 66.699 9.461 -9.814 1.00 0.00 O ATOM 822 CB VAL A 115 69.114 10.598 -8.314 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.533 9.266 -7.673 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.200 11.653 -8.090 1.00 0.00 C ATOM 0 H VAL A 115 67.667 12.063 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 115 69.856 10.105 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 115 68.186 10.941 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.680 9.408 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.753 8.522 -7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.464 8.922 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.346 11.803 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.134 11.315 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 115 69.895 12.593 -8.550 1.00 0.00 H new ATOM 834 N ASP A 116 68.405 8.110 -10.378 1.00 0.00 N ATOM 835 CA ASP A 116 67.548 6.953 -10.585 1.00 0.00 C ATOM 836 C ASP A 116 67.086 6.400 -9.246 1.00 0.00 C ATOM 837 O ASP A 116 67.846 5.779 -8.503 1.00 0.00 O ATOM 838 CB ASP A 116 68.283 5.870 -11.387 1.00 0.00 C ATOM 839 CG ASP A 116 69.567 5.438 -10.677 1.00 0.00 C ATOM 840 OD1 ASP A 116 69.971 6.111 -9.743 1.00 0.00 O ATOM 841 OD2 ASP A 116 70.130 4.435 -11.082 1.00 0.00 O ATOM 0 H ASP A 116 69.397 7.940 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 116 66.675 7.266 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 116 67.631 5.007 -11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 116 68.522 6.248 -12.381 1.00 0.00 H new ATOM 846 N CYS A 117 65.822 6.645 -8.953 1.00 0.00 N ATOM 847 CA CYS A 117 65.216 6.200 -7.714 1.00 0.00 C ATOM 848 C CYS A 117 64.335 4.997 -8.009 1.00 0.00 C ATOM 849 O CYS A 117 63.508 5.077 -8.878 1.00 0.00 O ATOM 850 CB CYS A 117 64.349 7.329 -7.181 1.00 0.00 C ATOM 851 SG CYS A 117 64.016 7.066 -5.424 1.00 0.00 S ATOM 0 H CYS A 117 65.189 7.157 -9.567 1.00 0.00 H new ATOM 0 HA CYS A 117 65.980 5.930 -6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.851 8.285 -7.326 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.412 7.373 -7.736 1.00 0.00 H new ATOM 856 N PRO A 118 64.470 3.889 -7.351 1.00 0.00 N ATOM 857 CA PRO A 118 63.615 2.712 -7.673 1.00 0.00 C ATOM 858 C PRO A 118 62.138 2.936 -7.352 1.00 0.00 C ATOM 859 O PRO A 118 61.290 2.119 -7.711 1.00 0.00 O ATOM 860 CB PRO A 118 64.218 1.587 -6.831 1.00 0.00 C ATOM 861 CG PRO A 118 64.889 2.279 -5.691 1.00 0.00 C ATOM 862 CD PRO A 118 65.407 3.605 -6.251 1.00 0.00 C ATOM 0 HA PRO A 118 63.613 2.493 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.448 0.901 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.929 0.998 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.191 2.448 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.706 1.676 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.396 4.393 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.434 3.519 -6.607 1.00 0.00 H new ATOM 870 N VAL A 119 61.829 4.032 -6.675 1.00 0.00 N ATOM 871 CA VAL A 119 60.446 4.316 -6.321 1.00 0.00 C ATOM 872 C VAL A 119 59.723 5.045 -7.458 1.00 0.00 C ATOM 873 O VAL A 119 58.683 4.588 -7.930 1.00 0.00 O ATOM 874 CB VAL A 119 60.407 5.160 -5.053 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.954 5.354 -4.621 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.189 4.443 -3.946 1.00 0.00 C ATOM 0 H VAL A 119 62.505 4.730 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 119 59.933 3.370 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 119 60.859 6.134 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.922 5.957 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.403 5.860 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.499 4.383 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.164 5.043 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.736 3.471 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.223 4.305 -4.262 1.00 0.00 H new ATOM 886 N CYS A 120 60.281 6.169 -7.905 1.00 0.00 N ATOM 887 CA CYS A 120 59.670 6.925 -9.000 1.00 0.00 C ATOM 888 C CYS A 120 60.460 6.732 -10.286 1.00 0.00 C ATOM 889 O CYS A 120 59.912 6.803 -11.386 1.00 0.00 O ATOM 890 CB CYS A 120 59.620 8.412 -8.664 1.00 0.00 C ATOM 891 SG CYS A 120 61.249 8.973 -8.093 1.00 0.00 S ATOM 0 H CYS A 120 61.141 6.572 -7.534 1.00 0.00 H new ATOM 0 HA CYS A 120 58.655 6.552 -9.138 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.317 8.982 -9.542 1.00 0.00 H new ATOM 0 HB3 CYS A 120 58.872 8.594 -7.892 1.00 0.00 H new ATOM 896 N LYS A 121 61.746 6.468 -10.130 1.00 0.00 N ATOM 897 CA LYS A 121 62.630 6.235 -11.265 1.00 0.00 C ATOM 898 C LYS A 121 62.711 7.464 -12.162 1.00 0.00 C ATOM 899 O LYS A 121 62.823 7.349 -13.383 1.00 0.00 O ATOM 900 CB LYS A 121 62.137 5.024 -12.056 1.00 0.00 C ATOM 901 CG LYS A 121 61.916 3.839 -11.109 1.00 0.00 C ATOM 902 CD LYS A 121 62.907 2.707 -11.401 1.00 0.00 C ATOM 903 CE LYS A 121 64.342 3.246 -11.423 1.00 0.00 C ATOM 904 NZ LYS A 121 65.289 2.164 -11.034 1.00 0.00 N ATOM 0 H LYS A 121 62.206 6.409 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 121 63.634 6.036 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.208 5.268 -12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 121 62.865 4.758 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 121 62.030 4.169 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 121 60.896 3.470 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.815 1.930 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.670 2.246 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 121 64.587 3.617 -12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.435 4.088 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 66.239 2.388 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 65.321 2.087 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 64.969 1.261 -11.439 1.00 0.00 H new ATOM 918 N GLN A 122 62.675 8.641 -11.544 1.00 0.00 N ATOM 919 CA GLN A 122 62.766 9.887 -12.292 1.00 0.00 C ATOM 920 C GLN A 122 63.029 11.062 -11.358 1.00 0.00 C ATOM 921 O GLN A 122 62.488 11.127 -10.253 1.00 0.00 O ATOM 922 CB GLN A 122 61.482 10.141 -13.075 1.00 0.00 C ATOM 923 CG GLN A 122 61.645 11.420 -13.901 1.00 0.00 C ATOM 924 CD GLN A 122 60.358 11.704 -14.669 1.00 0.00 C ATOM 925 OE1 GLN A 122 59.297 11.867 -14.064 1.00 0.00 O ATOM 926 NE2 GLN A 122 60.386 11.768 -15.971 1.00 0.00 N ATOM 0 H GLN A 122 62.584 8.756 -10.535 1.00 0.00 H new ATOM 0 HA GLN A 122 63.598 9.794 -12.990 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.267 9.296 -13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 122 60.638 10.239 -12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 122 61.882 12.259 -13.247 1.00 0.00 H new ATOM 0 HG3 GLN A 122 62.478 11.312 -14.596 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.266 11.633 -16.469 1.00 0.00 H new ATOM 0 HE22 GLN A 122 59.528 11.953 -16.491 1.00 0.00 H new ATOM 935 N GLN A 123 63.856 11.991 -11.817 1.00 0.00 N ATOM 936 CA GLN A 123 64.185 13.171 -11.028 1.00 0.00 C ATOM 937 C GLN A 123 64.492 14.353 -11.934 1.00 0.00 C ATOM 938 O GLN A 123 64.823 14.176 -13.103 1.00 0.00 O ATOM 939 CB GLN A 123 65.385 12.876 -10.132 1.00 0.00 C ATOM 940 CG GLN A 123 64.920 12.709 -8.685 1.00 0.00 C ATOM 941 CD GLN A 123 64.366 14.032 -8.172 1.00 0.00 C ATOM 942 OE1 GLN A 123 63.270 14.073 -7.612 1.00 0.00 O ATOM 943 NE2 GLN A 123 65.058 15.125 -8.341 1.00 0.00 N ATOM 0 H GLN A 123 64.311 11.951 -12.729 1.00 0.00 H new ATOM 0 HA GLN A 123 63.326 13.426 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.889 11.970 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.110 13.687 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.155 11.935 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.752 12.384 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.965 15.087 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.692 16.017 -8.009 1.00 0.00 H new ATOM 952 N CYS A 124 64.378 15.559 -11.389 1.00 0.00 N ATOM 953 CA CYS A 124 64.659 16.760 -12.163 1.00 0.00 C ATOM 954 C CYS A 124 66.090 17.221 -11.913 1.00 0.00 C ATOM 955 O CYS A 124 66.832 17.522 -12.848 1.00 0.00 O ATOM 956 CB CYS A 124 63.684 17.874 -11.776 1.00 0.00 C ATOM 957 SG CYS A 124 61.999 17.381 -12.215 1.00 0.00 S ATOM 0 H CYS A 124 64.096 15.729 -10.424 1.00 0.00 H new ATOM 0 HA CYS A 124 64.538 16.530 -13.222 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.749 18.073 -10.706 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.949 18.798 -12.289 1.00 0.00 H new ATOM 0 HG CYS A 124 61.170 18.326 -11.884 1.00 0.00 H new ATOM 963 N PHE A 125 66.468 17.272 -10.640 1.00 0.00 N ATOM 964 CA PHE A 125 67.812 17.697 -10.262 1.00 0.00 C ATOM 965 C PHE A 125 68.312 16.881 -9.082 1.00 0.00 C ATOM 966 O PHE A 125 67.585 16.052 -8.533 1.00 0.00 O ATOM 967 CB PHE A 125 67.817 19.171 -9.875 1.00 0.00 C ATOM 968 CG PHE A 125 67.159 19.980 -10.966 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.882 20.518 -10.768 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.825 20.187 -12.180 1.00 0.00 C ATOM 971 CE1 PHE A 125 65.271 21.263 -11.784 1.00 0.00 C ATOM 972 CE2 PHE A 125 67.216 20.933 -13.195 1.00 0.00 C ATOM 973 CZ PHE A 125 65.939 21.471 -12.997 1.00 0.00 C ATOM 0 H PHE A 125 65.866 17.025 -9.855 1.00 0.00 H new ATOM 0 HA PHE A 125 68.466 17.543 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 125 67.287 19.312 -8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.840 19.514 -9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 125 65.368 20.358 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.810 19.771 -12.333 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.285 21.677 -11.632 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.731 21.094 -14.131 1.00 0.00 H new ATOM 0 HZ PHE A 125 65.469 22.047 -13.780 1.00 0.00 H new ATOM 983 N SER A 126 69.558 17.127 -8.691 1.00 0.00 N ATOM 984 CA SER A 126 70.145 16.415 -7.567 1.00 0.00 C ATOM 985 C SER A 126 70.582 17.378 -6.465 1.00 0.00 C ATOM 986 O SER A 126 71.689 17.288 -5.936 1.00 0.00 O ATOM 987 CB SER A 126 71.333 15.589 -8.039 1.00 0.00 C ATOM 988 OG SER A 126 71.932 16.226 -9.159 1.00 0.00 O ATOM 0 H SER A 126 70.175 17.809 -9.133 1.00 0.00 H new ATOM 0 HA SER A 126 69.385 15.753 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.060 15.484 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.008 14.584 -8.308 1.00 0.00 H new ATOM 0 HG SER A 126 72.891 16.025 -9.175 1.00 0.00 H new ATOM 994 N LYS A 127 69.705 18.304 -6.129 1.00 0.00 N ATOM 995 CA LYS A 127 70.003 19.282 -5.088 1.00 0.00 C ATOM 996 C LYS A 127 69.607 18.761 -3.704 1.00 0.00 C ATOM 997 O LYS A 127 70.217 19.126 -2.699 1.00 0.00 O ATOM 998 CB LYS A 127 69.265 20.584 -5.375 1.00 0.00 C ATOM 999 CG LYS A 127 69.639 21.109 -6.769 1.00 0.00 C ATOM 1000 CD LYS A 127 71.134 21.444 -6.827 1.00 0.00 C ATOM 1001 CE LYS A 127 71.475 22.013 -8.205 1.00 0.00 C ATOM 1002 NZ LYS A 127 72.932 22.321 -8.264 1.00 0.00 N ATOM 0 H LYS A 127 68.784 18.404 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 127 71.078 19.459 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 127 68.189 20.421 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 127 69.517 21.328 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.397 20.361 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 127 69.051 21.997 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 127 71.386 22.166 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 127 71.726 20.549 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 127 71.211 21.296 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.893 22.915 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 73.167 22.708 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 73.169 23.019 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 73.478 21.451 -8.102 1.00 0.00 H new ATOM 1016 N ASP A 128 68.574 17.922 -3.655 1.00 0.00 N ATOM 1017 CA ASP A 128 68.099 17.377 -2.386 1.00 0.00 C ATOM 1018 C ASP A 128 68.483 15.905 -2.215 1.00 0.00 C ATOM 1019 O ASP A 128 67.914 15.204 -1.378 1.00 0.00 O ATOM 1020 CB ASP A 128 66.582 17.526 -2.300 1.00 0.00 C ATOM 1021 CG ASP A 128 66.211 18.995 -2.121 1.00 0.00 C ATOM 1022 OD1 ASP A 128 67.096 19.774 -1.809 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.048 19.320 -2.301 1.00 0.00 O ATOM 0 H ASP A 128 68.053 17.607 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 128 68.577 17.939 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.118 17.133 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.198 16.941 -1.464 1.00 0.00 H new ATOM 1028 N ILE A 129 69.438 15.435 -3.009 1.00 0.00 N ATOM 1029 CA ILE A 129 69.867 14.040 -2.924 1.00 0.00 C ATOM 1030 C ILE A 129 70.646 13.786 -1.640 1.00 0.00 C ATOM 1031 O ILE A 129 70.675 14.638 -0.749 1.00 0.00 O ATOM 1032 CB ILE A 129 70.734 13.677 -4.131 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.955 14.607 -4.176 1.00 0.00 C ATOM 1034 CG2 ILE A 129 69.909 13.827 -5.409 1.00 0.00 C ATOM 1035 CD1 ILE A 129 72.956 14.115 -5.225 1.00 0.00 C ATOM 0 H ILE A 129 69.926 15.990 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 129 68.975 13.414 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 129 71.075 12.645 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.639 15.623 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.431 14.641 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.524 13.569 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.047 13.161 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.567 14.858 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.817 14.783 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.284 13.107 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.480 14.104 -6.205 1.00 0.00 H new ATOM 1047 N VAL A 130 71.266 12.602 -1.557 1.00 0.00 N ATOM 1048 CA VAL A 130 72.048 12.224 -0.385 1.00 0.00 C ATOM 1049 C VAL A 130 72.871 13.397 0.089 1.00 0.00 C ATOM 1050 O VAL A 130 73.815 13.802 -0.581 1.00 0.00 O ATOM 1051 CB VAL A 130 72.982 11.052 -0.704 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.467 11.149 -2.157 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.196 11.082 0.238 1.00 0.00 C ATOM 0 H VAL A 130 71.238 11.893 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 130 71.353 11.919 0.398 1.00 0.00 H new ATOM 0 HB VAL A 130 72.436 10.119 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.130 10.312 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.610 11.118 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.006 12.086 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 130 74.857 10.246 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.736 12.019 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.857 11.001 1.271 1.00 0.00 H new ATOM 1063 N GLU A 131 72.471 13.932 1.240 1.00 0.00 N ATOM 1064 CA GLU A 131 73.125 15.089 1.842 1.00 0.00 C ATOM 1065 C GLU A 131 72.251 15.715 2.907 1.00 0.00 C ATOM 1066 O GLU A 131 72.742 16.279 3.884 1.00 0.00 O ATOM 1067 CB GLU A 131 73.344 16.164 0.797 1.00 0.00 C ATOM 1068 CG GLU A 131 74.824 16.226 0.442 1.00 0.00 C ATOM 1069 CD GLU A 131 75.025 16.969 -0.874 1.00 0.00 C ATOM 1070 OE1 GLU A 131 74.243 17.863 -1.153 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.957 16.633 -1.585 1.00 0.00 O ATOM 0 H GLU A 131 71.684 13.575 1.781 1.00 0.00 H new ATOM 0 HA GLU A 131 74.065 14.737 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.753 15.948 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 131 73.008 17.129 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 131 75.375 16.728 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 131 75.228 15.217 0.362 1.00 0.00 H new ATOM 1078 N ASN A 132 70.950 15.667 2.674 1.00 0.00 N ATOM 1079 CA ASN A 132 70.013 16.290 3.584 1.00 0.00 C ATOM 1080 C ASN A 132 70.122 15.703 4.981 1.00 0.00 C ATOM 1081 O ASN A 132 70.101 16.441 5.967 1.00 0.00 O ATOM 1082 CB ASN A 132 68.594 16.120 3.056 1.00 0.00 C ATOM 1083 CG ASN A 132 68.233 14.642 3.022 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.724 14.100 4.003 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.483 13.954 1.944 1.00 0.00 N ATOM 0 H ASN A 132 70.525 15.207 1.869 1.00 0.00 H new ATOM 0 HA ASN A 132 70.255 17.351 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.892 16.661 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.514 16.547 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.257 12.960 1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.905 14.409 1.135 1.00 0.00 H new ATOM 1092 N TYR A 133 70.253 14.381 5.045 1.00 0.00 N ATOM 1093 CA TYR A 133 70.379 13.670 6.316 1.00 0.00 C ATOM 1094 C TYR A 133 69.487 14.293 7.388 1.00 0.00 C ATOM 1095 O TYR A 133 69.974 14.972 8.293 1.00 0.00 O ATOM 1096 CB TYR A 133 71.835 13.702 6.772 1.00 0.00 C ATOM 1097 CG TYR A 133 71.970 12.941 8.059 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.815 11.563 8.042 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.255 13.605 9.256 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.943 10.826 9.226 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.383 12.877 10.444 1.00 0.00 C ATOM 1102 CZ TYR A 133 72.228 11.485 10.430 1.00 0.00 C ATOM 1103 OH TYR A 133 72.356 10.764 11.600 1.00 0.00 O ATOM 0 H TYR A 133 70.275 13.775 4.225 1.00 0.00 H new ATOM 0 HA TYR A 133 70.059 12.639 6.168 1.00 0.00 H new ATOM 0 HB2 TYR A 133 72.477 13.263 6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 133 72.162 14.733 6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.595 11.057 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.376 14.678 9.264 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.822 9.753 9.211 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.601 13.388 11.370 1.00 0.00 H new ATOM 0 HH TYR A 133 72.555 11.375 12.340 1.00 0.00 H new ATOM 1113 N PHE A 134 68.181 14.076 7.272 1.00 0.00 N ATOM 1114 CA PHE A 134 67.241 14.644 8.232 1.00 0.00 C ATOM 1115 C PHE A 134 67.539 14.153 9.644 1.00 0.00 C ATOM 1116 O PHE A 134 67.642 14.949 10.576 1.00 0.00 O ATOM 1117 CB PHE A 134 65.813 14.256 7.849 1.00 0.00 C ATOM 1118 CG PHE A 134 64.850 14.790 8.875 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.427 16.112 8.789 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.381 13.967 9.906 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.531 16.627 9.732 1.00 0.00 C ATOM 1122 CE2 PHE A 134 63.484 14.477 10.854 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.059 15.809 10.767 1.00 0.00 C ATOM 0 H PHE A 134 67.753 13.518 6.533 1.00 0.00 H new ATOM 0 HA PHE A 134 67.347 15.729 8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.569 14.655 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.726 13.171 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 134 64.791 16.743 7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.710 12.940 9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 134 63.204 17.654 9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.121 13.844 11.650 1.00 0.00 H new ATOM 0 HZ PHE A 134 62.368 16.205 11.497 1.00 0.00 H new ATOM 1133 N MET A 135 67.675 12.840 9.799 1.00 0.00 N ATOM 1134 CA MET A 135 67.959 12.257 11.103 1.00 0.00 C ATOM 1135 C MET A 135 68.016 10.737 11.004 1.00 0.00 C ATOM 1136 O MET A 135 68.101 10.177 9.911 1.00 0.00 O ATOM 1137 CB MET A 135 66.877 12.659 12.102 1.00 0.00 C ATOM 1138 CG MET A 135 67.536 13.129 13.400 1.00 0.00 C ATOM 1139 SD MET A 135 66.274 13.779 14.522 1.00 0.00 S ATOM 1140 CE MET A 135 67.359 14.017 15.951 1.00 0.00 C ATOM 0 H MET A 135 67.593 12.163 9.041 1.00 0.00 H new ATOM 0 HA MET A 135 68.925 12.629 11.444 1.00 0.00 H new ATOM 0 HB2 MET A 135 66.259 13.455 11.686 1.00 0.00 H new ATOM 0 HB3 MET A 135 66.218 11.814 12.301 1.00 0.00 H new ATOM 0 HG2 MET A 135 68.064 12.301 13.872 1.00 0.00 H new ATOM 0 HG3 MET A 135 68.277 13.899 13.185 1.00 0.00 H new ATOM 0 HE1 MET A 135 66.782 14.420 16.783 1.00 0.00 H new ATOM 0 HE2 MET A 135 67.794 13.060 16.241 1.00 0.00 H new ATOM 0 HE3 MET A 135 68.156 14.714 15.691 1.00 0.00 H new ATOM 1150 N ARG A 136 67.962 10.079 12.155 1.00 0.00 N ATOM 1151 CA ARG A 136 68.000 8.626 12.199 1.00 0.00 C ATOM 1152 C ARG A 136 66.695 8.093 12.774 1.00 0.00 C ATOM 1153 O ARG A 136 66.542 7.960 13.988 1.00 0.00 O ATOM 1154 CB ARG A 136 69.170 8.167 13.062 1.00 0.00 C ATOM 1155 CG ARG A 136 70.469 8.679 12.449 1.00 0.00 C ATOM 1156 CD ARG A 136 71.652 8.034 13.159 1.00 0.00 C ATOM 1157 NE ARG A 136 71.658 8.402 14.572 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.541 7.887 15.431 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.446 7.030 15.027 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.505 8.240 16.687 1.00 0.00 N ATOM 0 H ARG A 136 67.892 10.529 13.068 1.00 0.00 H new ATOM 0 HA ARG A 136 68.128 8.241 11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 136 69.059 8.544 14.079 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.187 7.079 13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.498 8.446 11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 136 70.524 9.764 12.539 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.598 6.950 13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.583 8.351 12.690 1.00 0.00 H new ATOM 0 HE ARG A 136 70.968 9.072 14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.481 6.750 14.047 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.115 6.643 15.693 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.804 8.907 17.009 1.00 0.00 H new ATOM 0 HH22 ARG A 136 73.178 7.849 17.346 1.00 0.00 H new ATOM 1174 N ASP A 137 65.763 7.794 11.886 1.00 0.00 N ATOM 1175 CA ASP A 137 64.464 7.275 12.287 1.00 0.00 C ATOM 1176 C ASP A 137 64.623 5.952 13.027 1.00 0.00 C ATOM 1177 O ASP A 137 63.882 5.669 13.970 1.00 0.00 O ATOM 1178 CB ASP A 137 63.580 7.086 11.060 1.00 0.00 C ATOM 1179 CG ASP A 137 63.152 8.447 10.517 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.326 9.425 11.226 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.662 8.492 9.401 1.00 0.00 O ATOM 0 H ASP A 137 65.881 7.902 10.879 1.00 0.00 H new ATOM 0 HA ASP A 137 63.993 7.992 12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.121 6.532 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 137 62.702 6.496 11.321 1.00 0.00 H new ATOM 1186 N SER A 138 65.587 5.148 12.582 1.00 0.00 N ATOM 1187 CA SER A 138 65.850 3.847 13.190 1.00 0.00 C ATOM 1188 C SER A 138 65.814 3.940 14.715 1.00 0.00 C ATOM 1189 O SER A 138 66.446 4.814 15.308 1.00 0.00 O ATOM 1190 CB SER A 138 67.222 3.353 12.747 1.00 0.00 C ATOM 1191 OG SER A 138 67.550 3.940 11.494 1.00 0.00 O ATOM 0 H SER A 138 66.200 5.377 11.800 1.00 0.00 H new ATOM 0 HA SER A 138 65.077 3.150 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.973 3.614 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.221 2.266 12.663 1.00 0.00 H new ATOM 0 HG SER A 138 66.931 3.614 10.808 1.00 0.00 H new ATOM 1197 N GLY A 139 65.060 3.040 15.340 1.00 0.00 N ATOM 1198 CA GLY A 139 64.936 3.038 16.793 1.00 0.00 C ATOM 1199 C GLY A 139 66.083 2.277 17.450 1.00 0.00 C ATOM 1200 O GLY A 139 65.860 1.320 18.190 1.00 0.00 O ATOM 0 H GLY A 139 64.530 2.308 14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.922 4.064 17.160 1.00 0.00 H new ATOM 0 HA3 GLY A 139 63.987 2.585 17.078 1.00 0.00 H new ATOM 1204 N SER A 140 67.309 2.712 17.181 1.00 0.00 N ATOM 1205 CA SER A 140 68.480 2.063 17.761 1.00 0.00 C ATOM 1206 C SER A 140 68.443 0.559 17.508 1.00 0.00 C ATOM 1207 O SER A 140 68.824 -0.234 18.369 1.00 0.00 O ATOM 1208 CB SER A 140 68.527 2.329 19.265 1.00 0.00 C ATOM 1209 OG SER A 140 68.615 3.730 19.493 1.00 0.00 O ATOM 0 H SER A 140 67.517 3.503 16.572 1.00 0.00 H new ATOM 0 HA SER A 140 69.372 2.474 17.289 1.00 0.00 H new ATOM 0 HB2 SER A 140 67.635 1.926 19.745 1.00 0.00 H new ATOM 0 HB3 SER A 140 69.384 1.822 19.709 1.00 0.00 H new ATOM 0 HG SER A 140 68.644 3.903 20.457 1.00 0.00 H new ATOM 1215 N LYS A 141 67.978 0.174 16.325 1.00 0.00 N ATOM 1216 CA LYS A 141 67.892 -1.238 15.971 1.00 0.00 C ATOM 1217 C LYS A 141 69.282 -1.820 15.723 1.00 0.00 C ATOM 1218 O LYS A 141 70.091 -1.236 15.003 1.00 0.00 O ATOM 1219 CB LYS A 141 67.027 -1.411 14.718 1.00 0.00 C ATOM 1220 CG LYS A 141 66.930 -2.895 14.337 1.00 0.00 C ATOM 1221 CD LYS A 141 66.209 -3.674 15.441 1.00 0.00 C ATOM 1222 CE LYS A 141 65.994 -5.118 14.988 1.00 0.00 C ATOM 1223 NZ LYS A 141 65.302 -5.878 16.067 1.00 0.00 N ATOM 0 H LYS A 141 67.657 0.815 15.599 1.00 0.00 H new ATOM 0 HA LYS A 141 67.435 -1.773 16.803 1.00 0.00 H new ATOM 0 HB2 LYS A 141 66.030 -1.009 14.898 1.00 0.00 H new ATOM 0 HB3 LYS A 141 67.455 -0.844 13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 141 66.393 -3.002 13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 141 67.928 -3.305 14.184 1.00 0.00 H new ATOM 0 HD2 LYS A 141 66.797 -3.653 16.359 1.00 0.00 H new ATOM 0 HD3 LYS A 141 65.251 -3.205 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 141 65.400 -5.139 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 141 66.952 -5.584 14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 65.155 -6.861 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 65.885 -5.868 16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 64.382 -5.437 16.267 1.00 0.00 H new ATOM 1237 N ALA A 142 69.551 -2.975 16.323 1.00 0.00 N ATOM 1238 CA ALA A 142 70.842 -3.628 16.158 1.00 0.00 C ATOM 1239 C ALA A 142 70.696 -5.142 16.273 1.00 0.00 C ATOM 1240 O ALA A 142 69.817 -5.640 16.978 1.00 0.00 O ATOM 1241 CB ALA A 142 71.820 -3.125 17.219 1.00 0.00 C ATOM 0 H ALA A 142 68.896 -3.475 16.924 1.00 0.00 H new ATOM 0 HA ALA A 142 71.226 -3.387 15.167 1.00 0.00 H new ATOM 0 HB1 ALA A 142 72.783 -3.618 17.089 1.00 0.00 H new ATOM 0 HB2 ALA A 142 71.947 -2.047 17.115 1.00 0.00 H new ATOM 0 HB3 ALA A 142 71.428 -3.350 18.211 1.00 0.00 H new ATOM 1247 N ALA A 143 71.565 -5.871 15.579 1.00 0.00 N ATOM 1248 CA ALA A 143 71.524 -7.329 15.614 1.00 0.00 C ATOM 1249 C ALA A 143 72.900 -7.915 15.313 1.00 0.00 C ATOM 1250 O ALA A 143 73.693 -7.318 14.585 1.00 0.00 O ATOM 1251 CB ALA A 143 70.513 -7.846 14.588 1.00 0.00 C ATOM 0 H ALA A 143 72.300 -5.480 14.990 1.00 0.00 H new ATOM 0 HA ALA A 143 71.222 -7.640 16.614 1.00 0.00 H new ATOM 0 HB1 ALA A 143 70.487 -8.935 14.619 1.00 0.00 H new ATOM 0 HB2 ALA A 143 69.524 -7.453 14.822 1.00 0.00 H new ATOM 0 HB3 ALA A 143 70.807 -7.519 13.591 1.00 0.00 H new ATOM 1257 N THR A 144 73.173 -9.090 15.873 1.00 0.00 N ATOM 1258 CA THR A 144 74.455 -9.751 15.650 1.00 0.00 C ATOM 1259 C THR A 144 74.397 -10.656 14.421 1.00 0.00 C ATOM 1260 O THR A 144 75.432 -11.091 13.915 1.00 0.00 O ATOM 1261 CB THR A 144 74.834 -10.583 16.878 1.00 0.00 C ATOM 1262 OG1 THR A 144 73.858 -11.593 17.084 1.00 0.00 O ATOM 1263 CG2 THR A 144 74.906 -9.679 18.109 1.00 0.00 C ATOM 0 H THR A 144 72.530 -9.600 16.479 1.00 0.00 H new ATOM 0 HA THR A 144 75.208 -8.982 15.481 1.00 0.00 H new ATOM 0 HB THR A 144 75.807 -11.047 16.716 1.00 0.00 H new ATOM 0 HG1 THR A 144 74.101 -12.127 17.869 1.00 0.00 H new ATOM 0 HG21 THR A 144 75.176 -10.274 18.982 1.00 0.00 H new ATOM 0 HG22 THR A 144 75.658 -8.906 17.950 1.00 0.00 H new ATOM 0 HG23 THR A 144 73.935 -9.212 18.274 1.00 0.00 H new ATOM 1271 N ASP A 145 73.187 -10.939 13.941 1.00 0.00 N ATOM 1272 CA ASP A 145 73.022 -11.795 12.772 1.00 0.00 C ATOM 1273 C ASP A 145 72.572 -10.967 11.571 1.00 0.00 C ATOM 1274 O ASP A 145 71.390 -10.679 11.485 1.00 0.00 O ATOM 1275 CB ASP A 145 71.986 -12.882 13.066 1.00 0.00 C ATOM 1276 CG ASP A 145 71.919 -13.876 11.909 1.00 0.00 C ATOM 1277 OD1 ASP A 145 72.534 -13.612 10.888 1.00 0.00 O ATOM 1278 OD2 ASP A 145 71.255 -14.887 12.062 1.00 0.00 O ATOM 1279 OXT ASP A 145 73.416 -10.636 10.755 1.00 0.00 O ATOM 0 H ASP A 145 72.315 -10.591 14.340 1.00 0.00 H new ATOM 0 HA ASP A 145 73.979 -12.262 12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 145 72.247 -13.403 13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 145 71.007 -12.429 13.222 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.086 8.303 -5.993 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.657 0.645 1.163 1.00 0.00 ZN