USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 139 HIS : no HD1:sc= -8.1! C(o=-9!,f=-11!) USER MOD Set 1.2: A 182 THR OG1 : rot 180:sc= -0.875 USER MOD Set 2.1: A 145 THR OG1 : rot -25:sc= 0.544 USER MOD Set 2.2: A 161 ASN : amide:sc= -1.62 K(o=-1.1,f=-10!) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 144 LYS NZ :NH3+ 137:sc= -0.595 (180deg=-2.18!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.561 K(o=-0.56,f=-1.1) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.7!) USER MOD Single : A 167 THR OG1 : rot -160:sc= -0.792 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.41) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 MET CE :methyl -161:sc= -1.75 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 3.987 -17.451 -8.326 1.00 0.00 N ATOM 2 CA LEU A 136 2.617 -16.892 -8.149 1.00 0.00 C ATOM 3 C LEU A 136 2.710 -15.383 -7.916 1.00 0.00 C ATOM 4 O LEU A 136 3.773 -14.798 -8.023 1.00 0.00 O ATOM 5 CB LEU A 136 1.948 -17.561 -6.945 1.00 0.00 C ATOM 6 CG LEU A 136 1.287 -18.867 -7.392 1.00 0.00 C ATOM 7 CD1 LEU A 136 1.307 -19.873 -6.240 1.00 0.00 C ATOM 8 CD2 LEU A 136 -0.164 -18.591 -7.806 1.00 0.00 C ATOM 0 HA LEU A 136 2.024 -17.082 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.687 -17.761 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.203 -16.893 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 136 1.835 -19.278 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.836 -20.802 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.338 -20.071 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.761 -19.464 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -0.635 -19.521 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -0.712 -18.178 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -0.178 -17.877 -8.629 1.00 0.00 H new ATOM 22 N THR A 137 1.606 -14.750 -7.606 1.00 0.00 N ATOM 23 CA THR A 137 1.628 -13.276 -7.373 1.00 0.00 C ATOM 24 C THR A 137 0.582 -12.896 -6.323 1.00 0.00 C ATOM 25 O THR A 137 -0.563 -12.636 -6.641 1.00 0.00 O ATOM 26 CB THR A 137 1.321 -12.551 -8.685 1.00 0.00 C ATOM 27 OG1 THR A 137 2.155 -13.065 -9.715 1.00 0.00 O ATOM 28 CG2 THR A 137 1.582 -11.052 -8.516 1.00 0.00 C ATOM 0 H THR A 137 0.692 -15.191 -7.505 1.00 0.00 H new ATOM 0 HA THR A 137 2.615 -12.985 -7.014 1.00 0.00 H new ATOM 0 HB THR A 137 0.276 -12.708 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.958 -12.603 -10.556 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.363 -10.537 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 137 0.942 -10.658 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.627 -10.892 -8.250 1.00 0.00 H new ATOM 36 N THR A 138 0.972 -12.855 -5.075 1.00 0.00 N ATOM 37 CA THR A 138 0.016 -12.481 -3.993 1.00 0.00 C ATOM 38 C THR A 138 0.228 -10.988 -3.651 1.00 0.00 C ATOM 39 O THR A 138 0.271 -10.166 -4.548 1.00 0.00 O ATOM 40 CB THR A 138 0.262 -13.387 -2.777 1.00 0.00 C ATOM 41 OG1 THR A 138 1.580 -13.180 -2.293 1.00 0.00 O ATOM 42 CG2 THR A 138 0.089 -14.850 -3.189 1.00 0.00 C ATOM 0 H THR A 138 1.918 -13.066 -4.758 1.00 0.00 H new ATOM 0 HA THR A 138 -1.018 -12.619 -4.310 1.00 0.00 H new ATOM 0 HB THR A 138 -0.454 -13.146 -1.991 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.737 -13.756 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.263 -15.494 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 138 -0.924 -15.006 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 138 0.804 -15.094 -3.974 1.00 0.00 H new ATOM 50 N HIS A 139 0.361 -10.614 -2.390 1.00 0.00 N ATOM 51 CA HIS A 139 0.569 -9.172 -2.062 1.00 0.00 C ATOM 52 C HIS A 139 1.888 -8.995 -1.304 1.00 0.00 C ATOM 53 O HIS A 139 2.222 -9.755 -0.417 1.00 0.00 O ATOM 54 CB HIS A 139 -0.618 -8.652 -1.236 1.00 0.00 C ATOM 55 CG HIS A 139 -1.804 -8.493 -2.151 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.639 -8.253 -3.520 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.162 -8.602 -1.950 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.868 -8.254 -4.065 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.815 -8.458 -3.148 1.00 0.00 N ATOM 0 H HIS A 139 0.334 -11.244 -1.588 1.00 0.00 H new ATOM 0 HA HIS A 139 0.626 -8.592 -2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -0.852 -9.347 -0.430 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.367 -7.698 -0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.639 -8.774 -0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -3.065 -8.108 -5.117 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -4.822 -8.499 -3.306 1.00 0.00 H new ATOM 67 N ASN A 140 2.641 -7.993 -1.671 1.00 0.00 N ATOM 68 CA ASN A 140 3.958 -7.731 -1.017 1.00 0.00 C ATOM 69 C ASN A 140 3.917 -6.351 -0.368 1.00 0.00 C ATOM 70 O ASN A 140 3.214 -5.483 -0.827 1.00 0.00 O ATOM 71 CB ASN A 140 5.059 -7.758 -2.084 1.00 0.00 C ATOM 72 CG ASN A 140 6.275 -8.521 -1.554 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.863 -8.136 -0.563 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.677 -9.595 -2.176 1.00 0.00 N ATOM 0 H ASN A 140 2.395 -7.333 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 140 4.161 -8.490 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 140 4.687 -8.233 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 140 5.345 -6.741 -2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.485 -10.112 -1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.183 -9.918 -3.008 1.00 0.00 H new ATOM 81 N PHE A 141 4.652 -6.131 0.694 1.00 0.00 N ATOM 82 CA PHE A 141 4.604 -4.783 1.344 1.00 0.00 C ATOM 83 C PHE A 141 5.990 -4.382 1.842 1.00 0.00 C ATOM 84 O PHE A 141 6.457 -4.848 2.863 1.00 0.00 O ATOM 85 CB PHE A 141 3.620 -4.797 2.528 1.00 0.00 C ATOM 86 CG PHE A 141 2.439 -5.688 2.209 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.533 -5.324 1.210 1.00 0.00 C ATOM 88 CD2 PHE A 141 2.273 -6.893 2.898 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.468 -6.170 0.900 1.00 0.00 C ATOM 90 CE2 PHE A 141 1.198 -7.733 2.591 1.00 0.00 C ATOM 91 CZ PHE A 141 0.298 -7.372 1.592 1.00 0.00 C ATOM 0 H PHE A 141 5.272 -6.811 1.133 1.00 0.00 H new ATOM 0 HA PHE A 141 4.267 -4.058 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.124 -5.155 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.276 -3.784 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.657 -4.391 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.976 -7.175 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.228 -5.895 0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 141 1.066 -8.661 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.531 -8.021 1.352 1.00 0.00 H new ATOM 101 N ALA A 142 6.638 -3.501 1.128 1.00 0.00 N ATOM 102 CA ALA A 142 7.988 -3.030 1.544 1.00 0.00 C ATOM 103 C ALA A 142 7.955 -1.506 1.640 1.00 0.00 C ATOM 104 O ALA A 142 8.082 -0.813 0.651 1.00 0.00 O ATOM 105 CB ALA A 142 9.026 -3.461 0.507 1.00 0.00 C ATOM 0 H ALA A 142 6.285 -3.084 0.266 1.00 0.00 H new ATOM 0 HA ALA A 142 8.257 -3.461 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 142 10.013 -3.115 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 142 9.031 -4.548 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.775 -3.028 -0.461 1.00 0.00 H new ATOM 111 N ARG A 143 7.768 -0.980 2.827 1.00 0.00 N ATOM 112 CA ARG A 143 7.705 0.506 3.005 1.00 0.00 C ATOM 113 C ARG A 143 8.915 1.174 2.345 1.00 0.00 C ATOM 114 O ARG A 143 9.993 1.219 2.910 1.00 0.00 O ATOM 115 CB ARG A 143 7.711 0.843 4.497 1.00 0.00 C ATOM 116 CG ARG A 143 7.009 2.184 4.722 1.00 0.00 C ATOM 117 CD ARG A 143 6.977 2.502 6.219 1.00 0.00 C ATOM 118 NE ARG A 143 6.838 3.973 6.412 1.00 0.00 N ATOM 119 CZ ARG A 143 5.653 4.506 6.537 1.00 0.00 C ATOM 120 NH1 ARG A 143 4.808 4.455 5.544 1.00 0.00 N ATOM 121 NH2 ARG A 143 5.313 5.088 7.654 1.00 0.00 N ATOM 0 H ARG A 143 7.656 -1.519 3.685 1.00 0.00 H new ATOM 0 HA ARG A 143 6.790 0.873 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.206 0.058 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.736 0.891 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.532 2.974 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 143 5.994 2.146 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 143 6.145 1.982 6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 143 7.890 2.147 6.697 1.00 0.00 H new ATOM 0 HE ARG A 143 7.669 4.564 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 143 5.074 3.999 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 143 3.882 4.871 5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 143 5.973 5.127 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 143 4.387 5.504 7.751 1.00 0.00 H new ATOM 135 N LYS A 144 8.739 1.696 1.160 1.00 0.00 N ATOM 136 CA LYS A 144 9.871 2.370 0.463 1.00 0.00 C ATOM 137 C LYS A 144 9.316 3.506 -0.409 1.00 0.00 C ATOM 138 O LYS A 144 8.181 3.460 -0.850 1.00 0.00 O ATOM 139 CB LYS A 144 10.677 1.318 -0.355 1.00 0.00 C ATOM 140 CG LYS A 144 10.328 1.322 -1.858 1.00 0.00 C ATOM 141 CD LYS A 144 8.835 1.042 -2.052 1.00 0.00 C ATOM 142 CE LYS A 144 8.281 1.948 -3.158 1.00 0.00 C ATOM 143 NZ LYS A 144 8.767 1.476 -4.489 1.00 0.00 N ATOM 0 H LYS A 144 7.859 1.684 0.645 1.00 0.00 H new ATOM 0 HA LYS A 144 10.562 2.814 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.743 1.513 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.486 0.326 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 144 10.585 2.286 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 144 10.918 0.568 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.682 -0.005 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.298 1.218 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.191 1.941 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 144 8.597 2.978 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 7.985 1.502 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.536 2.095 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.120 0.501 -4.404 1.00 0.00 H new ATOM 157 N THR A 145 10.104 4.518 -0.654 1.00 0.00 N ATOM 158 CA THR A 145 9.625 5.656 -1.490 1.00 0.00 C ATOM 159 C THR A 145 9.720 5.274 -2.965 1.00 0.00 C ATOM 160 O THR A 145 10.452 4.375 -3.338 1.00 0.00 O ATOM 161 CB THR A 145 10.501 6.887 -1.238 1.00 0.00 C ATOM 162 OG1 THR A 145 11.010 6.849 0.090 1.00 0.00 O ATOM 163 CG2 THR A 145 9.671 8.158 -1.446 1.00 0.00 C ATOM 0 H THR A 145 11.060 4.606 -0.311 1.00 0.00 H new ATOM 0 HA THR A 145 8.591 5.883 -1.229 1.00 0.00 H new ATOM 0 HB THR A 145 11.337 6.888 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.412 6.316 0.655 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.295 9.033 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.295 8.184 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.831 8.162 -0.751 1.00 0.00 H new ATOM 171 N PHE A 146 8.993 5.958 -3.807 1.00 0.00 N ATOM 172 CA PHE A 146 9.040 5.651 -5.265 1.00 0.00 C ATOM 173 C PHE A 146 10.199 6.422 -5.901 1.00 0.00 C ATOM 174 O PHE A 146 10.846 7.226 -5.256 1.00 0.00 O ATOM 175 CB PHE A 146 7.723 6.080 -5.919 1.00 0.00 C ATOM 176 CG PHE A 146 6.577 5.334 -5.277 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.034 5.788 -4.069 1.00 0.00 C ATOM 178 CD2 PHE A 146 6.059 4.188 -5.892 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.974 5.096 -3.476 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.998 3.495 -5.297 1.00 0.00 C ATOM 181 CZ PHE A 146 4.455 3.949 -4.089 1.00 0.00 C ATOM 0 H PHE A 146 8.366 6.719 -3.546 1.00 0.00 H new ATOM 0 HA PHE A 146 9.185 4.581 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.581 7.155 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.752 5.874 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.434 6.672 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.477 3.839 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.555 5.446 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.598 2.610 -5.770 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.636 3.415 -3.630 1.00 0.00 H new ATOM 191 N LEU A 147 10.460 6.190 -7.162 1.00 0.00 N ATOM 192 CA LEU A 147 11.573 6.920 -7.848 1.00 0.00 C ATOM 193 C LEU A 147 10.993 7.949 -8.828 1.00 0.00 C ATOM 194 O LEU A 147 11.677 8.860 -9.253 1.00 0.00 O ATOM 195 CB LEU A 147 12.501 5.943 -8.601 1.00 0.00 C ATOM 196 CG LEU A 147 11.704 4.811 -9.267 1.00 0.00 C ATOM 197 CD1 LEU A 147 10.786 5.385 -10.348 1.00 0.00 C ATOM 198 CD2 LEU A 147 12.684 3.824 -9.908 1.00 0.00 C ATOM 0 H LEU A 147 9.952 5.527 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 147 12.164 7.432 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 147 13.066 6.486 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.226 5.519 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 147 11.098 4.304 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 147 10.224 4.576 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 147 10.093 6.095 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 147 11.386 5.893 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 147 12.128 3.016 -10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.284 4.341 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 147 13.339 3.411 -9.141 1.00 0.00 H new ATOM 210 N LYS A 148 9.736 7.818 -9.182 1.00 0.00 N ATOM 211 CA LYS A 148 9.107 8.790 -10.119 1.00 0.00 C ATOM 212 C LYS A 148 7.770 9.242 -9.534 1.00 0.00 C ATOM 213 O LYS A 148 7.374 8.805 -8.469 1.00 0.00 O ATOM 214 CB LYS A 148 8.873 8.119 -11.475 1.00 0.00 C ATOM 215 CG LYS A 148 10.117 8.284 -12.356 1.00 0.00 C ATOM 216 CD LYS A 148 9.692 8.600 -13.794 1.00 0.00 C ATOM 217 CE LYS A 148 10.922 8.997 -14.614 1.00 0.00 C ATOM 218 NZ LYS A 148 10.684 8.678 -16.050 1.00 0.00 N ATOM 0 H LYS A 148 9.119 7.073 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 148 9.762 9.650 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.653 7.061 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.007 8.562 -11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.746 9.085 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.713 7.372 -12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.209 7.731 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 148 8.962 9.409 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 148 11.124 10.062 -14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 148 11.801 8.464 -14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.519 8.947 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.511 7.658 -16.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 9.855 9.206 -16.390 1.00 0.00 H new ATOM 232 N LEU A 149 7.070 10.109 -10.221 1.00 0.00 N ATOM 233 CA LEU A 149 5.756 10.585 -9.702 1.00 0.00 C ATOM 234 C LEU A 149 4.767 9.418 -9.680 1.00 0.00 C ATOM 235 O LEU A 149 4.592 8.722 -10.663 1.00 0.00 O ATOM 236 CB LEU A 149 5.217 11.701 -10.606 1.00 0.00 C ATOM 237 CG LEU A 149 4.507 12.773 -9.767 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.343 12.149 -8.989 1.00 0.00 C ATOM 239 CD2 LEU A 149 5.496 13.408 -8.781 1.00 0.00 C ATOM 0 H LEU A 149 7.353 10.506 -11.117 1.00 0.00 H new ATOM 0 HA LEU A 149 5.883 10.973 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.036 12.152 -11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.524 11.283 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 149 4.121 13.541 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 149 2.847 12.918 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 149 2.630 11.713 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 149 3.723 11.371 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 149 4.984 14.167 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 149 5.893 12.639 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.315 13.869 -9.333 1.00 0.00 H new ATOM 251 N ALA A 150 4.118 9.203 -8.565 1.00 0.00 N ATOM 252 CA ALA A 150 3.136 8.084 -8.465 1.00 0.00 C ATOM 253 C ALA A 150 1.757 8.662 -8.154 1.00 0.00 C ATOM 254 O ALA A 150 1.579 9.863 -8.127 1.00 0.00 O ATOM 255 CB ALA A 150 3.556 7.130 -7.346 1.00 0.00 C ATOM 0 H ALA A 150 4.227 9.757 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 150 3.104 7.537 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.837 6.314 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.544 6.725 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.586 7.670 -6.400 1.00 0.00 H new ATOM 261 N PHE A 151 0.781 7.818 -7.923 1.00 0.00 N ATOM 262 CA PHE A 151 -0.591 8.320 -7.617 1.00 0.00 C ATOM 263 C PHE A 151 -1.373 7.257 -6.844 1.00 0.00 C ATOM 264 O PHE A 151 -1.474 6.120 -7.269 1.00 0.00 O ATOM 265 CB PHE A 151 -1.330 8.611 -8.922 1.00 0.00 C ATOM 266 CG PHE A 151 -0.910 9.945 -9.491 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.567 11.116 -9.090 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.128 10.013 -10.428 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.185 12.352 -9.623 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.509 11.249 -10.963 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.147 12.419 -10.561 1.00 0.00 C ATOM 0 H PHE A 151 0.877 6.803 -7.934 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.509 9.228 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.125 7.822 -9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.405 8.609 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.369 11.064 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.635 9.111 -10.738 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.690 13.254 -9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.309 11.300 -11.686 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.147 13.373 -10.974 1.00 0.00 H new ATOM 281 N CYS A 152 -1.933 7.617 -5.715 1.00 0.00 N ATOM 282 CA CYS A 152 -2.716 6.626 -4.917 1.00 0.00 C ATOM 283 C CYS A 152 -4.106 6.411 -5.533 1.00 0.00 C ATOM 284 O CYS A 152 -4.957 7.281 -5.486 1.00 0.00 O ATOM 285 CB CYS A 152 -2.891 7.134 -3.496 1.00 0.00 C ATOM 286 SG CYS A 152 -3.587 5.801 -2.498 1.00 0.00 S ATOM 0 H CYS A 152 -1.881 8.553 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.170 5.683 -4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.933 7.454 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.550 8.002 -3.482 1.00 0.00 H new ATOM 291 N ASP A 153 -4.342 5.248 -6.081 1.00 0.00 N ATOM 292 CA ASP A 153 -5.681 4.950 -6.689 1.00 0.00 C ATOM 293 C ASP A 153 -6.787 4.936 -5.611 1.00 0.00 C ATOM 294 O ASP A 153 -7.963 4.943 -5.925 1.00 0.00 O ATOM 295 CB ASP A 153 -5.620 3.578 -7.366 1.00 0.00 C ATOM 296 CG ASP A 153 -5.173 2.525 -6.347 1.00 0.00 C ATOM 297 OD1 ASP A 153 -3.975 2.332 -6.213 1.00 0.00 O ATOM 298 OD2 ASP A 153 -6.034 1.932 -5.720 1.00 0.00 O ATOM 0 H ASP A 153 -3.665 4.487 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.919 5.727 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -6.598 3.316 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -4.925 3.605 -8.205 1.00 0.00 H new ATOM 303 N ILE A 154 -6.423 4.902 -4.353 1.00 0.00 N ATOM 304 CA ILE A 154 -7.440 4.872 -3.249 1.00 0.00 C ATOM 305 C ILE A 154 -7.797 6.291 -2.828 1.00 0.00 C ATOM 306 O ILE A 154 -8.882 6.547 -2.340 1.00 0.00 O ATOM 307 CB ILE A 154 -6.810 4.149 -2.048 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.429 2.705 -2.490 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.745 4.180 -0.809 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.455 1.657 -2.026 1.00 0.00 C ATOM 0 H ILE A 154 -5.453 4.894 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.342 4.363 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.903 4.665 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.346 2.671 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.448 2.452 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.267 3.659 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.939 5.214 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.687 3.688 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.142 0.668 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.520 1.668 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.431 1.891 -2.450 1.00 0.00 H new ATOM 322 N CYS A 155 -6.873 7.200 -2.964 1.00 0.00 N ATOM 323 CA CYS A 155 -7.132 8.585 -2.517 1.00 0.00 C ATOM 324 C CYS A 155 -7.592 9.472 -3.676 1.00 0.00 C ATOM 325 O CYS A 155 -8.777 9.606 -3.901 1.00 0.00 O ATOM 326 CB CYS A 155 -5.864 9.104 -1.876 1.00 0.00 C ATOM 327 SG CYS A 155 -5.627 8.235 -0.304 1.00 0.00 S ATOM 0 H CYS A 155 -5.950 7.038 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.945 8.601 -1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.011 8.939 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.935 10.179 -1.709 1.00 0.00 H new ATOM 332 N GLN A 156 -6.683 10.073 -4.413 1.00 0.00 N ATOM 333 CA GLN A 156 -7.089 10.958 -5.565 1.00 0.00 C ATOM 334 C GLN A 156 -5.889 11.750 -6.109 1.00 0.00 C ATOM 335 O GLN A 156 -5.929 12.221 -7.231 1.00 0.00 O ATOM 336 CB GLN A 156 -8.179 11.962 -5.132 1.00 0.00 C ATOM 337 CG GLN A 156 -9.553 11.496 -5.635 1.00 0.00 C ATOM 338 CD GLN A 156 -10.599 11.687 -4.534 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.519 12.621 -3.759 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.583 10.837 -4.429 1.00 0.00 N ATOM 0 H GLN A 156 -5.677 9.991 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.478 10.304 -6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.192 12.051 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -7.953 12.951 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.837 12.062 -6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.507 10.447 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.651 10.053 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.284 10.956 -3.698 1.00 0.00 H new ATOM 349 N LYS A 157 -4.836 11.923 -5.342 1.00 0.00 N ATOM 350 CA LYS A 157 -3.676 12.707 -5.849 1.00 0.00 C ATOM 351 C LYS A 157 -2.439 11.823 -5.886 1.00 0.00 C ATOM 352 O LYS A 157 -2.505 10.632 -5.662 1.00 0.00 O ATOM 353 CB LYS A 157 -3.422 13.896 -4.921 1.00 0.00 C ATOM 354 CG LYS A 157 -4.700 14.727 -4.793 1.00 0.00 C ATOM 355 CD LYS A 157 -4.454 15.904 -3.847 1.00 0.00 C ATOM 356 CE LYS A 157 -4.012 17.129 -4.651 1.00 0.00 C ATOM 357 NZ LYS A 157 -4.643 18.352 -4.081 1.00 0.00 N ATOM 0 H LYS A 157 -4.735 11.556 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.894 13.067 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.105 13.543 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.613 14.512 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.008 15.093 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.513 14.107 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.363 16.131 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.689 15.642 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -2.926 17.222 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -4.297 17.013 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -4.343 19.184 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.678 18.262 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.349 18.464 -3.090 1.00 0.00 H new ATOM 371 N PHE A 158 -1.314 12.408 -6.183 1.00 0.00 N ATOM 372 CA PHE A 158 -0.031 11.650 -6.262 1.00 0.00 C ATOM 373 C PHE A 158 0.145 10.709 -5.047 1.00 0.00 C ATOM 374 O PHE A 158 -0.563 10.807 -4.063 1.00 0.00 O ATOM 375 CB PHE A 158 1.117 12.682 -6.279 1.00 0.00 C ATOM 376 CG PHE A 158 1.291 13.243 -4.884 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.354 14.140 -4.369 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.353 12.804 -4.091 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.484 14.610 -3.062 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.482 13.267 -2.782 1.00 0.00 C ATOM 381 CZ PHE A 158 1.547 14.172 -2.264 1.00 0.00 C ATOM 0 H PHE A 158 -1.226 13.405 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.028 11.033 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.042 12.212 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.893 13.484 -6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.471 14.470 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 158 3.074 12.106 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.235 15.312 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.303 12.928 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.646 14.531 -1.250 1.00 0.00 H new ATOM 391 N LEU A 159 1.121 9.846 -5.106 1.00 0.00 N ATOM 392 CA LEU A 159 1.408 8.942 -3.955 1.00 0.00 C ATOM 393 C LEU A 159 2.831 9.241 -3.471 1.00 0.00 C ATOM 394 O LEU A 159 3.702 9.580 -4.248 1.00 0.00 O ATOM 395 CB LEU A 159 1.304 7.477 -4.397 1.00 0.00 C ATOM 396 CG LEU A 159 1.696 6.547 -3.239 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.749 6.748 -2.049 1.00 0.00 C ATOM 398 CD2 LEU A 159 1.618 5.103 -3.718 1.00 0.00 C ATOM 0 H LEU A 159 1.738 9.727 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 159 0.688 9.108 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.287 7.258 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.956 7.300 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 159 2.711 6.779 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.039 6.082 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.806 7.782 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.273 6.523 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.895 4.434 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.601 4.881 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.303 4.959 -4.554 1.00 0.00 H new ATOM 410 N LEU A 160 3.059 9.128 -2.191 1.00 0.00 N ATOM 411 CA LEU A 160 4.405 9.411 -1.636 1.00 0.00 C ATOM 412 C LEU A 160 4.943 8.160 -0.935 1.00 0.00 C ATOM 413 O LEU A 160 4.356 7.099 -1.024 1.00 0.00 O ATOM 414 CB LEU A 160 4.338 10.596 -0.647 1.00 0.00 C ATOM 415 CG LEU A 160 3.091 10.585 0.273 1.00 0.00 C ATOM 416 CD1 LEU A 160 1.827 10.976 -0.506 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.907 9.211 0.939 1.00 0.00 C ATOM 0 H LEU A 160 2.360 8.849 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 160 5.079 9.681 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.234 10.588 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.350 11.528 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 160 3.253 11.326 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 160 0.967 10.960 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 160 1.948 11.978 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 160 1.667 10.268 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.025 9.232 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.780 8.448 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 160 3.786 8.977 1.540 1.00 0.00 H new ATOM 429 N ASN A 161 6.052 8.272 -0.236 1.00 0.00 N ATOM 430 CA ASN A 161 6.627 7.085 0.478 1.00 0.00 C ATOM 431 C ASN A 161 5.542 6.437 1.344 1.00 0.00 C ATOM 432 O ASN A 161 5.181 6.952 2.386 1.00 0.00 O ATOM 433 CB ASN A 161 7.786 7.543 1.375 1.00 0.00 C ATOM 434 CG ASN A 161 8.400 6.337 2.097 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.987 5.476 1.474 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.282 6.240 3.393 1.00 0.00 N ATOM 0 H ASN A 161 6.583 9.136 -0.130 1.00 0.00 H new ATOM 0 HA ASN A 161 6.992 6.362 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.546 8.043 0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.427 8.270 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.683 5.440 3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.789 6.964 3.916 1.00 0.00 H new ATOM 443 N GLY A 162 5.012 5.321 0.912 1.00 0.00 N ATOM 444 CA GLY A 162 3.938 4.657 1.707 1.00 0.00 C ATOM 445 C GLY A 162 4.128 3.143 1.701 1.00 0.00 C ATOM 446 O GLY A 162 4.986 2.611 2.382 1.00 0.00 O ATOM 0 H GLY A 162 5.275 4.844 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 162 3.954 5.028 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 162 2.962 4.909 1.292 1.00 0.00 H new ATOM 450 N PHE A 163 3.317 2.449 0.950 1.00 0.00 N ATOM 451 CA PHE A 163 3.418 0.966 0.901 1.00 0.00 C ATOM 452 C PHE A 163 2.851 0.453 -0.427 1.00 0.00 C ATOM 453 O PHE A 163 1.659 0.544 -0.672 1.00 0.00 O ATOM 454 CB PHE A 163 2.576 0.366 2.032 1.00 0.00 C ATOM 455 CG PHE A 163 3.368 0.289 3.313 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.200 -0.809 3.557 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.252 1.306 4.270 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.920 -0.889 4.753 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.970 1.224 5.468 1.00 0.00 C ATOM 460 CZ PHE A 163 4.804 0.126 5.710 1.00 0.00 C ATOM 0 H PHE A 163 2.584 2.850 0.365 1.00 0.00 H new ATOM 0 HA PHE A 163 4.465 0.679 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.684 0.973 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.238 -0.631 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.286 -1.595 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.608 2.153 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.566 -1.734 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.881 2.008 6.206 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.358 0.062 6.635 1.00 0.00 H new ATOM 470 N ARG A 164 3.680 -0.099 -1.278 1.00 0.00 N ATOM 471 CA ARG A 164 3.165 -0.645 -2.572 1.00 0.00 C ATOM 472 C ARG A 164 3.491 -2.129 -2.702 1.00 0.00 C ATOM 473 O ARG A 164 4.517 -2.602 -2.254 1.00 0.00 O ATOM 474 CB ARG A 164 3.763 0.068 -3.797 1.00 0.00 C ATOM 475 CG ARG A 164 5.243 0.448 -3.592 1.00 0.00 C ATOM 476 CD ARG A 164 6.131 -0.457 -4.453 1.00 0.00 C ATOM 477 NE ARG A 164 5.995 -0.069 -5.886 1.00 0.00 N ATOM 478 CZ ARG A 164 6.483 -0.839 -6.819 1.00 0.00 C ATOM 479 NH1 ARG A 164 5.804 -1.873 -7.234 1.00 0.00 N ATOM 480 NH2 ARG A 164 7.650 -0.572 -7.340 1.00 0.00 N ATOM 0 H ARG A 164 4.685 -0.195 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 164 2.088 -0.480 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 164 3.674 -0.579 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.186 0.968 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.401 1.492 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.513 0.346 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.171 -0.369 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 164 5.844 -1.500 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 164 5.520 0.798 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.891 -2.080 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 164 6.186 -2.475 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.179 0.238 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.032 -1.174 -8.070 1.00 0.00 H new ATOM 494 N CYS A 165 2.622 -2.850 -3.358 1.00 0.00 N ATOM 495 CA CYS A 165 2.845 -4.293 -3.587 1.00 0.00 C ATOM 496 C CYS A 165 3.656 -4.450 -4.865 1.00 0.00 C ATOM 497 O CYS A 165 3.228 -4.020 -5.926 1.00 0.00 O ATOM 498 CB CYS A 165 1.509 -4.993 -3.810 1.00 0.00 C ATOM 499 SG CYS A 165 0.693 -5.413 -2.257 1.00 0.00 S ATOM 0 H CYS A 165 1.753 -2.486 -3.749 1.00 0.00 H new ATOM 0 HA CYS A 165 3.357 -4.722 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 165 0.857 -4.348 -4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.669 -5.901 -4.392 1.00 0.00 H new ATOM 504 N GLN A 166 4.800 -5.077 -4.778 1.00 0.00 N ATOM 505 CA GLN A 166 5.636 -5.290 -5.990 1.00 0.00 C ATOM 506 C GLN A 166 5.170 -6.555 -6.733 1.00 0.00 C ATOM 507 O GLN A 166 5.794 -6.977 -7.689 1.00 0.00 O ATOM 508 CB GLN A 166 7.097 -5.454 -5.571 1.00 0.00 C ATOM 509 CG GLN A 166 7.776 -4.081 -5.537 1.00 0.00 C ATOM 510 CD GLN A 166 8.835 -4.055 -4.432 1.00 0.00 C ATOM 511 OE1 GLN A 166 8.788 -4.843 -3.506 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.796 -3.174 -4.489 1.00 0.00 N ATOM 0 H GLN A 166 5.191 -5.452 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 166 5.536 -4.430 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.154 -5.924 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.615 -6.111 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.238 -3.869 -6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 166 7.034 -3.302 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.836 -2.513 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.507 -3.146 -3.758 1.00 0.00 H new ATOM 521 N THR A 167 4.079 -7.159 -6.309 1.00 0.00 N ATOM 522 CA THR A 167 3.580 -8.382 -6.995 1.00 0.00 C ATOM 523 C THR A 167 2.226 -8.076 -7.632 1.00 0.00 C ATOM 524 O THR A 167 2.025 -8.321 -8.808 1.00 0.00 O ATOM 525 CB THR A 167 3.427 -9.528 -5.985 1.00 0.00 C ATOM 526 OG1 THR A 167 3.365 -9.000 -4.667 1.00 0.00 O ATOM 527 CG2 THR A 167 4.621 -10.478 -6.102 1.00 0.00 C ATOM 0 H THR A 167 3.518 -6.851 -5.515 1.00 0.00 H new ATOM 0 HA THR A 167 4.292 -8.684 -7.763 1.00 0.00 H new ATOM 0 HB THR A 167 2.508 -10.074 -6.197 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.585 -9.704 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.511 -11.291 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.662 -10.888 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.542 -9.933 -5.894 1.00 0.00 H new ATOM 535 N CYS A 168 1.296 -7.530 -6.876 1.00 0.00 N ATOM 536 CA CYS A 168 -0.028 -7.207 -7.475 1.00 0.00 C ATOM 537 C CYS A 168 0.076 -5.867 -8.217 1.00 0.00 C ATOM 538 O CYS A 168 -0.663 -5.621 -9.153 1.00 0.00 O ATOM 539 CB CYS A 168 -1.148 -7.213 -6.400 1.00 0.00 C ATOM 540 SG CYS A 168 -1.144 -5.719 -5.360 1.00 0.00 S ATOM 0 H CYS A 168 1.401 -7.300 -5.888 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.306 -7.976 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -2.116 -7.303 -6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -1.030 -8.091 -5.765 1.00 0.00 H new ATOM 545 N GLY A 169 1.002 -5.009 -7.832 1.00 0.00 N ATOM 546 CA GLY A 169 1.152 -3.712 -8.549 1.00 0.00 C ATOM 547 C GLY A 169 0.236 -2.680 -7.918 1.00 0.00 C ATOM 548 O GLY A 169 -0.512 -2.001 -8.599 1.00 0.00 O ATOM 0 H GLY A 169 1.650 -5.157 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 169 2.187 -3.374 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 169 0.907 -3.836 -9.604 1.00 0.00 H new ATOM 552 N TYR A 170 0.296 -2.550 -6.624 1.00 0.00 N ATOM 553 CA TYR A 170 -0.567 -1.546 -5.942 1.00 0.00 C ATOM 554 C TYR A 170 0.329 -0.510 -5.287 1.00 0.00 C ATOM 555 O TYR A 170 1.510 -0.727 -5.107 1.00 0.00 O ATOM 556 CB TYR A 170 -1.433 -2.228 -4.878 1.00 0.00 C ATOM 557 CG TYR A 170 -2.837 -2.425 -5.409 1.00 0.00 C ATOM 558 CD1 TYR A 170 -3.073 -3.317 -6.462 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.905 -1.721 -4.838 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.375 -3.505 -6.942 1.00 0.00 C ATOM 561 CE2 TYR A 170 -5.205 -1.906 -5.321 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.441 -2.801 -6.371 1.00 0.00 C ATOM 563 OH TYR A 170 -6.724 -2.991 -6.842 1.00 0.00 O ATOM 0 H TYR A 170 0.903 -3.093 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 170 -1.225 -1.070 -6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.999 -3.190 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.458 -1.621 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.251 -3.860 -6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -3.725 -1.035 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.557 -4.194 -7.754 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -6.027 -1.358 -4.884 1.00 0.00 H new ATOM 0 HH TYR A 170 -7.345 -2.427 -6.336 1.00 0.00 H new ATOM 573 N LYS A 171 -0.222 0.613 -4.937 1.00 0.00 N ATOM 574 CA LYS A 171 0.592 1.674 -4.298 1.00 0.00 C ATOM 575 C LYS A 171 -0.343 2.614 -3.544 1.00 0.00 C ATOM 576 O LYS A 171 -1.295 3.123 -4.108 1.00 0.00 O ATOM 577 CB LYS A 171 1.403 2.417 -5.386 1.00 0.00 C ATOM 578 CG LYS A 171 0.513 3.315 -6.265 1.00 0.00 C ATOM 579 CD LYS A 171 -0.487 2.459 -7.051 1.00 0.00 C ATOM 580 CE LYS A 171 -0.652 3.022 -8.462 1.00 0.00 C ATOM 581 NZ LYS A 171 0.307 2.345 -9.381 1.00 0.00 N ATOM 0 H LYS A 171 -1.207 0.842 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 171 1.301 1.251 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.173 3.025 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.915 1.689 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.021 4.032 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 171 1.131 3.890 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.138 1.428 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -1.450 2.446 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -1.674 2.870 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.473 4.097 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.196 2.727 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.279 2.512 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 0.116 1.323 -9.391 1.00 0.00 H new ATOM 595 N PHE A 172 -0.108 2.835 -2.271 1.00 0.00 N ATOM 596 CA PHE A 172 -1.030 3.735 -1.524 1.00 0.00 C ATOM 597 C PHE A 172 -0.510 4.074 -0.121 1.00 0.00 C ATOM 598 O PHE A 172 0.532 3.619 0.303 1.00 0.00 O ATOM 599 CB PHE A 172 -2.406 3.084 -1.424 1.00 0.00 C ATOM 600 CG PHE A 172 -2.307 1.622 -1.033 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.703 1.240 0.176 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.852 0.649 -1.875 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.646 -0.111 0.533 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.792 -0.700 -1.518 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.191 -1.082 -0.314 1.00 0.00 C ATOM 0 H PHE A 172 0.663 2.440 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.095 4.672 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.009 3.617 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.920 3.171 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.283 1.990 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -3.320 0.941 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.181 -0.405 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -3.211 -1.450 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 172 -2.148 -2.125 -0.039 1.00 0.00 H new ATOM 615 N HIS A 173 -1.237 4.911 0.581 1.00 0.00 N ATOM 616 CA HIS A 173 -0.812 5.354 1.952 1.00 0.00 C ATOM 617 C HIS A 173 -1.473 4.489 3.059 1.00 0.00 C ATOM 618 O HIS A 173 -1.857 3.359 2.830 1.00 0.00 O ATOM 619 CB HIS A 173 -1.200 6.831 2.165 1.00 0.00 C ATOM 620 CG HIS A 173 -1.343 7.562 0.881 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.552 7.616 0.180 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.461 8.331 0.199 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.326 8.426 -0.863 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.071 8.877 -0.889 1.00 0.00 N ATOM 0 H HIS A 173 -2.118 5.312 0.260 1.00 0.00 H new ATOM 0 HA HIS A 173 0.269 5.235 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.138 6.883 2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.442 7.320 2.777 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.571 8.488 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.074 8.684 -1.598 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.655 9.501 -1.580 1.00 0.00 H new ATOM 632 N GLU A 174 -1.582 5.019 4.271 1.00 0.00 N ATOM 633 CA GLU A 174 -2.185 4.252 5.414 1.00 0.00 C ATOM 634 C GLU A 174 -3.715 4.146 5.273 1.00 0.00 C ATOM 635 O GLU A 174 -4.321 3.216 5.770 1.00 0.00 O ATOM 636 CB GLU A 174 -1.849 4.963 6.728 1.00 0.00 C ATOM 637 CG GLU A 174 -0.370 4.756 7.058 1.00 0.00 C ATOM 638 CD GLU A 174 -0.162 3.347 7.618 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.662 3.081 8.699 1.00 0.00 O ATOM 640 OE2 GLU A 174 0.494 2.558 6.958 1.00 0.00 O ATOM 0 H GLU A 174 -1.273 5.961 4.511 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.770 3.244 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.068 6.027 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.470 4.573 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.236 4.896 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -0.041 5.499 7.784 1.00 0.00 H new ATOM 647 N HIS A 175 -4.338 5.068 4.579 1.00 0.00 N ATOM 648 CA HIS A 175 -5.831 5.004 4.376 1.00 0.00 C ATOM 649 C HIS A 175 -6.193 3.853 3.450 1.00 0.00 C ATOM 650 O HIS A 175 -7.344 3.690 3.086 1.00 0.00 O ATOM 651 CB HIS A 175 -6.284 6.265 3.633 1.00 0.00 C ATOM 652 CG HIS A 175 -6.444 7.408 4.600 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.626 7.550 5.732 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.316 8.466 4.629 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.038 8.661 6.368 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.062 9.245 5.730 1.00 0.00 N ATOM 0 H HIS A 175 -3.880 5.867 4.141 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.297 4.893 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.554 6.527 2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.228 6.076 3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.086 8.657 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.598 9.036 7.280 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.553 10.095 6.007 1.00 0.00 H new ATOM 664 N CYS A 176 -5.216 3.162 2.938 1.00 0.00 N ATOM 665 CA CYS A 176 -5.485 2.167 1.904 1.00 0.00 C ATOM 666 C CYS A 176 -4.892 0.811 2.283 1.00 0.00 C ATOM 667 O CYS A 176 -4.155 0.209 1.528 1.00 0.00 O ATOM 668 CB CYS A 176 -4.834 2.753 0.643 1.00 0.00 C ATOM 669 SG CYS A 176 -5.002 4.604 0.650 1.00 0.00 S ATOM 0 H CYS A 176 -4.236 3.256 3.204 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.549 1.979 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.781 2.474 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.307 2.339 -0.248 1.00 0.00 H new ATOM 674 N SER A 177 -5.236 0.319 3.446 1.00 0.00 N ATOM 675 CA SER A 177 -4.725 -1.007 3.890 1.00 0.00 C ATOM 676 C SER A 177 -5.867 -2.027 3.839 1.00 0.00 C ATOM 677 O SER A 177 -5.650 -3.201 3.605 1.00 0.00 O ATOM 678 CB SER A 177 -4.201 -0.901 5.322 1.00 0.00 C ATOM 679 OG SER A 177 -3.068 -0.043 5.348 1.00 0.00 O ATOM 0 H SER A 177 -5.854 0.785 4.110 1.00 0.00 H new ATOM 0 HA SER A 177 -3.916 -1.326 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 177 -4.980 -0.513 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.932 -1.889 5.696 1.00 0.00 H new ATOM 0 HG SER A 177 -2.732 0.027 6.266 1.00 0.00 H new ATOM 685 N THR A 178 -7.081 -1.584 4.058 1.00 0.00 N ATOM 686 CA THR A 178 -8.243 -2.523 4.027 1.00 0.00 C ATOM 687 C THR A 178 -9.068 -2.294 2.757 1.00 0.00 C ATOM 688 O THR A 178 -9.649 -3.215 2.214 1.00 0.00 O ATOM 689 CB THR A 178 -9.125 -2.283 5.255 1.00 0.00 C ATOM 690 OG1 THR A 178 -9.602 -0.945 5.241 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.308 -2.522 6.526 1.00 0.00 C ATOM 0 H THR A 178 -7.316 -0.612 4.257 1.00 0.00 H new ATOM 0 HA THR A 178 -7.873 -3.548 4.034 1.00 0.00 H new ATOM 0 HB THR A 178 -9.971 -2.970 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 178 -10.168 -0.791 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.936 -2.351 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.944 -3.549 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 178 -7.461 -1.836 6.548 1.00 0.00 H new ATOM 699 N LYS A 179 -9.124 -1.074 2.278 1.00 0.00 N ATOM 700 CA LYS A 179 -9.913 -0.783 1.041 1.00 0.00 C ATOM 701 C LYS A 179 -9.352 -1.596 -0.129 1.00 0.00 C ATOM 702 O LYS A 179 -10.072 -1.993 -1.025 1.00 0.00 O ATOM 703 CB LYS A 179 -9.819 0.710 0.720 1.00 0.00 C ATOM 704 CG LYS A 179 -11.020 1.130 -0.136 1.00 0.00 C ATOM 705 CD LYS A 179 -11.503 2.515 0.301 1.00 0.00 C ATOM 706 CE LYS A 179 -12.990 2.664 -0.026 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.627 3.581 0.961 1.00 0.00 N ATOM 0 H LYS A 179 -8.657 -0.267 2.691 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.956 -1.056 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.797 1.290 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.890 0.920 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.740 1.147 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.826 0.403 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.340 2.648 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.929 3.289 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.114 3.056 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.478 1.690 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.638 3.682 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -13.521 3.189 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.168 4.513 0.916 1.00 0.00 H new ATOM 721 N VAL A 180 -8.069 -1.855 -0.114 1.00 0.00 N ATOM 722 CA VAL A 180 -7.436 -2.654 -1.208 1.00 0.00 C ATOM 723 C VAL A 180 -8.087 -4.063 -1.225 1.00 0.00 C ATOM 724 O VAL A 180 -8.403 -4.584 -0.173 1.00 0.00 O ATOM 725 CB VAL A 180 -5.921 -2.722 -0.924 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.643 -3.577 0.312 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.174 -3.316 -2.117 1.00 0.00 C ATOM 0 H VAL A 180 -7.427 -1.545 0.616 1.00 0.00 H new ATOM 0 HA VAL A 180 -7.587 -2.202 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.571 -1.705 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.569 -3.613 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.145 -3.141 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.017 -4.588 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.107 -3.355 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.541 -4.324 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.340 -2.694 -2.996 1.00 0.00 H new ATOM 737 N PRO A 181 -8.303 -4.638 -2.400 1.00 0.00 N ATOM 738 CA PRO A 181 -8.952 -5.962 -2.503 1.00 0.00 C ATOM 739 C PRO A 181 -8.006 -7.104 -2.109 1.00 0.00 C ATOM 740 O PRO A 181 -6.803 -7.017 -2.247 1.00 0.00 O ATOM 741 CB PRO A 181 -9.353 -6.060 -3.978 1.00 0.00 C ATOM 742 CG PRO A 181 -8.444 -5.073 -4.745 1.00 0.00 C ATOM 743 CD PRO A 181 -7.932 -4.052 -3.713 1.00 0.00 C ATOM 0 HA PRO A 181 -9.799 -6.055 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -9.222 -7.077 -4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -10.404 -5.804 -4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -7.613 -5.598 -5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -8.998 -4.575 -5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -6.854 -3.910 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -8.394 -3.075 -3.857 1.00 0.00 H new ATOM 751 N THR A 182 -8.569 -8.180 -1.614 1.00 0.00 N ATOM 752 CA THR A 182 -7.756 -9.363 -1.190 1.00 0.00 C ATOM 753 C THR A 182 -6.827 -8.995 -0.021 1.00 0.00 C ATOM 754 O THR A 182 -5.932 -9.746 0.315 1.00 0.00 O ATOM 755 CB THR A 182 -6.920 -9.891 -2.369 1.00 0.00 C ATOM 756 OG1 THR A 182 -7.368 -9.304 -3.586 1.00 0.00 O ATOM 757 CG2 THR A 182 -7.062 -11.414 -2.465 1.00 0.00 C ATOM 0 H THR A 182 -9.575 -8.290 -1.484 1.00 0.00 H new ATOM 0 HA THR A 182 -8.443 -10.143 -0.861 1.00 0.00 H new ATOM 0 HB THR A 182 -5.875 -9.629 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 182 -6.830 -9.644 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 182 -6.468 -11.783 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 182 -6.710 -11.871 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.109 -11.673 -2.622 1.00 0.00 H new ATOM 765 N MET A 183 -7.042 -7.865 0.613 1.00 0.00 N ATOM 766 CA MET A 183 -6.184 -7.465 1.770 1.00 0.00 C ATOM 767 C MET A 183 -4.708 -7.390 1.361 1.00 0.00 C ATOM 768 O MET A 183 -4.061 -8.395 1.145 1.00 0.00 O ATOM 769 CB MET A 183 -6.348 -8.486 2.899 1.00 0.00 C ATOM 770 CG MET A 183 -5.721 -7.934 4.188 1.00 0.00 C ATOM 771 SD MET A 183 -6.783 -8.320 5.606 1.00 0.00 S ATOM 772 CE MET A 183 -5.799 -9.689 6.263 1.00 0.00 C ATOM 0 H MET A 183 -7.779 -7.201 0.376 1.00 0.00 H new ATOM 0 HA MET A 183 -6.498 -6.477 2.108 1.00 0.00 H new ATOM 0 HB2 MET A 183 -7.405 -8.700 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.871 -9.427 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.731 -8.367 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 183 -5.588 -6.855 4.105 1.00 0.00 H new ATOM 0 HE1 MET A 183 -6.416 -10.294 6.927 1.00 0.00 H new ATOM 0 HE2 MET A 183 -5.439 -10.306 5.440 1.00 0.00 H new ATOM 0 HE3 MET A 183 -4.949 -9.292 6.818 1.00 0.00 H new ATOM 782 N CYS A 184 -4.166 -6.202 1.308 1.00 0.00 N ATOM 783 CA CYS A 184 -2.732 -6.032 0.967 1.00 0.00 C ATOM 784 C CYS A 184 -2.019 -5.634 2.263 1.00 0.00 C ATOM 785 O CYS A 184 -1.361 -4.612 2.339 1.00 0.00 O ATOM 786 CB CYS A 184 -2.549 -4.924 -0.096 1.00 0.00 C ATOM 787 SG CYS A 184 -2.957 -5.531 -1.762 1.00 0.00 S ATOM 0 H CYS A 184 -4.668 -5.333 1.490 1.00 0.00 H new ATOM 0 HA CYS A 184 -2.323 -6.953 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -3.185 -4.073 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -1.519 -4.567 -0.079 1.00 0.00 H new ATOM 792 N VAL A 185 -2.150 -6.444 3.283 1.00 0.00 N ATOM 793 CA VAL A 185 -1.490 -6.142 4.586 1.00 0.00 C ATOM 794 C VAL A 185 -1.735 -7.308 5.555 1.00 0.00 C ATOM 795 O VAL A 185 -2.420 -7.172 6.552 1.00 0.00 O ATOM 796 CB VAL A 185 -2.071 -4.836 5.153 1.00 0.00 C ATOM 797 CG1 VAL A 185 -3.580 -4.985 5.396 1.00 0.00 C ATOM 798 CG2 VAL A 185 -1.361 -4.482 6.467 1.00 0.00 C ATOM 0 H VAL A 185 -2.691 -7.309 3.267 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.416 -6.019 4.448 1.00 0.00 H new ATOM 0 HB VAL A 185 -1.912 -4.035 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -3.978 -4.053 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -4.079 -5.217 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -3.756 -5.791 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -1.775 -3.556 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -1.508 -5.286 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -0.295 -4.352 6.281 1.00 0.00 H new ATOM 808 N ASP A 186 -1.179 -8.457 5.261 1.00 0.00 N ATOM 809 CA ASP A 186 -1.377 -9.638 6.155 1.00 0.00 C ATOM 810 C ASP A 186 -0.071 -10.428 6.269 1.00 0.00 C ATOM 811 O ASP A 186 0.320 -10.838 7.347 1.00 0.00 O ATOM 812 CB ASP A 186 -2.483 -10.536 5.589 1.00 0.00 C ATOM 813 CG ASP A 186 -2.127 -10.974 4.165 1.00 0.00 C ATOM 814 OD1 ASP A 186 -1.790 -10.115 3.368 1.00 0.00 O ATOM 815 OD2 ASP A 186 -2.204 -12.161 3.897 1.00 0.00 O ATOM 0 H ASP A 186 -0.597 -8.628 4.441 1.00 0.00 H new ATOM 0 HA ASP A 186 -1.670 -9.292 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -2.613 -11.411 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -3.432 -10.000 5.587 1.00 0.00 H new ATOM 820 N TRP A 187 0.605 -10.643 5.171 1.00 0.00 N ATOM 821 CA TRP A 187 1.891 -11.405 5.214 1.00 0.00 C ATOM 822 C TRP A 187 3.003 -10.573 4.569 1.00 0.00 C ATOM 823 O TRP A 187 2.844 -9.366 4.494 1.00 0.00 O ATOM 824 CB TRP A 187 1.751 -12.743 4.469 1.00 0.00 C ATOM 825 CG TRP A 187 1.009 -12.565 3.177 1.00 0.00 C ATOM 826 CD1 TRP A 187 1.249 -11.598 2.257 1.00 0.00 C ATOM 827 CD2 TRP A 187 -0.087 -13.368 2.647 1.00 0.00 C ATOM 828 NE1 TRP A 187 0.367 -11.757 1.202 1.00 0.00 N ATOM 829 CE2 TRP A 187 -0.475 -12.833 1.396 1.00 0.00 C ATOM 830 CE3 TRP A 187 -0.775 -14.495 3.127 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -1.509 -13.397 0.647 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -1.817 -15.067 2.376 1.00 0.00 C ATOM 833 CH2 TRP A 187 -2.183 -14.518 1.139 1.00 0.00 C ATOM 834 OXT TRP A 187 3.992 -11.159 4.163 1.00 0.00 O ATOM 0 H TRP A 187 0.323 -10.324 4.244 1.00 0.00 H new ATOM 0 HA TRP A 187 2.141 -11.609 6.255 1.00 0.00 H new ATOM 0 HB2 TRP A 187 2.739 -13.158 4.271 1.00 0.00 H new ATOM 0 HB3 TRP A 187 1.225 -13.460 5.099 1.00 0.00 H new ATOM 0 HD1 TRP A 187 2.004 -10.830 2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 187 0.342 -11.152 0.381 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -0.502 -14.925 4.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -1.786 -12.970 -0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -2.338 -15.934 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -2.985 -14.961 0.567 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.112 6.490 -0.393 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -1.248 -6.316 -3.124 1.00 0.00 ZN