USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.974 K(o=-0.97,f=-4.4!) USER MOD Set 2.1: A 87 ASN : amide:sc= -9.3! C(o=-18!,f=-19!) USER MOD Set 2.2: A 90 GLN : amide:sc= -8.58! C(o=-18!,f=-19!) USER MOD Set 3.1: A 84 THR OG1 : rot 179:sc= -1.6! USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 50 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.2!) USER MOD Set 4.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 3 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Set 5.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 60:sc= 1.19 USER MOD Single : A 8 SER OG : rot -61:sc= 1.16 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -114:sc= -0.094 (180deg=-0.3) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0024) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 159:sc= -1.84! USER MOD Single : A 34 ASN : amide:sc= -5.18! C(o=-5.2!,f=-9.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -4.33! C(o=-4.3!,f=-4.8!) USER MOD Single : A 46 THR OG1 : rot 120:sc= 0.133 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.568 USER MOD Single : A 63 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 65:sc= 0.955 USER MOD Single : A 71 THR OG1 : rot -179:sc= 0.707 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-6.2!) USER MOD Single : A 83 SER OG : rot -177:sc= -0.991 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 96:sc= 0.482 USER MOD Single : A 98 THR OG1 : rot 13:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 47.319 1.328 -38.883 1.00 0.00 N ATOM 32 CA HIS A 3 46.383 0.932 -37.838 1.00 0.00 C ATOM 33 C HIS A 3 46.662 1.687 -36.543 1.00 0.00 C ATOM 34 O HIS A 3 47.780 2.150 -36.311 1.00 0.00 O ATOM 35 CB HIS A 3 46.476 -0.574 -37.595 1.00 0.00 C ATOM 36 CG HIS A 3 45.606 -1.384 -38.505 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.832 -1.495 -39.861 1.00 0.00 N ATOM 38 CD2 HIS A 3 44.504 -2.129 -38.247 1.00 0.00 C ATOM 39 CE1 HIS A 3 44.909 -2.273 -40.397 1.00 0.00 C ATOM 40 NE2 HIS A 3 44.092 -2.671 -39.439 1.00 0.00 N ATOM 0 HA HIS A 3 45.375 1.181 -38.170 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.512 -0.890 -37.720 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.201 -0.784 -36.561 1.00 0.00 H new ATOM 0 HD2 HIS A 3 44.037 -2.270 -37.283 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.835 -2.538 -41.441 1.00 0.00 H new ATOM 0 HE2 HIS A 3 43.285 -3.282 -39.564 1.00 0.00 H new ATOM 49 N CYS A 4 45.642 1.806 -35.698 1.00 0.00 N ATOM 50 CA CYS A 4 45.787 2.502 -34.424 1.00 0.00 C ATOM 51 C CYS A 4 45.612 1.535 -33.258 1.00 0.00 C ATOM 52 O CYS A 4 44.672 0.743 -33.231 1.00 0.00 O ATOM 53 CB CYS A 4 44.773 3.645 -34.320 1.00 0.00 C ATOM 54 SG CYS A 4 43.235 3.363 -35.259 1.00 0.00 S ATOM 0 H CYS A 4 44.709 1.431 -35.872 1.00 0.00 H new ATOM 0 HA CYS A 4 46.792 2.921 -34.377 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.522 3.800 -33.271 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.240 4.564 -34.675 1.00 0.00 H new ATOM 59 N VAL A 5 46.529 1.601 -32.300 1.00 0.00 N ATOM 60 CA VAL A 5 46.481 0.726 -31.135 1.00 0.00 C ATOM 61 C VAL A 5 46.328 1.526 -29.847 1.00 0.00 C ATOM 62 O VAL A 5 46.909 2.601 -29.697 1.00 0.00 O ATOM 63 CB VAL A 5 47.748 -0.145 -31.040 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.653 -1.104 -29.863 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.969 -0.904 -32.341 1.00 0.00 C ATOM 0 H VAL A 5 47.315 2.251 -32.307 1.00 0.00 H new ATOM 0 HA VAL A 5 45.611 0.081 -31.259 1.00 0.00 H new ATOM 0 HB VAL A 5 48.605 0.508 -30.875 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.558 -1.710 -29.814 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.546 -0.536 -28.939 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.788 -1.754 -29.992 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.868 -1.515 -32.258 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.111 -1.547 -32.538 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.087 -0.195 -33.160 1.00 0.00 H new ATOM 75 N THR A 6 45.543 0.991 -28.917 1.00 0.00 N ATOM 76 CA THR A 6 45.312 1.651 -27.638 1.00 0.00 C ATOM 77 C THR A 6 46.260 1.118 -26.571 1.00 0.00 C ATOM 78 O THR A 6 45.897 0.242 -25.786 1.00 0.00 O ATOM 79 CB THR A 6 43.861 1.458 -27.159 1.00 0.00 C ATOM 80 OG1 THR A 6 43.637 0.087 -26.807 1.00 0.00 O ATOM 81 CG2 THR A 6 42.876 1.876 -28.242 1.00 0.00 C ATOM 0 H THR A 6 45.056 0.101 -29.026 1.00 0.00 H new ATOM 0 HA THR A 6 45.497 2.714 -27.791 1.00 0.00 H new ATOM 0 HB THR A 6 43.704 2.086 -26.282 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.248 -0.169 -26.085 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.857 1.731 -27.883 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.029 2.927 -28.487 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.036 1.269 -29.133 1.00 0.00 H new ATOM 89 N ASP A 7 47.477 1.652 -26.546 1.00 0.00 N ATOM 90 CA ASP A 7 48.480 1.229 -25.573 1.00 0.00 C ATOM 91 C ASP A 7 48.924 -0.204 -25.837 1.00 0.00 C ATOM 92 O ASP A 7 50.105 -0.467 -26.068 1.00 0.00 O ATOM 93 CB ASP A 7 47.930 1.354 -24.151 1.00 0.00 C ATOM 94 CG ASP A 7 48.856 0.743 -23.118 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.054 1.100 -23.109 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.385 -0.091 -22.317 1.00 0.00 O ATOM 0 H ASP A 7 47.793 2.379 -27.188 1.00 0.00 H new ATOM 0 HA ASP A 7 49.346 1.882 -25.676 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.772 2.407 -23.916 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.957 0.866 -24.096 1.00 0.00 H new ATOM 101 N SER A 8 47.973 -1.126 -25.799 1.00 0.00 N ATOM 102 CA SER A 8 48.263 -2.536 -26.032 1.00 0.00 C ATOM 103 C SER A 8 47.083 -3.412 -25.626 1.00 0.00 C ATOM 104 O SER A 8 47.244 -4.388 -24.893 1.00 0.00 O ATOM 105 CB SER A 8 49.513 -2.953 -25.255 1.00 0.00 C ATOM 106 OG SER A 8 49.649 -4.363 -25.225 1.00 0.00 O ATOM 0 H SER A 8 46.992 -0.924 -25.609 1.00 0.00 H new ATOM 0 HA SER A 8 48.441 -2.673 -27.099 1.00 0.00 H new ATOM 0 HB2 SER A 8 50.396 -2.509 -25.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.457 -2.568 -24.237 1.00 0.00 H new ATOM 0 HG SER A 8 48.876 -4.757 -24.770 1.00 0.00 H new ATOM 112 N GLY A 9 45.896 -3.056 -26.106 1.00 0.00 N ATOM 113 CA GLY A 9 44.707 -3.821 -25.780 1.00 0.00 C ATOM 114 C GLY A 9 43.895 -4.186 -27.007 1.00 0.00 C ATOM 115 O GLY A 9 43.380 -5.300 -27.111 1.00 0.00 O ATOM 0 H GLY A 9 45.736 -2.253 -26.714 1.00 0.00 H new ATOM 0 HA2 GLY A 9 44.998 -4.732 -25.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.085 -3.245 -25.095 1.00 0.00 H new ATOM 119 N VAL A 10 43.782 -3.245 -27.936 1.00 0.00 N ATOM 120 CA VAL A 10 43.028 -3.470 -29.162 1.00 0.00 C ATOM 121 C VAL A 10 43.836 -3.048 -30.385 1.00 0.00 C ATOM 122 O VAL A 10 44.937 -2.514 -30.258 1.00 0.00 O ATOM 123 CB VAL A 10 41.694 -2.701 -29.149 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.654 -3.421 -29.994 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.200 -2.518 -27.723 1.00 0.00 C ATOM 0 H VAL A 10 44.203 -2.319 -27.863 1.00 0.00 H new ATOM 0 HA VAL A 10 42.820 -4.539 -29.217 1.00 0.00 H new ATOM 0 HB VAL A 10 41.859 -1.714 -29.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.718 -2.863 -29.973 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.009 -3.496 -31.022 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.489 -4.421 -29.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.256 -1.973 -27.732 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.051 -3.494 -27.262 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.938 -1.956 -27.151 1.00 0.00 H new ATOM 135 N VAL A 11 43.284 -3.295 -31.569 1.00 0.00 N ATOM 136 CA VAL A 11 43.957 -2.942 -32.812 1.00 0.00 C ATOM 137 C VAL A 11 43.040 -2.148 -33.733 1.00 0.00 C ATOM 138 O VAL A 11 42.506 -2.681 -34.707 1.00 0.00 O ATOM 139 CB VAL A 11 44.454 -4.193 -33.558 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.127 -3.799 -34.863 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.401 -4.997 -32.681 1.00 0.00 C ATOM 0 H VAL A 11 42.373 -3.738 -31.693 1.00 0.00 H new ATOM 0 HA VAL A 11 44.813 -2.325 -32.539 1.00 0.00 H new ATOM 0 HB VAL A 11 43.595 -4.822 -33.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.473 -4.695 -35.379 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.414 -3.269 -35.495 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.977 -3.150 -34.653 1.00 0.00 H new ATOM 0 HG21 VAL A 11 45.742 -5.878 -33.225 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.260 -4.381 -32.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.881 -5.309 -31.775 1.00 0.00 H new ATOM 151 N TYR A 12 42.871 -0.869 -33.426 1.00 0.00 N ATOM 152 CA TYR A 12 42.028 0.007 -34.229 1.00 0.00 C ATOM 153 C TYR A 12 42.635 0.205 -35.615 1.00 0.00 C ATOM 154 O TYR A 12 43.640 -0.418 -35.955 1.00 0.00 O ATOM 155 CB TYR A 12 41.857 1.360 -33.534 1.00 0.00 C ATOM 156 CG TYR A 12 41.010 1.299 -32.285 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.589 0.082 -31.764 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.628 2.462 -31.630 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.811 0.026 -30.623 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.850 2.414 -30.487 1.00 0.00 C ATOM 161 CZ TYR A 12 39.444 1.194 -29.988 1.00 0.00 C ATOM 162 OH TYR A 12 38.670 1.142 -28.852 1.00 0.00 O ATOM 0 H TYR A 12 43.308 -0.414 -32.624 1.00 0.00 H new ATOM 0 HA TYR A 12 41.049 -0.460 -34.339 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.841 1.753 -33.276 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.406 2.063 -34.234 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.874 -0.835 -32.258 1.00 0.00 H new ATOM 0 HD2 TYR A 12 40.943 3.419 -32.019 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.492 -0.928 -30.230 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.562 3.327 -29.988 1.00 0.00 H new ATOM 0 HH TYR A 12 38.502 2.052 -28.529 1.00 0.00 H new ATOM 172 N SER A 13 42.021 1.075 -36.411 1.00 0.00 N ATOM 173 CA SER A 13 42.512 1.348 -37.756 1.00 0.00 C ATOM 174 C SER A 13 42.386 2.830 -38.096 1.00 0.00 C ATOM 175 O SER A 13 41.557 3.541 -37.528 1.00 0.00 O ATOM 176 CB SER A 13 41.745 0.514 -38.782 1.00 0.00 C ATOM 177 OG SER A 13 42.601 0.071 -39.822 1.00 0.00 O ATOM 0 H SER A 13 41.187 1.600 -36.149 1.00 0.00 H new ATOM 0 HA SER A 13 43.567 1.075 -37.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.291 -0.346 -38.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.933 1.107 -39.203 1.00 0.00 H new ATOM 0 HG SER A 13 42.087 -0.462 -40.464 1.00 0.00 H new ATOM 183 N VAL A 14 43.216 3.285 -39.028 1.00 0.00 N ATOM 184 CA VAL A 14 43.204 4.680 -39.450 1.00 0.00 C ATOM 185 C VAL A 14 41.787 5.153 -39.762 1.00 0.00 C ATOM 186 O VAL A 14 41.342 5.101 -40.909 1.00 0.00 O ATOM 187 CB VAL A 14 44.094 4.892 -40.691 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.874 3.777 -41.702 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.830 6.253 -41.322 1.00 0.00 C ATOM 0 H VAL A 14 43.907 2.707 -39.506 1.00 0.00 H new ATOM 0 HA VAL A 14 43.599 5.267 -38.621 1.00 0.00 H new ATOM 0 HB VAL A 14 45.136 4.865 -40.372 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.510 3.943 -42.571 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.124 2.819 -41.247 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.829 3.769 -42.013 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.470 6.379 -42.196 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.785 6.317 -41.625 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.046 7.038 -40.597 1.00 0.00 H new ATOM 199 N GLY A 15 41.085 5.618 -38.733 1.00 0.00 N ATOM 200 CA GLY A 15 39.728 6.098 -38.918 1.00 0.00 C ATOM 201 C GLY A 15 38.713 5.299 -38.125 1.00 0.00 C ATOM 202 O GLY A 15 37.708 4.843 -38.670 1.00 0.00 O ATOM 0 H GLY A 15 41.432 5.671 -37.775 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.673 7.145 -38.620 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.472 6.054 -39.977 1.00 0.00 H new ATOM 206 N MET A 16 38.979 5.131 -36.837 1.00 0.00 N ATOM 207 CA MET A 16 38.082 4.382 -35.964 1.00 0.00 C ATOM 208 C MET A 16 37.695 5.210 -34.742 1.00 0.00 C ATOM 209 O MET A 16 37.644 4.692 -33.628 1.00 0.00 O ATOM 210 CB MET A 16 38.741 3.076 -35.520 1.00 0.00 C ATOM 211 CG MET A 16 38.284 1.865 -36.315 1.00 0.00 C ATOM 212 SD MET A 16 37.019 0.909 -35.456 1.00 0.00 S ATOM 213 CE MET A 16 37.987 0.168 -34.144 1.00 0.00 C ATOM 0 H MET A 16 39.808 5.502 -36.373 1.00 0.00 H new ATOM 0 HA MET A 16 37.177 4.152 -36.527 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.823 3.174 -35.613 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.525 2.910 -34.464 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.894 2.193 -37.279 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.142 1.224 -36.520 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.025 -0.912 -34.285 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.999 0.572 -34.166 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.527 0.392 -33.181 1.00 0.00 H new ATOM 223 N GLN A 17 37.428 6.499 -34.973 1.00 0.00 N ATOM 224 CA GLN A 17 37.046 7.432 -33.909 1.00 0.00 C ATOM 225 C GLN A 17 36.487 6.708 -32.687 1.00 0.00 C ATOM 226 O GLN A 17 35.663 5.801 -32.812 1.00 0.00 O ATOM 227 CB GLN A 17 36.011 8.428 -34.434 1.00 0.00 C ATOM 228 CG GLN A 17 36.622 9.646 -35.106 1.00 0.00 C ATOM 229 CD GLN A 17 35.587 10.698 -35.456 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.756 10.498 -36.343 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.631 11.827 -34.758 1.00 0.00 N ATOM 0 H GLN A 17 37.470 6.924 -35.899 1.00 0.00 H new ATOM 0 HA GLN A 17 37.947 7.961 -33.600 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.359 7.920 -35.145 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.384 8.757 -33.606 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.371 10.084 -34.446 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.140 9.335 -36.013 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.337 11.950 -34.032 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.959 12.571 -34.948 1.00 0.00 H new ATOM 240 N TRP A 18 36.939 7.118 -31.505 1.00 0.00 N ATOM 241 CA TRP A 18 36.482 6.512 -30.259 1.00 0.00 C ATOM 242 C TRP A 18 36.613 7.488 -29.093 1.00 0.00 C ATOM 243 O TRP A 18 36.970 8.652 -29.279 1.00 0.00 O ATOM 244 CB TRP A 18 37.269 5.235 -29.965 1.00 0.00 C ATOM 245 CG TRP A 18 38.681 5.485 -29.533 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.134 5.635 -28.255 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.828 5.611 -30.384 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.493 5.841 -28.257 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.941 5.831 -29.552 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.018 5.555 -31.765 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.228 5.995 -30.063 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.293 5.719 -32.269 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.384 5.936 -31.421 1.00 0.00 C ATOM 0 H TRP A 18 37.621 7.867 -31.384 1.00 0.00 H new ATOM 0 HA TRP A 18 35.428 6.259 -30.377 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.754 4.672 -29.186 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.277 4.610 -30.858 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.515 5.597 -27.371 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.073 5.979 -27.430 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.182 5.386 -32.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.072 6.163 -29.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.451 5.679 -33.337 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.369 6.059 -31.847 1.00 0.00 H new ATOM 264 N LEU A 19 36.319 7.005 -27.890 1.00 0.00 N ATOM 265 CA LEU A 19 36.399 7.832 -26.691 1.00 0.00 C ATOM 266 C LEU A 19 36.985 7.045 -25.524 1.00 0.00 C ATOM 267 O LEU A 19 36.498 5.968 -25.181 1.00 0.00 O ATOM 268 CB LEU A 19 35.012 8.359 -26.320 1.00 0.00 C ATOM 269 CG LEU A 19 34.994 9.425 -25.223 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.904 10.816 -25.833 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.834 9.185 -24.269 1.00 0.00 C ATOM 0 H LEU A 19 36.023 6.044 -27.719 1.00 0.00 H new ATOM 0 HA LEU A 19 37.058 8.674 -26.903 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.547 8.773 -27.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.395 7.519 -25.999 1.00 0.00 H new ATOM 0 HG LEU A 19 35.924 9.357 -24.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.892 11.562 -25.038 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.766 10.987 -26.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.989 10.897 -26.420 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.835 9.952 -23.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.895 9.228 -24.820 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.940 8.203 -23.808 1.00 0.00 H new ATOM 283 N LYS A 20 38.033 7.590 -24.917 1.00 0.00 N ATOM 284 CA LYS A 20 38.688 6.938 -23.788 1.00 0.00 C ATOM 285 C LYS A 20 38.329 7.626 -22.473 1.00 0.00 C ATOM 286 O LYS A 20 37.595 8.614 -22.456 1.00 0.00 O ATOM 287 CB LYS A 20 40.204 6.939 -23.981 1.00 0.00 C ATOM 288 CG LYS A 20 40.770 8.302 -24.349 1.00 0.00 C ATOM 289 CD LYS A 20 42.290 8.296 -24.337 1.00 0.00 C ATOM 290 CE LYS A 20 42.835 8.217 -22.919 1.00 0.00 C ATOM 291 NZ LYS A 20 43.464 6.897 -22.638 1.00 0.00 N ATOM 0 H LYS A 20 38.448 8.482 -25.187 1.00 0.00 H new ATOM 0 HA LYS A 20 38.335 5.908 -23.743 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.679 6.593 -23.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.463 6.224 -24.762 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.414 8.590 -25.338 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.403 9.051 -23.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.656 7.449 -24.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.662 9.199 -24.822 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.569 9.008 -22.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.027 8.392 -22.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.792 6.872 -21.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.767 6.141 -22.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.273 6.755 -23.276 1.00 0.00 H new ATOM 379 N GLN A 26 36.613 11.963 -18.790 1.00 0.00 N ATOM 380 CA GLN A 26 36.487 11.326 -20.095 1.00 0.00 C ATOM 381 C GLN A 26 37.247 12.110 -21.161 1.00 0.00 C ATOM 382 O GLN A 26 37.365 13.332 -21.082 1.00 0.00 O ATOM 383 CB GLN A 26 35.013 11.207 -20.488 1.00 0.00 C ATOM 384 CG GLN A 26 34.101 12.149 -19.720 1.00 0.00 C ATOM 385 CD GLN A 26 32.691 12.173 -20.273 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.050 11.133 -20.418 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.199 13.367 -20.588 1.00 0.00 N ATOM 0 HA GLN A 26 36.920 10.328 -20.026 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.913 11.407 -21.555 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.683 10.181 -20.324 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.072 11.847 -18.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.517 13.156 -19.750 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.765 14.204 -20.451 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.255 13.446 -20.966 1.00 0.00 H new ATOM 396 N MET A 27 37.760 11.394 -22.154 1.00 0.00 N ATOM 397 CA MET A 27 38.510 12.014 -23.239 1.00 0.00 C ATOM 398 C MET A 27 38.245 11.293 -24.555 1.00 0.00 C ATOM 399 O MET A 27 38.158 10.066 -24.594 1.00 0.00 O ATOM 400 CB MET A 27 40.007 11.996 -22.924 1.00 0.00 C ATOM 401 CG MET A 27 40.717 13.288 -23.283 1.00 0.00 C ATOM 402 SD MET A 27 42.395 13.016 -23.884 1.00 0.00 S ATOM 403 CE MET A 27 43.201 12.442 -22.391 1.00 0.00 C ATOM 0 H MET A 27 37.670 10.381 -22.230 1.00 0.00 H new ATOM 0 HA MET A 27 38.181 13.048 -23.338 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.144 11.799 -21.861 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.474 11.172 -23.464 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.143 13.813 -24.046 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.750 13.935 -22.407 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.249 12.231 -22.602 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.133 13.211 -21.622 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.712 11.534 -22.040 1.00 0.00 H new ATOM 413 N LEU A 28 38.118 12.060 -25.634 1.00 0.00 N ATOM 414 CA LEU A 28 37.863 11.483 -26.947 1.00 0.00 C ATOM 415 C LEU A 28 39.161 11.321 -27.725 1.00 0.00 C ATOM 416 O LEU A 28 39.916 12.279 -27.894 1.00 0.00 O ATOM 417 CB LEU A 28 36.892 12.360 -27.739 1.00 0.00 C ATOM 418 CG LEU A 28 36.607 11.878 -29.161 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.173 11.390 -29.280 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.882 12.988 -30.165 1.00 0.00 C ATOM 0 H LEU A 28 38.187 13.078 -25.624 1.00 0.00 H new ATOM 0 HA LEU A 28 37.415 10.500 -26.802 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.950 12.418 -27.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.295 13.372 -27.787 1.00 0.00 H new ATOM 0 HG LEU A 28 37.272 11.043 -29.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.988 11.051 -30.299 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.011 10.564 -28.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.490 12.205 -29.039 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.674 12.627 -31.172 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.242 13.843 -29.946 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.927 13.290 -30.097 1.00 0.00 H new ATOM 432 N CYS A 29 39.420 10.107 -28.198 1.00 0.00 N ATOM 433 CA CYS A 29 40.635 9.836 -28.955 1.00 0.00 C ATOM 434 C CYS A 29 40.320 9.267 -30.330 1.00 0.00 C ATOM 435 O CYS A 29 39.463 8.397 -30.480 1.00 0.00 O ATOM 436 CB CYS A 29 41.550 8.887 -28.183 1.00 0.00 C ATOM 437 SG CYS A 29 43.318 9.087 -28.579 1.00 0.00 S ATOM 0 H CYS A 29 38.809 9.300 -28.072 1.00 0.00 H new ATOM 0 HA CYS A 29 41.153 10.784 -29.097 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.406 9.047 -27.114 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.254 7.859 -28.394 1.00 0.00 H new ATOM 442 N THR A 30 41.026 9.778 -31.331 1.00 0.00 N ATOM 443 CA THR A 30 40.836 9.337 -32.709 1.00 0.00 C ATOM 444 C THR A 30 42.171 9.120 -33.404 1.00 0.00 C ATOM 445 O THR A 30 43.126 9.862 -33.179 1.00 0.00 O ATOM 446 CB THR A 30 40.023 10.359 -33.525 1.00 0.00 C ATOM 447 OG1 THR A 30 38.735 10.552 -32.929 1.00 0.00 O ATOM 448 CG2 THR A 30 39.859 9.893 -34.965 1.00 0.00 C ATOM 0 H THR A 30 41.737 10.500 -31.215 1.00 0.00 H new ATOM 0 HA THR A 30 40.287 8.396 -32.660 1.00 0.00 H new ATOM 0 HB THR A 30 40.565 11.304 -33.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.363 11.409 -33.224 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.282 10.630 -35.523 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.841 9.778 -35.424 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.337 8.936 -34.981 1.00 0.00 H new ATOM 456 N CYS A 31 42.229 8.108 -34.261 1.00 0.00 N ATOM 457 CA CYS A 31 43.448 7.813 -34.995 1.00 0.00 C ATOM 458 C CYS A 31 43.322 8.262 -36.445 1.00 0.00 C ATOM 459 O CYS A 31 42.611 7.649 -37.241 1.00 0.00 O ATOM 460 CB CYS A 31 43.779 6.323 -34.924 1.00 0.00 C ATOM 461 SG CYS A 31 42.482 5.224 -35.574 1.00 0.00 S ATOM 0 H CYS A 31 41.449 7.482 -34.463 1.00 0.00 H new ATOM 0 HA CYS A 31 44.265 8.366 -34.531 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.700 6.143 -35.478 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.974 6.057 -33.885 1.00 0.00 H new ATOM 466 N LEU A 32 44.011 9.347 -36.770 1.00 0.00 N ATOM 467 CA LEU A 32 43.979 9.905 -38.119 1.00 0.00 C ATOM 468 C LEU A 32 44.897 9.124 -39.058 1.00 0.00 C ATOM 469 O LEU A 32 44.513 8.078 -39.583 1.00 0.00 O ATOM 470 CB LEU A 32 44.384 11.383 -38.091 1.00 0.00 C ATOM 471 CG LEU A 32 45.332 11.776 -36.956 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.339 12.811 -37.429 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.545 12.298 -35.762 1.00 0.00 C ATOM 0 H LEU A 32 44.602 9.862 -36.117 1.00 0.00 H new ATOM 0 HA LEU A 32 42.959 9.823 -38.496 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.857 11.632 -39.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.481 11.989 -38.016 1.00 0.00 H new ATOM 0 HG LEU A 32 45.881 10.887 -36.645 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.003 13.076 -36.606 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.926 12.399 -38.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.812 13.702 -37.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.235 12.573 -34.964 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.968 13.173 -36.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.868 11.522 -35.405 1.00 0.00 H new ATOM 485 N GLY A 33 46.109 9.633 -39.267 1.00 0.00 N ATOM 486 CA GLY A 33 47.050 8.961 -40.144 1.00 0.00 C ATOM 487 C GLY A 33 48.462 8.987 -39.601 1.00 0.00 C ATOM 488 O GLY A 33 49.155 7.969 -39.600 1.00 0.00 O ATOM 0 H GLY A 33 46.454 10.496 -38.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.737 7.927 -40.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.032 9.436 -41.125 1.00 0.00 H new ATOM 492 N ASN A 34 48.885 10.152 -39.129 1.00 0.00 N ATOM 493 CA ASN A 34 50.220 10.309 -38.571 1.00 0.00 C ATOM 494 C ASN A 34 50.287 9.689 -37.181 1.00 0.00 C ATOM 495 O ASN A 34 51.365 9.365 -36.682 1.00 0.00 O ATOM 496 CB ASN A 34 50.599 11.789 -38.503 1.00 0.00 C ATOM 497 CG ASN A 34 49.524 12.631 -37.844 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.669 13.207 -38.518 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.562 12.707 -36.518 1.00 0.00 N ATOM 0 H ASN A 34 48.322 11.002 -39.122 1.00 0.00 H new ATOM 0 HA ASN A 34 50.929 9.796 -39.221 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.532 11.897 -37.950 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.781 12.161 -39.511 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.865 13.259 -36.019 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.288 12.213 -35.999 1.00 0.00 H new ATOM 506 N GLY A 35 49.122 9.522 -36.565 1.00 0.00 N ATOM 507 CA GLY A 35 49.056 8.938 -35.240 1.00 0.00 C ATOM 508 C GLY A 35 47.653 8.961 -34.668 1.00 0.00 C ATOM 509 O GLY A 35 46.677 8.775 -35.393 1.00 0.00 O ATOM 0 H GLY A 35 48.219 9.782 -36.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.412 7.909 -35.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.726 9.480 -34.573 1.00 0.00 H new ATOM 513 N VAL A 36 47.553 9.196 -33.365 1.00 0.00 N ATOM 514 CA VAL A 36 46.260 9.250 -32.696 1.00 0.00 C ATOM 515 C VAL A 36 46.184 10.458 -31.768 1.00 0.00 C ATOM 516 O VAL A 36 46.950 10.568 -30.812 1.00 0.00 O ATOM 517 CB VAL A 36 45.981 7.967 -31.886 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.698 8.107 -31.080 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.905 6.762 -32.807 1.00 0.00 C ATOM 0 H VAL A 36 48.352 9.352 -32.751 1.00 0.00 H new ATOM 0 HA VAL A 36 45.502 9.338 -33.474 1.00 0.00 H new ATOM 0 HB VAL A 36 46.806 7.816 -31.189 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.521 7.191 -30.517 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.792 8.945 -30.390 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.861 8.285 -31.756 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.708 5.866 -32.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.101 6.906 -33.529 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.851 6.648 -33.335 1.00 0.00 H new ATOM 529 N SER A 37 45.255 11.361 -32.060 1.00 0.00 N ATOM 530 CA SER A 37 45.078 12.561 -31.254 1.00 0.00 C ATOM 531 C SER A 37 43.708 12.570 -30.589 1.00 0.00 C ATOM 532 O SER A 37 42.682 12.425 -31.256 1.00 0.00 O ATOM 533 CB SER A 37 45.247 13.812 -32.118 1.00 0.00 C ATOM 534 OG SER A 37 45.537 14.947 -31.321 1.00 0.00 O ATOM 0 H SER A 37 44.613 11.284 -32.849 1.00 0.00 H new ATOM 0 HA SER A 37 45.841 12.561 -30.475 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.050 13.655 -32.838 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.336 13.989 -32.690 1.00 0.00 H new ATOM 0 HG SER A 37 45.642 15.733 -31.897 1.00 0.00 H new ATOM 540 N CYS A 38 43.696 12.739 -29.272 1.00 0.00 N ATOM 541 CA CYS A 38 42.450 12.764 -28.517 1.00 0.00 C ATOM 542 C CYS A 38 42.164 14.162 -27.985 1.00 0.00 C ATOM 543 O CYS A 38 43.059 14.847 -27.489 1.00 0.00 O ATOM 544 CB CYS A 38 42.508 11.766 -27.357 1.00 0.00 C ATOM 545 SG CYS A 38 43.932 10.627 -27.401 1.00 0.00 S ATOM 0 H CYS A 38 44.535 12.861 -28.705 1.00 0.00 H new ATOM 0 HA CYS A 38 41.642 12.479 -29.191 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.533 12.321 -26.419 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.590 11.178 -27.355 1.00 0.00 H new ATOM 550 N GLN A 39 40.908 14.575 -28.092 1.00 0.00 N ATOM 551 CA GLN A 39 40.491 15.889 -27.621 1.00 0.00 C ATOM 552 C GLN A 39 39.552 15.756 -26.429 1.00 0.00 C ATOM 553 O GLN A 39 38.508 15.109 -26.518 1.00 0.00 O ATOM 554 CB GLN A 39 39.800 16.662 -28.746 1.00 0.00 C ATOM 555 CG GLN A 39 40.701 17.678 -29.429 1.00 0.00 C ATOM 556 CD GLN A 39 40.214 18.048 -30.818 1.00 0.00 C ATOM 557 OE1 GLN A 39 40.952 17.938 -31.797 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.965 18.491 -30.909 1.00 0.00 N ATOM 0 H GLN A 39 40.159 14.017 -28.502 1.00 0.00 H new ATOM 0 HA GLN A 39 41.379 16.438 -27.308 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.435 15.955 -29.490 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.929 17.176 -28.340 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.758 18.578 -28.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 41.711 17.274 -29.498 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.388 18.566 -30.071 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.583 18.756 -31.817 1.00 0.00 H new ATOM 636 N GLN A 45 28.089 18.891 -15.784 1.00 0.00 N ATOM 637 CA GLN A 45 27.086 18.501 -14.803 1.00 0.00 C ATOM 638 C GLN A 45 25.694 18.488 -15.426 1.00 0.00 C ATOM 639 O GLN A 45 25.529 18.787 -16.608 1.00 0.00 O ATOM 640 CB GLN A 45 27.114 19.453 -13.606 1.00 0.00 C ATOM 641 CG GLN A 45 26.565 20.835 -13.912 1.00 0.00 C ATOM 642 CD GLN A 45 26.127 21.575 -12.663 1.00 0.00 C ATOM 643 OE1 GLN A 45 26.893 22.343 -12.082 1.00 0.00 O ATOM 644 NE2 GLN A 45 24.889 21.344 -12.244 1.00 0.00 N ATOM 0 HA GLN A 45 27.321 17.493 -14.460 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.537 19.015 -12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.141 19.550 -13.254 1.00 0.00 H new ATOM 0 HG2 GLN A 45 27.327 21.419 -14.428 1.00 0.00 H new ATOM 0 HG3 GLN A 45 25.718 20.744 -14.592 1.00 0.00 H new ATOM 0 HE21 GLN A 45 24.289 20.699 -12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 45 24.538 21.812 -11.408 1.00 0.00 H new ATOM 653 N THR A 46 24.695 18.142 -14.622 1.00 0.00 N ATOM 654 CA THR A 46 23.318 18.091 -15.098 1.00 0.00 C ATOM 655 C THR A 46 22.349 18.611 -14.044 1.00 0.00 C ATOM 656 O THR A 46 22.486 18.314 -12.857 1.00 0.00 O ATOM 657 CB THR A 46 22.909 16.660 -15.491 1.00 0.00 C ATOM 658 OG1 THR A 46 23.291 15.740 -14.461 1.00 0.00 O ATOM 659 CG2 THR A 46 23.556 16.253 -16.807 1.00 0.00 C ATOM 0 H THR A 46 24.812 17.893 -13.640 1.00 0.00 H new ATOM 0 HA THR A 46 23.269 18.730 -15.980 1.00 0.00 H new ATOM 0 HB THR A 46 21.826 16.637 -15.615 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.494 15.286 -14.116 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.252 15.238 -17.063 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.240 16.937 -17.595 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.641 16.292 -16.707 1.00 0.00 H new ATOM 667 N TYR A 47 21.370 19.391 -14.487 1.00 0.00 N ATOM 668 CA TYR A 47 20.374 19.958 -13.586 1.00 0.00 C ATOM 669 C TYR A 47 18.997 19.982 -14.242 1.00 0.00 C ATOM 670 O TYR A 47 18.875 20.232 -15.440 1.00 0.00 O ATOM 671 CB TYR A 47 20.781 21.373 -13.176 1.00 0.00 C ATOM 672 CG TYR A 47 20.936 22.319 -14.346 1.00 0.00 C ATOM 673 CD1 TYR A 47 19.824 22.815 -15.013 1.00 0.00 C ATOM 674 CD2 TYR A 47 22.195 22.715 -14.781 1.00 0.00 C ATOM 675 CE1 TYR A 47 19.962 23.681 -16.082 1.00 0.00 C ATOM 676 CE2 TYR A 47 22.341 23.581 -15.849 1.00 0.00 C ATOM 677 CZ TYR A 47 21.221 24.061 -16.495 1.00 0.00 C ATOM 678 OH TYR A 47 21.361 24.923 -17.558 1.00 0.00 O ATOM 0 H TYR A 47 21.245 19.646 -15.467 1.00 0.00 H new ATOM 0 HA TYR A 47 20.321 19.329 -12.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.033 21.774 -12.492 1.00 0.00 H new ATOM 0 HB3 TYR A 47 21.722 21.328 -12.629 1.00 0.00 H new ATOM 0 HD1 TYR A 47 18.836 22.520 -14.692 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.074 22.340 -14.277 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.087 24.058 -16.591 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.326 23.880 -16.175 1.00 0.00 H new ATOM 0 HH TYR A 47 22.313 25.091 -17.720 1.00 0.00 H new ATOM 688 N GLY A 48 17.965 19.720 -13.447 1.00 0.00 N ATOM 689 CA GLY A 48 16.611 19.717 -13.967 1.00 0.00 C ATOM 690 C GLY A 48 16.516 19.063 -15.331 1.00 0.00 C ATOM 691 O GLY A 48 16.777 17.870 -15.474 1.00 0.00 O ATOM 0 H GLY A 48 18.042 19.510 -12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 48 15.958 19.192 -13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.248 20.743 -14.033 1.00 0.00 H new ATOM 695 N GLY A 49 16.141 19.849 -16.335 1.00 0.00 N ATOM 696 CA GLY A 49 16.018 19.324 -17.681 1.00 0.00 C ATOM 697 C GLY A 49 14.789 18.453 -17.853 1.00 0.00 C ATOM 698 O GLY A 49 13.670 18.884 -17.568 1.00 0.00 O ATOM 0 H GLY A 49 15.920 20.840 -16.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.975 20.152 -18.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.908 18.744 -17.924 1.00 0.00 H new ATOM 702 N ASN A 50 14.996 17.226 -18.316 1.00 0.00 N ATOM 703 CA ASN A 50 13.894 16.293 -18.523 1.00 0.00 C ATOM 704 C ASN A 50 13.942 15.163 -17.501 1.00 0.00 C ATOM 705 O ASN A 50 12.946 14.477 -17.271 1.00 0.00 O ATOM 706 CB ASN A 50 13.943 15.717 -19.940 1.00 0.00 C ATOM 707 CG ASN A 50 12.669 15.985 -20.717 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.380 17.123 -21.087 1.00 0.00 O ATOM 709 ND2 ASN A 50 11.897 14.934 -20.967 1.00 0.00 N ATOM 0 H ASN A 50 15.915 16.854 -18.555 1.00 0.00 H new ATOM 0 HA ASN A 50 12.959 16.839 -18.393 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.789 16.148 -20.475 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.113 14.642 -19.887 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.026 15.053 -21.484 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.175 14.008 -20.642 1.00 0.00 H new ATOM 716 N SER A 51 15.107 14.974 -16.890 1.00 0.00 N ATOM 717 CA SER A 51 15.285 13.926 -15.891 1.00 0.00 C ATOM 718 C SER A 51 16.093 14.435 -14.701 1.00 0.00 C ATOM 719 O SER A 51 16.924 13.715 -14.150 1.00 0.00 O ATOM 720 CB SER A 51 15.977 12.713 -16.511 1.00 0.00 C ATOM 721 OG SER A 51 15.189 12.147 -17.543 1.00 0.00 O ATOM 0 H SER A 51 15.942 15.532 -17.069 1.00 0.00 H new ATOM 0 HA SER A 51 14.298 13.630 -15.535 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.947 13.009 -16.911 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.165 11.965 -15.741 1.00 0.00 H new ATOM 0 HG SER A 51 15.655 11.374 -17.924 1.00 0.00 H new ATOM 727 N ASN A 52 15.841 15.679 -14.308 1.00 0.00 N ATOM 728 CA ASN A 52 16.546 16.282 -13.182 1.00 0.00 C ATOM 729 C ASN A 52 18.048 16.044 -13.292 1.00 0.00 C ATOM 730 O ASN A 52 18.764 16.064 -12.291 1.00 0.00 O ATOM 731 CB ASN A 52 16.021 15.711 -11.864 1.00 0.00 C ATOM 732 CG ASN A 52 16.662 16.364 -10.655 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.360 17.370 -10.775 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.427 15.790 -9.480 1.00 0.00 N ATOM 0 H ASN A 52 15.155 16.289 -14.752 1.00 0.00 H new ATOM 0 HA ASN A 52 16.365 17.357 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.941 15.847 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.208 14.638 -11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.832 16.183 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.842 14.956 -9.428 1.00 0.00 H new ATOM 741 N GLY A 53 18.519 15.821 -14.514 1.00 0.00 N ATOM 742 CA GLY A 53 19.934 15.585 -14.731 1.00 0.00 C ATOM 743 C GLY A 53 20.344 14.162 -14.409 1.00 0.00 C ATOM 744 O GLY A 53 21.173 13.934 -13.528 1.00 0.00 O ATOM 0 H GLY A 53 17.946 15.799 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.180 15.804 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.512 16.274 -14.115 1.00 0.00 H new ATOM 748 N GLU A 54 19.766 13.203 -15.124 1.00 0.00 N ATOM 749 CA GLU A 54 20.079 11.796 -14.908 1.00 0.00 C ATOM 750 C GLU A 54 21.279 11.370 -15.746 1.00 0.00 C ATOM 751 O GLU A 54 21.718 12.097 -16.638 1.00 0.00 O ATOM 752 CB GLU A 54 18.871 10.921 -15.246 1.00 0.00 C ATOM 753 CG GLU A 54 17.892 10.764 -14.095 1.00 0.00 C ATOM 754 CD GLU A 54 18.582 10.584 -12.757 1.00 0.00 C ATOM 755 OE1 GLU A 54 19.001 9.447 -12.454 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.705 11.580 -12.013 1.00 0.00 O ATOM 0 H GLU A 54 19.079 13.375 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 54 20.328 11.666 -13.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.349 11.352 -16.100 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.221 9.935 -15.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.247 11.641 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.249 9.905 -14.286 1.00 0.00 H new ATOM 763 N PRO A 55 21.825 10.178 -15.465 1.00 0.00 N ATOM 764 CA PRO A 55 22.981 9.643 -16.190 1.00 0.00 C ATOM 765 C PRO A 55 22.792 9.689 -17.702 1.00 0.00 C ATOM 766 O PRO A 55 21.993 8.937 -18.261 1.00 0.00 O ATOM 767 CB PRO A 55 23.061 8.195 -15.706 1.00 0.00 C ATOM 768 CG PRO A 55 22.430 8.211 -14.358 1.00 0.00 C ATOM 769 CD PRO A 55 21.353 9.260 -14.416 1.00 0.00 C ATOM 0 HA PRO A 55 23.884 10.223 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.534 7.522 -16.382 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.094 7.851 -15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.011 7.235 -14.112 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.163 8.447 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.384 8.828 -14.667 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.237 9.769 -13.459 1.00 0.00 H new ATOM 777 N CYS A 56 23.534 10.574 -18.360 1.00 0.00 N ATOM 778 CA CYS A 56 23.450 10.715 -19.809 1.00 0.00 C ATOM 779 C CYS A 56 23.684 9.375 -20.498 1.00 0.00 C ATOM 780 O CYS A 56 23.688 8.326 -19.851 1.00 0.00 O ATOM 781 CB CYS A 56 24.471 11.743 -20.299 1.00 0.00 C ATOM 782 SG CYS A 56 24.225 13.417 -19.624 1.00 0.00 S ATOM 0 H CYS A 56 24.200 11.204 -17.913 1.00 0.00 H new ATOM 0 HA CYS A 56 22.448 11.061 -20.062 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.471 11.400 -20.035 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.428 11.792 -21.387 1.00 0.00 H new ATOM 787 N VAL A 57 23.879 9.412 -21.812 1.00 0.00 N ATOM 788 CA VAL A 57 24.112 8.198 -22.583 1.00 0.00 C ATOM 789 C VAL A 57 24.940 8.489 -23.831 1.00 0.00 C ATOM 790 O VAL A 57 24.660 7.971 -24.912 1.00 0.00 O ATOM 791 CB VAL A 57 22.782 7.530 -22.991 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.193 8.192 -24.226 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.982 6.039 -23.220 1.00 0.00 C ATOM 0 H VAL A 57 23.880 10.270 -22.364 1.00 0.00 H new ATOM 0 HA VAL A 57 24.667 7.513 -21.942 1.00 0.00 H new ATOM 0 HB VAL A 57 22.073 7.660 -22.173 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.257 7.701 -24.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.004 9.245 -24.019 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.895 8.105 -25.055 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.034 5.585 -23.507 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.712 5.888 -24.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.344 5.575 -22.302 1.00 0.00 H new ATOM 803 N LEU A 58 25.962 9.323 -23.673 1.00 0.00 N ATOM 804 CA LEU A 58 26.835 9.689 -24.783 1.00 0.00 C ATOM 805 C LEU A 58 28.065 8.784 -24.830 1.00 0.00 C ATOM 806 O LEU A 58 28.430 8.167 -23.830 1.00 0.00 O ATOM 807 CB LEU A 58 27.264 11.153 -24.661 1.00 0.00 C ATOM 808 CG LEU A 58 27.760 11.577 -23.276 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.592 11.950 -22.378 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.592 10.471 -22.644 1.00 0.00 C ATOM 0 H LEU A 58 26.207 9.760 -22.784 1.00 0.00 H new ATOM 0 HA LEU A 58 26.277 9.559 -25.710 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.055 11.344 -25.386 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.420 11.786 -24.936 1.00 0.00 H new ATOM 0 HG LEU A 58 28.393 12.457 -23.394 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.967 12.248 -21.399 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.041 12.778 -22.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.930 11.091 -22.267 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.936 10.791 -21.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.984 9.572 -22.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.453 10.257 -23.277 1.00 0.00 H new ATOM 822 N PRO A 59 28.722 8.695 -25.999 1.00 0.00 N ATOM 823 CA PRO A 59 28.309 9.420 -27.206 1.00 0.00 C ATOM 824 C PRO A 59 27.014 8.877 -27.798 1.00 0.00 C ATOM 825 O PRO A 59 26.857 7.668 -27.973 1.00 0.00 O ATOM 826 CB PRO A 59 29.472 9.194 -28.173 1.00 0.00 C ATOM 827 CG PRO A 59 30.097 7.919 -27.724 1.00 0.00 C ATOM 828 CD PRO A 59 29.924 7.875 -26.231 1.00 0.00 C ATOM 0 HA PRO A 59 28.107 10.471 -26.997 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.122 9.122 -29.203 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.184 10.018 -28.135 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.618 7.062 -28.198 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.152 7.885 -27.996 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.789 6.855 -25.873 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.793 8.282 -25.714 1.00 0.00 H new ATOM 836 N PHE A 60 26.088 9.779 -28.103 1.00 0.00 N ATOM 837 CA PHE A 60 24.804 9.396 -28.675 1.00 0.00 C ATOM 838 C PHE A 60 24.671 9.919 -30.101 1.00 0.00 C ATOM 839 O PHE A 60 25.602 10.514 -30.645 1.00 0.00 O ATOM 840 CB PHE A 60 23.660 9.936 -27.815 1.00 0.00 C ATOM 841 CG PHE A 60 23.873 11.353 -27.364 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.846 12.394 -28.277 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.102 11.641 -26.028 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.046 13.698 -27.866 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.301 12.944 -25.612 1.00 0.00 C ATOM 846 CZ PHE A 60 24.273 13.974 -26.532 1.00 0.00 C ATOM 0 H PHE A 60 26.204 10.783 -27.963 1.00 0.00 H new ATOM 0 HA PHE A 60 24.752 8.307 -28.697 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.730 9.878 -28.381 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.540 9.298 -26.940 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.667 12.184 -29.321 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.125 10.839 -25.305 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.025 14.501 -28.588 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.478 13.157 -24.568 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.428 14.993 -26.209 1.00 0.00 H new ATOM 856 N THR A 61 23.508 9.697 -30.701 1.00 0.00 N ATOM 857 CA THR A 61 23.250 10.146 -32.063 1.00 0.00 C ATOM 858 C THR A 61 21.952 10.941 -32.137 1.00 0.00 C ATOM 859 O THR A 61 20.898 10.468 -31.713 1.00 0.00 O ATOM 860 CB THR A 61 23.171 8.960 -33.041 1.00 0.00 C ATOM 861 OG1 THR A 61 23.860 7.828 -32.494 1.00 0.00 O ATOM 862 CG2 THR A 61 23.779 9.327 -34.386 1.00 0.00 C ATOM 0 H THR A 61 22.727 9.207 -30.264 1.00 0.00 H new ATOM 0 HA THR A 61 24.084 10.786 -32.351 1.00 0.00 H new ATOM 0 HB THR A 61 22.121 8.710 -33.190 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.804 7.077 -33.121 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.712 8.474 -35.061 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.236 10.170 -34.813 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.825 9.600 -34.250 1.00 0.00 H new ATOM 870 N TYR A 62 22.035 12.152 -32.675 1.00 0.00 N ATOM 871 CA TYR A 62 20.864 13.011 -32.800 1.00 0.00 C ATOM 872 C TYR A 62 20.948 13.872 -34.055 1.00 0.00 C ATOM 873 O TYR A 62 21.985 14.466 -34.346 1.00 0.00 O ATOM 874 CB TYR A 62 20.722 13.903 -31.565 1.00 0.00 C ATOM 875 CG TYR A 62 19.615 14.927 -31.680 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.280 14.540 -31.675 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.904 16.281 -31.796 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.266 15.472 -31.782 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.896 17.219 -31.903 1.00 0.00 C ATOM 880 CZ TYR A 62 17.579 16.811 -31.896 1.00 0.00 C ATOM 881 OH TYR A 62 16.572 17.742 -32.003 1.00 0.00 O ATOM 0 H TYR A 62 22.899 12.561 -33.031 1.00 0.00 H new ATOM 0 HA TYR A 62 19.986 12.370 -32.880 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.535 13.275 -30.694 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.666 14.419 -31.390 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.031 13.493 -31.586 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.934 16.605 -31.803 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.234 15.154 -31.776 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.138 18.268 -31.992 1.00 0.00 H new ATOM 0 HH TYR A 62 15.777 17.420 -31.529 1.00 0.00 H new ATOM 891 N ASN A 63 19.846 13.934 -34.794 1.00 0.00 N ATOM 892 CA ASN A 63 19.790 14.722 -36.017 1.00 0.00 C ATOM 893 C ASN A 63 20.661 14.105 -37.108 1.00 0.00 C ATOM 894 O ASN A 63 20.828 14.682 -38.183 1.00 0.00 O ATOM 895 CB ASN A 63 20.231 16.160 -35.743 1.00 0.00 C ATOM 896 CG ASN A 63 19.112 17.158 -35.961 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.122 16.860 -36.631 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.263 18.349 -35.396 1.00 0.00 N ATOM 0 H ASN A 63 18.979 13.447 -34.566 1.00 0.00 H new ATOM 0 HA ASN A 63 18.758 14.728 -36.367 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.589 16.238 -34.716 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.069 16.410 -36.393 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.542 19.062 -35.508 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.100 18.552 -34.849 1.00 0.00 H new ATOM 905 N GLY A 64 21.212 12.928 -36.828 1.00 0.00 N ATOM 906 CA GLY A 64 22.052 12.255 -37.800 1.00 0.00 C ATOM 907 C GLY A 64 23.526 12.323 -37.452 1.00 0.00 C ATOM 908 O GLY A 64 24.347 11.651 -38.076 1.00 0.00 O ATOM 0 H GLY A 64 21.092 12.429 -35.946 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.749 11.211 -37.874 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.894 12.703 -38.781 1.00 0.00 H new ATOM 912 N ARG A 65 23.867 13.132 -36.455 1.00 0.00 N ATOM 913 CA ARG A 65 25.257 13.275 -36.036 1.00 0.00 C ATOM 914 C ARG A 65 25.502 12.560 -34.712 1.00 0.00 C ATOM 915 O ARG A 65 24.696 11.735 -34.281 1.00 0.00 O ATOM 916 CB ARG A 65 25.634 14.751 -35.911 1.00 0.00 C ATOM 917 CG ARG A 65 24.981 15.453 -34.733 1.00 0.00 C ATOM 918 CD ARG A 65 24.785 16.933 -35.010 1.00 0.00 C ATOM 919 NE ARG A 65 23.668 17.170 -35.917 1.00 0.00 N ATOM 920 CZ ARG A 65 23.564 18.243 -36.694 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.504 19.177 -36.670 1.00 0.00 N ATOM 922 NH2 ARG A 65 22.518 18.385 -37.499 1.00 0.00 N ATOM 0 H ARG A 65 23.204 13.696 -35.924 1.00 0.00 H new ATOM 0 HA ARG A 65 25.885 12.816 -36.799 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.717 14.833 -35.816 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.355 15.267 -36.830 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.017 14.990 -34.520 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.599 15.326 -33.844 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.609 17.458 -34.071 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.697 17.346 -35.441 1.00 0.00 H new ATOM 0 HE ARG A 65 22.925 16.473 -35.957 1.00 0.00 H new ATOM 0 HH11 ARG A 65 25.310 19.073 -36.054 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.421 19.999 -37.268 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.791 17.669 -37.522 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.441 19.210 -38.094 1.00 0.00 H new ATOM 936 N THR A 66 26.620 12.884 -34.074 1.00 0.00 N ATOM 937 CA THR A 66 26.978 12.271 -32.800 1.00 0.00 C ATOM 938 C THR A 66 27.639 13.282 -31.868 1.00 0.00 C ATOM 939 O THR A 66 28.363 14.172 -32.315 1.00 0.00 O ATOM 940 CB THR A 66 27.929 11.077 -33.000 1.00 0.00 C ATOM 941 OG1 THR A 66 27.368 10.153 -33.942 1.00 0.00 O ATOM 942 CG2 THR A 66 28.191 10.367 -31.681 1.00 0.00 C ATOM 0 H THR A 66 27.295 13.568 -34.418 1.00 0.00 H new ATOM 0 HA THR A 66 26.051 11.917 -32.348 1.00 0.00 H new ATOM 0 HB THR A 66 28.875 11.457 -33.385 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.981 9.398 -34.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.865 9.527 -31.848 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.646 11.064 -30.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.250 10.001 -31.272 1.00 0.00 H new ATOM 950 N PHE A 67 27.384 13.140 -30.572 1.00 0.00 N ATOM 951 CA PHE A 67 27.954 14.042 -29.579 1.00 0.00 C ATOM 952 C PHE A 67 28.519 13.262 -28.394 1.00 0.00 C ATOM 953 O PHE A 67 27.828 12.438 -27.794 1.00 0.00 O ATOM 954 CB PHE A 67 26.893 15.033 -29.097 1.00 0.00 C ATOM 955 CG PHE A 67 25.921 15.432 -30.170 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.070 14.497 -30.735 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.860 16.744 -30.615 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.176 14.860 -31.723 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.967 17.113 -31.603 1.00 0.00 C ATOM 960 CZ PHE A 67 24.125 16.171 -32.158 1.00 0.00 C ATOM 0 H PHE A 67 26.787 12.409 -30.185 1.00 0.00 H new ATOM 0 HA PHE A 67 28.770 14.592 -30.047 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.344 14.591 -28.265 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.387 15.926 -28.714 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.106 13.471 -30.399 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.517 17.485 -30.185 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.518 14.121 -32.155 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.928 18.138 -31.941 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.427 16.458 -32.931 1.00 0.00 H new ATOM 970 N TYR A 68 29.778 13.532 -28.063 1.00 0.00 N ATOM 971 CA TYR A 68 30.438 12.860 -26.950 1.00 0.00 C ATOM 972 C TYR A 68 30.266 13.659 -25.662 1.00 0.00 C ATOM 973 O TYR A 68 31.198 13.789 -24.868 1.00 0.00 O ATOM 974 CB TYR A 68 31.925 12.668 -27.256 1.00 0.00 C ATOM 975 CG TYR A 68 32.187 11.691 -28.379 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.911 12.028 -29.698 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.708 10.429 -28.120 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.147 11.137 -30.728 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.947 9.532 -29.145 1.00 0.00 C ATOM 980 CZ TYR A 68 32.665 9.890 -30.446 1.00 0.00 C ATOM 981 OH TYR A 68 32.901 9.000 -31.467 1.00 0.00 O ATOM 0 H TYR A 68 30.362 14.212 -28.550 1.00 0.00 H new ATOM 0 HA TYR A 68 29.976 11.882 -26.815 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.362 13.632 -27.514 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.431 12.319 -26.356 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.505 13.003 -29.923 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.930 10.144 -27.102 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.927 11.416 -31.748 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.353 8.555 -28.927 1.00 0.00 H new ATOM 0 HH TYR A 68 33.267 8.169 -31.098 1.00 0.00 H new ATOM 991 N SER A 69 29.064 14.190 -25.466 1.00 0.00 N ATOM 992 CA SER A 69 28.756 14.980 -24.279 1.00 0.00 C ATOM 993 C SER A 69 27.562 15.892 -24.537 1.00 0.00 C ATOM 994 O SER A 69 26.942 15.829 -25.599 1.00 0.00 O ATOM 995 CB SER A 69 29.971 15.812 -23.861 1.00 0.00 C ATOM 996 OG SER A 69 30.776 15.106 -22.934 1.00 0.00 O ATOM 0 H SER A 69 28.285 14.087 -26.116 1.00 0.00 H new ATOM 0 HA SER A 69 28.503 14.295 -23.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.562 16.067 -24.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.638 16.751 -23.418 1.00 0.00 H new ATOM 0 HG SER A 69 31.159 14.315 -23.369 1.00 0.00 H new ATOM 1002 N CYS A 70 27.243 16.741 -23.567 1.00 0.00 N ATOM 1003 CA CYS A 70 26.127 17.662 -23.703 1.00 0.00 C ATOM 1004 C CYS A 70 26.156 18.339 -25.067 1.00 0.00 C ATOM 1005 O CYS A 70 27.118 18.193 -25.821 1.00 0.00 O ATOM 1006 CB CYS A 70 26.171 18.708 -22.592 1.00 0.00 C ATOM 1007 SG CYS A 70 26.159 18.009 -20.910 1.00 0.00 S ATOM 0 H CYS A 70 27.742 16.809 -22.680 1.00 0.00 H new ATOM 0 HA CYS A 70 25.198 17.097 -23.619 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.068 19.315 -22.715 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.316 19.376 -22.702 1.00 0.00 H new ATOM 1012 N THR A 71 25.099 19.077 -25.383 1.00 0.00 N ATOM 1013 CA THR A 71 25.012 19.769 -26.661 1.00 0.00 C ATOM 1014 C THR A 71 23.721 20.567 -26.771 1.00 0.00 C ATOM 1015 O THR A 71 22.694 20.192 -26.203 1.00 0.00 O ATOM 1016 CB THR A 71 25.086 18.783 -27.840 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.400 19.487 -29.048 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.767 18.044 -28.009 1.00 0.00 C ATOM 0 H THR A 71 24.293 19.211 -24.773 1.00 0.00 H new ATOM 0 HA THR A 71 25.863 20.449 -26.706 1.00 0.00 H new ATOM 0 HB THR A 71 25.870 18.055 -27.628 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.427 18.856 -29.797 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.842 17.352 -28.848 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.543 17.487 -27.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.970 18.762 -28.201 1.00 0.00 H new ATOM 1026 N THR A 72 23.779 21.665 -27.512 1.00 0.00 N ATOM 1027 CA THR A 72 22.615 22.514 -27.706 1.00 0.00 C ATOM 1028 C THR A 72 22.181 22.506 -29.170 1.00 0.00 C ATOM 1029 O THR A 72 22.344 23.497 -29.882 1.00 0.00 O ATOM 1030 CB THR A 72 22.900 23.964 -27.266 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.314 24.189 -27.215 1.00 0.00 O ATOM 1032 CG2 THR A 72 22.288 24.244 -25.900 1.00 0.00 C ATOM 0 H THR A 72 24.621 21.988 -27.988 1.00 0.00 H new ATOM 0 HA THR A 72 21.812 22.112 -27.088 1.00 0.00 H new ATOM 0 HB THR A 72 22.450 24.639 -27.994 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.488 25.112 -26.937 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.502 25.273 -25.610 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.209 24.097 -25.948 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.715 23.563 -25.164 1.00 0.00 H new ATOM 1040 N GLU A 73 21.636 21.374 -29.613 1.00 0.00 N ATOM 1041 CA GLU A 73 21.184 21.228 -30.995 1.00 0.00 C ATOM 1042 C GLU A 73 19.663 21.282 -31.086 1.00 0.00 C ATOM 1043 O GLU A 73 19.104 22.024 -31.894 1.00 0.00 O ATOM 1044 CB GLU A 73 21.691 19.909 -31.580 1.00 0.00 C ATOM 1045 CG GLU A 73 22.869 20.074 -32.525 1.00 0.00 C ATOM 1046 CD GLU A 73 22.462 20.637 -33.872 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.374 21.877 -33.996 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.230 19.838 -34.804 1.00 0.00 O ATOM 0 H GLU A 73 21.497 20.545 -29.035 1.00 0.00 H new ATOM 0 HA GLU A 73 21.592 22.059 -31.570 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.981 19.247 -30.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.875 19.420 -32.112 1.00 0.00 H new ATOM 0 HG2 GLU A 73 23.607 20.733 -32.068 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.352 19.107 -32.670 1.00 0.00 H new ATOM 1055 N GLY A 74 19.000 20.490 -30.253 1.00 0.00 N ATOM 1056 CA GLY A 74 17.551 20.457 -30.252 1.00 0.00 C ATOM 1057 C GLY A 74 16.966 20.696 -28.875 1.00 0.00 C ATOM 1058 O GLY A 74 16.526 19.761 -28.207 1.00 0.00 O ATOM 0 H GLY A 74 19.442 19.868 -29.576 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.173 21.213 -30.940 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.213 19.490 -30.624 1.00 0.00 H new ATOM 1122 N HIS A 79 19.971 25.553 -23.795 1.00 0.00 N ATOM 1123 CA HIS A 79 20.752 25.092 -22.653 1.00 0.00 C ATOM 1124 C HIS A 79 21.381 23.735 -22.945 1.00 0.00 C ATOM 1125 O HIS A 79 20.699 22.805 -23.376 1.00 0.00 O ATOM 1126 CB HIS A 79 19.873 24.995 -21.402 1.00 0.00 C ATOM 1127 CG HIS A 79 18.493 25.550 -21.583 1.00 0.00 C ATOM 1128 ND1 HIS A 79 17.540 24.951 -22.381 1.00 0.00 N ATOM 1129 CD2 HIS A 79 17.904 26.652 -21.061 1.00 0.00 C ATOM 1130 CE1 HIS A 79 16.426 25.661 -22.341 1.00 0.00 C ATOM 1131 NE2 HIS A 79 16.621 26.697 -21.547 1.00 0.00 N ATOM 0 HA HIS A 79 21.545 25.818 -22.473 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.797 23.949 -21.104 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.362 25.525 -20.585 1.00 0.00 H new ATOM 0 HD1 HIS A 79 17.674 24.094 -22.918 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.359 27.363 -20.388 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.512 25.432 -22.868 1.00 0.00 H new ATOM 1140 N LEU A 80 22.684 23.624 -22.706 1.00 0.00 N ATOM 1141 CA LEU A 80 23.392 22.373 -22.943 1.00 0.00 C ATOM 1142 C LEU A 80 22.578 21.197 -22.421 1.00 0.00 C ATOM 1143 O LEU A 80 22.251 21.133 -21.236 1.00 0.00 O ATOM 1144 CB LEU A 80 24.763 22.399 -22.265 1.00 0.00 C ATOM 1145 CG LEU A 80 25.909 22.926 -23.130 1.00 0.00 C ATOM 1146 CD1 LEU A 80 25.531 24.255 -23.766 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.176 23.071 -22.302 1.00 0.00 C ATOM 0 H LEU A 80 23.267 24.381 -22.350 1.00 0.00 H new ATOM 0 HA LEU A 80 23.533 22.256 -24.018 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.695 23.014 -21.367 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.009 21.388 -21.941 1.00 0.00 H new ATOM 0 HG LEU A 80 26.098 22.207 -23.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.359 24.614 -24.378 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.649 24.121 -24.392 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.314 24.984 -22.985 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.982 23.447 -22.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 26.999 23.770 -21.485 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.457 22.100 -21.894 1.00 0.00 H new ATOM 1159 N TRP A 81 22.241 20.273 -23.312 1.00 0.00 N ATOM 1160 CA TRP A 81 21.453 19.108 -22.937 1.00 0.00 C ATOM 1161 C TRP A 81 22.102 17.818 -23.429 1.00 0.00 C ATOM 1162 O TRP A 81 22.866 17.823 -24.395 1.00 0.00 O ATOM 1163 CB TRP A 81 20.042 19.228 -23.513 1.00 0.00 C ATOM 1164 CG TRP A 81 20.016 19.217 -25.011 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.955 20.301 -25.841 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.056 18.064 -25.860 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.955 19.891 -27.151 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.014 18.523 -27.188 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.121 16.687 -25.624 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.038 17.655 -28.278 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.145 15.827 -26.705 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.102 16.313 -28.017 1.00 0.00 C ATOM 0 H TRP A 81 22.501 20.308 -24.298 1.00 0.00 H new ATOM 0 HA TRP A 81 21.403 19.070 -21.849 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.432 18.406 -23.139 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.587 20.151 -23.154 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.913 21.329 -25.514 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.917 20.505 -27.965 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.152 16.303 -24.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.007 18.028 -29.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.198 14.762 -26.535 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.120 15.614 -28.840 1.00 0.00 H new ATOM 1183 N CYS A 82 21.782 16.713 -22.762 1.00 0.00 N ATOM 1184 CA CYS A 82 22.321 15.409 -23.131 1.00 0.00 C ATOM 1185 C CYS A 82 21.197 14.386 -23.254 1.00 0.00 C ATOM 1186 O CYS A 82 20.022 14.724 -23.101 1.00 0.00 O ATOM 1187 CB CYS A 82 23.345 14.942 -22.094 1.00 0.00 C ATOM 1188 SG CYS A 82 22.614 14.116 -20.644 1.00 0.00 S ATOM 0 H CYS A 82 21.150 16.695 -21.961 1.00 0.00 H new ATOM 0 HA CYS A 82 22.818 15.502 -24.097 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.045 14.258 -22.573 1.00 0.00 H new ATOM 0 HB3 CYS A 82 23.922 15.803 -21.756 1.00 0.00 H new ATOM 1193 N SER A 83 21.555 13.137 -23.532 1.00 0.00 N ATOM 1194 CA SER A 83 20.563 12.079 -23.672 1.00 0.00 C ATOM 1195 C SER A 83 20.799 10.972 -22.650 1.00 0.00 C ATOM 1196 O SER A 83 21.786 10.242 -22.727 1.00 0.00 O ATOM 1197 CB SER A 83 20.595 11.498 -25.088 1.00 0.00 C ATOM 1198 OG SER A 83 19.894 10.269 -25.153 1.00 0.00 O ATOM 0 H SER A 83 22.520 12.834 -23.664 1.00 0.00 H new ATOM 0 HA SER A 83 19.580 12.514 -23.490 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.153 12.209 -25.786 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.629 11.347 -25.399 1.00 0.00 H new ATOM 0 HG SER A 83 19.969 9.897 -26.056 1.00 0.00 H new ATOM 1204 N THR A 84 19.884 10.852 -21.693 1.00 0.00 N ATOM 1205 CA THR A 84 19.994 9.833 -20.660 1.00 0.00 C ATOM 1206 C THR A 84 19.694 8.449 -21.226 1.00 0.00 C ATOM 1207 O THR A 84 19.972 7.432 -20.591 1.00 0.00 O ATOM 1208 CB THR A 84 19.037 10.115 -19.487 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.727 9.623 -19.791 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.968 11.607 -19.192 1.00 0.00 C ATOM 0 H THR A 84 19.060 11.448 -21.613 1.00 0.00 H new ATOM 0 HA THR A 84 21.020 9.861 -20.293 1.00 0.00 H new ATOM 0 HB THR A 84 19.420 9.602 -18.605 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.130 9.791 -19.032 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.286 11.782 -18.360 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.961 11.972 -18.931 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.607 12.136 -20.074 1.00 0.00 H new ATOM 1218 N THR A 85 19.127 8.421 -22.427 1.00 0.00 N ATOM 1219 CA THR A 85 18.788 7.165 -23.085 1.00 0.00 C ATOM 1220 C THR A 85 19.027 7.254 -24.588 1.00 0.00 C ATOM 1221 O THR A 85 18.547 8.175 -25.250 1.00 0.00 O ATOM 1222 CB THR A 85 17.318 6.776 -22.831 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.141 6.392 -21.462 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.890 5.634 -23.741 1.00 0.00 C ATOM 0 H THR A 85 18.892 9.255 -22.965 1.00 0.00 H new ATOM 0 HA THR A 85 19.436 6.398 -22.660 1.00 0.00 H new ATOM 0 HB THR A 85 16.696 7.644 -23.049 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.204 6.148 -21.309 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.849 5.380 -23.541 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.995 5.939 -24.782 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.519 4.764 -23.553 1.00 0.00 H new ATOM 1232 N SER A 86 19.772 6.293 -25.121 1.00 0.00 N ATOM 1233 CA SER A 86 20.074 6.264 -26.547 1.00 0.00 C ATOM 1234 C SER A 86 18.835 6.605 -27.368 1.00 0.00 C ATOM 1235 O SER A 86 18.906 7.374 -28.327 1.00 0.00 O ATOM 1236 CB SER A 86 20.603 4.886 -26.948 1.00 0.00 C ATOM 1237 OG SER A 86 19.869 4.351 -28.036 1.00 0.00 O ATOM 0 H SER A 86 20.178 5.524 -24.588 1.00 0.00 H new ATOM 0 HA SER A 86 20.841 7.012 -26.749 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.656 4.963 -27.219 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.542 4.208 -26.096 1.00 0.00 H new ATOM 0 HG SER A 86 20.229 3.471 -28.272 1.00 0.00 H new ATOM 1243 N ASN A 87 17.704 6.026 -26.984 1.00 0.00 N ATOM 1244 CA ASN A 87 16.447 6.264 -27.682 1.00 0.00 C ATOM 1245 C ASN A 87 15.778 7.542 -27.192 1.00 0.00 C ATOM 1246 O ASN A 87 14.584 7.549 -26.897 1.00 0.00 O ATOM 1247 CB ASN A 87 15.496 5.085 -27.479 1.00 0.00 C ATOM 1248 CG ASN A 87 15.050 4.465 -28.788 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.528 4.838 -29.860 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.128 3.514 -28.706 1.00 0.00 N ATOM 0 H ASN A 87 17.632 5.387 -26.192 1.00 0.00 H new ATOM 0 HA ASN A 87 16.673 6.373 -28.743 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.988 4.326 -26.871 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.621 5.420 -26.923 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.787 3.060 -29.553 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.760 3.237 -27.796 1.00 0.00 H new ATOM 1257 N TYR A 88 16.544 8.623 -27.117 1.00 0.00 N ATOM 1258 CA TYR A 88 15.998 9.895 -26.674 1.00 0.00 C ATOM 1259 C TYR A 88 15.019 10.419 -27.714 1.00 0.00 C ATOM 1260 O TYR A 88 14.090 11.161 -27.396 1.00 0.00 O ATOM 1261 CB TYR A 88 17.120 10.911 -26.440 1.00 0.00 C ATOM 1262 CG TYR A 88 16.697 12.344 -26.669 1.00 0.00 C ATOM 1263 CD1 TYR A 88 15.991 13.044 -25.701 1.00 0.00 C ATOM 1264 CD2 TYR A 88 16.994 12.992 -27.860 1.00 0.00 C ATOM 1265 CE1 TYR A 88 15.597 14.351 -25.910 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.604 14.299 -28.079 1.00 0.00 C ATOM 1267 CZ TYR A 88 15.905 14.974 -27.100 1.00 0.00 C ATOM 1268 OH TYR A 88 15.513 16.275 -27.313 1.00 0.00 O ATOM 0 H TYR A 88 17.536 8.643 -27.355 1.00 0.00 H new ATOM 0 HA TYR A 88 15.473 9.745 -25.730 1.00 0.00 H new ATOM 0 HB2 TYR A 88 17.485 10.808 -25.418 1.00 0.00 H new ATOM 0 HB3 TYR A 88 17.954 10.677 -27.101 1.00 0.00 H new ATOM 0 HD1 TYR A 88 15.745 12.558 -24.768 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.540 12.465 -28.629 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.050 14.882 -25.145 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.845 14.789 -29.011 1.00 0.00 H new ATOM 0 HH TYR A 88 15.810 16.565 -28.201 1.00 0.00 H new ATOM 1278 N GLU A 89 15.242 10.022 -28.960 1.00 0.00 N ATOM 1279 CA GLU A 89 14.388 10.443 -30.055 1.00 0.00 C ATOM 1280 C GLU A 89 13.005 9.816 -29.927 1.00 0.00 C ATOM 1281 O GLU A 89 12.062 10.225 -30.603 1.00 0.00 O ATOM 1282 CB GLU A 89 15.016 10.062 -31.397 1.00 0.00 C ATOM 1283 CG GLU A 89 16.353 10.736 -31.656 1.00 0.00 C ATOM 1284 CD GLU A 89 17.464 9.741 -31.931 1.00 0.00 C ATOM 1285 OE1 GLU A 89 17.304 8.910 -32.849 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.494 9.793 -31.226 1.00 0.00 O ATOM 0 H GLU A 89 16.009 9.408 -29.234 1.00 0.00 H new ATOM 0 HA GLU A 89 14.284 11.527 -30.011 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.151 8.981 -31.432 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.326 10.323 -32.199 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.257 11.411 -32.506 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.622 11.346 -30.793 1.00 0.00 H new ATOM 1293 N GLN A 90 12.895 8.818 -29.055 1.00 0.00 N ATOM 1294 CA GLN A 90 11.627 8.131 -28.840 1.00 0.00 C ATOM 1295 C GLN A 90 11.189 8.253 -27.387 1.00 0.00 C ATOM 1296 O GLN A 90 10.020 8.506 -27.096 1.00 0.00 O ATOM 1297 CB GLN A 90 11.755 6.663 -29.236 1.00 0.00 C ATOM 1298 CG GLN A 90 12.901 6.406 -30.193 1.00 0.00 C ATOM 1299 CD GLN A 90 12.965 4.965 -30.658 1.00 0.00 C ATOM 1300 OE1 GLN A 90 12.257 4.102 -30.138 1.00 0.00 O ATOM 1301 NE2 GLN A 90 13.814 4.696 -31.643 1.00 0.00 N ATOM 0 H GLN A 90 13.667 8.468 -28.487 1.00 0.00 H new ATOM 0 HA GLN A 90 10.867 8.600 -29.465 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.897 6.061 -28.338 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.823 6.334 -29.697 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.798 7.059 -31.060 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.841 6.668 -29.707 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.382 5.442 -32.045 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.898 3.743 -31.998 1.00 0.00 H new ATOM 1310 N ASP A 91 12.139 8.081 -26.478 1.00 0.00 N ATOM 1311 CA ASP A 91 11.859 8.182 -25.052 1.00 0.00 C ATOM 1312 C ASP A 91 11.804 9.644 -24.629 1.00 0.00 C ATOM 1313 O ASP A 91 11.063 10.013 -23.718 1.00 0.00 O ATOM 1314 CB ASP A 91 12.926 7.442 -24.242 1.00 0.00 C ATOM 1315 CG ASP A 91 12.325 6.458 -23.257 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.978 5.334 -23.677 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.201 6.812 -22.066 1.00 0.00 O ATOM 0 H ASP A 91 13.111 7.871 -26.703 1.00 0.00 H new ATOM 0 HA ASP A 91 10.891 7.720 -24.857 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.591 6.910 -24.923 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.535 8.166 -23.702 1.00 0.00 H new ATOM 1322 N GLN A 92 12.590 10.474 -25.307 1.00 0.00 N ATOM 1323 CA GLN A 92 12.634 11.901 -25.013 1.00 0.00 C ATOM 1324 C GLN A 92 13.199 12.162 -23.620 1.00 0.00 C ATOM 1325 O GLN A 92 12.802 13.113 -22.947 1.00 0.00 O ATOM 1326 CB GLN A 92 11.235 12.509 -25.129 1.00 0.00 C ATOM 1327 CG GLN A 92 10.880 12.953 -26.538 1.00 0.00 C ATOM 1328 CD GLN A 92 11.713 14.131 -27.005 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.664 14.537 -26.338 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.357 14.689 -28.156 1.00 0.00 N ATOM 0 H GLN A 92 13.206 10.182 -26.065 1.00 0.00 H new ATOM 0 HA GLN A 92 13.293 12.372 -25.742 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.501 11.777 -24.792 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.163 13.365 -24.458 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.021 12.118 -27.224 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.824 13.222 -26.575 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.561 14.320 -28.677 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.879 15.486 -28.519 1.00 0.00 H new ATOM 1339 N LYS A 93 14.132 11.316 -23.195 1.00 0.00 N ATOM 1340 CA LYS A 93 14.755 11.464 -21.883 1.00 0.00 C ATOM 1341 C LYS A 93 16.072 12.221 -21.997 1.00 0.00 C ATOM 1342 O LYS A 93 17.116 11.634 -22.281 1.00 0.00 O ATOM 1343 CB LYS A 93 14.992 10.091 -21.249 1.00 0.00 C ATOM 1344 CG LYS A 93 13.764 9.523 -20.559 1.00 0.00 C ATOM 1345 CD LYS A 93 12.489 9.914 -21.288 1.00 0.00 C ATOM 1346 CE LYS A 93 11.283 9.165 -20.747 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.439 10.026 -19.873 1.00 0.00 N ATOM 0 H LYS A 93 14.473 10.523 -23.738 1.00 0.00 H new ATOM 0 HA LYS A 93 14.080 12.035 -21.246 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.320 9.395 -22.021 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.803 10.169 -20.525 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.840 8.437 -20.513 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.723 9.884 -19.531 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.326 10.987 -21.188 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.600 9.706 -22.352 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.684 8.794 -21.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.619 8.295 -20.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.627 9.477 -19.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.003 10.360 -19.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.096 10.843 -20.417 1.00 0.00 H new ATOM 1361 N TYR A 94 16.013 13.532 -21.788 1.00 0.00 N ATOM 1362 CA TYR A 94 17.199 14.372 -21.881 1.00 0.00 C ATOM 1363 C TYR A 94 17.447 15.139 -20.586 1.00 0.00 C ATOM 1364 O TYR A 94 16.553 15.287 -19.754 1.00 0.00 O ATOM 1365 CB TYR A 94 17.053 15.357 -23.040 1.00 0.00 C ATOM 1366 CG TYR A 94 16.284 16.608 -22.677 1.00 0.00 C ATOM 1367 CD1 TYR A 94 16.856 17.590 -21.876 1.00 0.00 C ATOM 1368 CD2 TYR A 94 14.988 16.809 -23.136 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.157 18.734 -21.541 1.00 0.00 C ATOM 1370 CE2 TYR A 94 14.283 17.951 -22.806 1.00 0.00 C ATOM 1371 CZ TYR A 94 14.872 18.910 -22.009 1.00 0.00 C ATOM 1372 OH TYR A 94 14.173 20.049 -21.678 1.00 0.00 O ATOM 0 H TYR A 94 15.157 14.034 -21.553 1.00 0.00 H new ATOM 0 HA TYR A 94 18.054 13.719 -22.058 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.045 15.640 -23.393 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.550 14.859 -23.869 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.863 17.457 -21.510 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.524 16.060 -23.761 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.615 19.486 -20.916 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.276 18.092 -23.170 1.00 0.00 H new ATOM 0 HH TYR A 94 13.284 20.018 -22.089 1.00 0.00 H new ATOM 1382 N SER A 95 18.671 15.634 -20.438 1.00 0.00 N ATOM 1383 CA SER A 95 19.058 16.403 -19.262 1.00 0.00 C ATOM 1384 C SER A 95 19.727 17.705 -19.690 1.00 0.00 C ATOM 1385 O SER A 95 19.923 17.944 -20.881 1.00 0.00 O ATOM 1386 CB SER A 95 20.007 15.588 -18.383 1.00 0.00 C ATOM 1387 OG SER A 95 20.408 14.394 -19.033 1.00 0.00 O ATOM 0 H SER A 95 19.417 15.515 -21.124 1.00 0.00 H new ATOM 0 HA SER A 95 18.164 16.636 -18.684 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.885 16.186 -18.140 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.516 15.345 -17.441 1.00 0.00 H new ATOM 0 HG SER A 95 21.274 14.534 -19.469 1.00 0.00 H new ATOM 1393 N PHE A 96 20.075 18.547 -18.723 1.00 0.00 N ATOM 1394 CA PHE A 96 20.720 19.818 -19.028 1.00 0.00 C ATOM 1395 C PHE A 96 22.164 19.832 -18.545 1.00 0.00 C ATOM 1396 O PHE A 96 22.653 18.854 -17.981 1.00 0.00 O ATOM 1397 CB PHE A 96 19.950 20.976 -18.393 1.00 0.00 C ATOM 1398 CG PHE A 96 18.860 21.521 -19.270 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.058 21.666 -20.634 1.00 0.00 C ATOM 1400 CD2 PHE A 96 17.638 21.888 -18.732 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.058 22.167 -21.444 1.00 0.00 C ATOM 1402 CE2 PHE A 96 16.633 22.391 -19.537 1.00 0.00 C ATOM 1403 CZ PHE A 96 16.844 22.529 -20.895 1.00 0.00 C ATOM 0 H PHE A 96 19.923 18.374 -17.729 1.00 0.00 H new ATOM 0 HA PHE A 96 20.718 19.939 -20.111 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.515 20.640 -17.452 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.648 21.778 -18.153 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.006 21.384 -21.069 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.468 21.780 -17.671 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.225 22.275 -22.505 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.685 22.675 -19.105 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.060 22.920 -21.527 1.00 0.00 H new ATOM 1413 N CYS A 97 22.840 20.952 -18.771 1.00 0.00 N ATOM 1414 CA CYS A 97 24.231 21.110 -18.362 1.00 0.00 C ATOM 1415 C CYS A 97 24.595 22.587 -18.268 1.00 0.00 C ATOM 1416 O CYS A 97 24.322 23.361 -19.184 1.00 0.00 O ATOM 1417 CB CYS A 97 25.171 20.414 -19.350 1.00 0.00 C ATOM 1418 SG CYS A 97 24.530 18.856 -20.042 1.00 0.00 S ATOM 0 H CYS A 97 22.445 21.768 -19.238 1.00 0.00 H new ATOM 0 HA CYS A 97 24.346 20.649 -17.381 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.386 21.099 -20.170 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.117 20.211 -18.849 1.00 0.00 H new ATOM 1423 N THR A 98 25.216 22.971 -17.159 1.00 0.00 N ATOM 1424 CA THR A 98 25.617 24.358 -16.955 1.00 0.00 C ATOM 1425 C THR A 98 27.024 24.605 -17.490 1.00 0.00 C ATOM 1426 O THR A 98 27.626 25.646 -17.226 1.00 0.00 O ATOM 1427 CB THR A 98 25.569 24.748 -15.467 1.00 0.00 C ATOM 1428 OG1 THR A 98 26.351 25.927 -15.242 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.090 23.615 -14.597 1.00 0.00 C ATOM 0 H THR A 98 25.452 22.344 -16.390 1.00 0.00 H new ATOM 0 HA THR A 98 24.907 24.976 -17.504 1.00 0.00 H new ATOM 0 HB THR A 98 24.531 24.946 -15.199 1.00 0.00 H new ATOM 0 HG1 THR A 98 26.569 26.344 -16.102 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.047 23.912 -13.549 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.475 22.728 -14.748 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.122 23.392 -14.869 1.00 0.00 H new