USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 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 84 THR OG1 : rot -170:sc= -2.15! USER MOD Set 1.2: A 85 THR OG1 : rot -174:sc= 0.322 USER MOD Set 2.1: A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -1.79 X(o=-1.9,f=-1.7) USER MOD Set 3.2: A 13 SER OG : rot -77:sc= -0.112 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -127:sc= 0.167! USER MOD Single : A 16 MET CE :methyl 148:sc= -4.17! (180deg=-5.25!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -4.3! USER MOD Single : A 34 ASN : amide:sc= -5.69! C(o=-5.7!,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= 0 X(o=0,f=-0.13) USER MOD Single : A 46 THR OG1 : rot 46:sc= 0.0225 USER MOD Single : A 47 TYR OH : rot -17:sc= -0.368 USER MOD Single : A 51 SER OG : rot 73:sc= 0.917 USER MOD Single : A 52 ASN : amide:sc= -2.19! C(o=-2.2!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.24) 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 68:sc= 0.634 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.7) USER MOD Single : A 83 SER OG : rot 148:sc= -0.0967 USER MOD Single : A 86 SER OG : rot 180:sc= -0.164 USER MOD Single : A 87 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0.0168 (180deg=0.00811) USER MOD Single : A 95 SER OG : rot 121:sc= 1.2 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.739 7.217 -41.601 1.00 0.00 N ATOM 32 CA HIS A 3 45.993 6.382 -40.667 1.00 0.00 C ATOM 33 C HIS A 3 46.356 6.726 -39.227 1.00 0.00 C ATOM 34 O HIS A 3 47.495 7.086 -38.932 1.00 0.00 O ATOM 35 CB HIS A 3 46.281 4.906 -40.939 1.00 0.00 C ATOM 36 CG HIS A 3 45.193 4.212 -41.698 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.120 4.210 -43.076 1.00 0.00 N ATOM 38 CD2 HIS A 3 44.131 3.493 -41.266 1.00 0.00 C ATOM 39 CE1 HIS A 3 44.061 3.520 -43.458 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.444 3.073 -42.379 1.00 0.00 N ATOM 0 HA HIS A 3 44.929 6.572 -40.810 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.212 4.824 -41.499 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.434 4.393 -39.989 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.872 3.288 -40.238 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.752 3.350 -44.479 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.595 2.508 -42.373 1.00 0.00 H new ATOM 49 N CYS A 4 45.380 6.615 -38.331 1.00 0.00 N ATOM 50 CA CYS A 4 45.602 6.916 -36.920 1.00 0.00 C ATOM 51 C CYS A 4 45.396 5.671 -36.064 1.00 0.00 C ATOM 52 O CYS A 4 44.324 5.072 -36.074 1.00 0.00 O ATOM 53 CB CYS A 4 44.659 8.030 -36.462 1.00 0.00 C ATOM 54 SG CYS A 4 43.060 8.050 -37.344 1.00 0.00 S ATOM 0 H CYS A 4 44.430 6.320 -38.556 1.00 0.00 H new ATOM 0 HA CYS A 4 46.632 7.252 -36.799 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.473 7.920 -35.394 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.153 8.992 -36.602 1.00 0.00 H new ATOM 59 N VAL A 5 46.432 5.283 -35.330 1.00 0.00 N ATOM 60 CA VAL A 5 46.360 4.103 -34.475 1.00 0.00 C ATOM 61 C VAL A 5 47.017 4.361 -33.123 1.00 0.00 C ATOM 62 O VAL A 5 48.075 4.985 -33.043 1.00 0.00 O ATOM 63 CB VAL A 5 47.034 2.888 -35.144 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.547 2.969 -35.008 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.504 1.590 -34.553 1.00 0.00 C ATOM 0 H VAL A 5 47.330 5.766 -35.309 1.00 0.00 H new ATOM 0 HA VAL A 5 45.303 3.884 -34.321 1.00 0.00 H new ATOM 0 HB VAL A 5 46.790 2.902 -36.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.002 2.102 -35.487 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.907 3.879 -35.487 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.817 2.984 -33.952 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.991 0.744 -35.038 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.713 1.565 -33.483 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.428 1.530 -34.714 1.00 0.00 H new ATOM 75 N THR A 6 46.381 3.875 -32.061 1.00 0.00 N ATOM 76 CA THR A 6 46.902 4.052 -30.710 1.00 0.00 C ATOM 77 C THR A 6 47.945 2.990 -30.376 1.00 0.00 C ATOM 78 O THR A 6 48.578 3.039 -29.321 1.00 0.00 O ATOM 79 CB THR A 6 45.775 3.995 -29.661 1.00 0.00 C ATOM 80 OG1 THR A 6 45.102 2.732 -29.731 1.00 0.00 O ATOM 81 CG2 THR A 6 44.775 5.120 -29.878 1.00 0.00 C ATOM 0 H THR A 6 45.504 3.356 -32.110 1.00 0.00 H new ATOM 0 HA THR A 6 47.369 5.037 -30.680 1.00 0.00 H new ATOM 0 HB THR A 6 46.223 4.113 -28.674 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.389 2.704 -29.060 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.989 5.058 -29.125 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.284 6.080 -29.794 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.334 5.029 -30.871 1.00 0.00 H new ATOM 89 N ASP A 7 48.120 2.030 -31.278 1.00 0.00 N ATOM 90 CA ASP A 7 49.088 0.958 -31.073 1.00 0.00 C ATOM 91 C ASP A 7 48.492 -0.167 -30.231 1.00 0.00 C ATOM 92 O ASP A 7 49.129 -1.199 -30.016 1.00 0.00 O ATOM 93 CB ASP A 7 50.346 1.504 -30.396 1.00 0.00 C ATOM 94 CG ASP A 7 51.546 0.597 -30.587 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.396 -0.631 -30.413 1.00 0.00 O ATOM 96 OD2 ASP A 7 52.635 1.114 -30.911 1.00 0.00 O ATOM 0 H ASP A 7 47.605 1.972 -32.157 1.00 0.00 H new ATOM 0 HA ASP A 7 49.353 0.552 -32.049 1.00 0.00 H new ATOM 0 HB2 ASP A 7 50.573 2.491 -30.799 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.156 1.631 -29.330 1.00 0.00 H new ATOM 101 N SER A 8 47.266 0.036 -29.756 1.00 0.00 N ATOM 102 CA SER A 8 46.589 -0.965 -28.938 1.00 0.00 C ATOM 103 C SER A 8 45.799 -1.939 -29.808 1.00 0.00 C ATOM 104 O SER A 8 45.530 -3.069 -29.402 1.00 0.00 O ATOM 105 CB SER A 8 45.655 -0.286 -27.935 1.00 0.00 C ATOM 106 OG SER A 8 46.264 -0.179 -26.660 1.00 0.00 O ATOM 0 H SER A 8 46.722 0.883 -29.923 1.00 0.00 H new ATOM 0 HA SER A 8 47.349 -1.527 -28.395 1.00 0.00 H new ATOM 0 HB2 SER A 8 45.387 0.706 -28.298 1.00 0.00 H new ATOM 0 HB3 SER A 8 44.729 -0.856 -27.852 1.00 0.00 H new ATOM 0 HG SER A 8 45.647 0.260 -26.038 1.00 0.00 H new ATOM 112 N GLY A 9 45.432 -1.492 -31.004 1.00 0.00 N ATOM 113 CA GLY A 9 44.677 -2.338 -31.912 1.00 0.00 C ATOM 114 C GLY A 9 43.647 -1.560 -32.706 1.00 0.00 C ATOM 115 O GLY A 9 43.101 -2.063 -33.688 1.00 0.00 O ATOM 0 H GLY A 9 45.643 -0.560 -31.361 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.364 -2.832 -32.599 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.177 -3.121 -31.343 1.00 0.00 H new ATOM 119 N VAL A 10 43.381 -0.329 -32.282 1.00 0.00 N ATOM 120 CA VAL A 10 42.410 0.520 -32.962 1.00 0.00 C ATOM 121 C VAL A 10 43.062 1.285 -34.108 1.00 0.00 C ATOM 122 O VAL A 10 43.706 2.312 -33.896 1.00 0.00 O ATOM 123 CB VAL A 10 41.759 1.527 -31.993 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.287 1.711 -32.328 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.931 1.074 -30.550 1.00 0.00 C ATOM 0 H VAL A 10 43.824 0.103 -31.471 1.00 0.00 H new ATOM 0 HA VAL A 10 41.637 -0.139 -33.357 1.00 0.00 H new ATOM 0 HB VAL A 10 42.260 2.488 -32.108 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.843 2.425 -31.635 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.190 2.086 -33.347 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.772 0.754 -32.243 1.00 0.00 H new ATOM 0 HG21 VAL A 10 41.464 1.799 -29.883 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.459 0.101 -30.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.993 0.998 -30.317 1.00 0.00 H new ATOM 135 N VAL A 11 42.891 0.776 -35.323 1.00 0.00 N ATOM 136 CA VAL A 11 43.462 1.408 -36.505 1.00 0.00 C ATOM 137 C VAL A 11 42.499 2.424 -37.108 1.00 0.00 C ATOM 138 O VAL A 11 41.807 2.137 -38.084 1.00 0.00 O ATOM 139 CB VAL A 11 43.831 0.371 -37.579 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.765 0.983 -38.610 1.00 0.00 C ATOM 141 CG2 VAL A 11 44.460 -0.859 -36.940 1.00 0.00 C ATOM 0 H VAL A 11 42.361 -0.074 -35.515 1.00 0.00 H new ATOM 0 HA VAL A 11 44.368 1.918 -36.178 1.00 0.00 H new ATOM 0 HB VAL A 11 42.919 0.060 -38.088 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.016 0.236 -39.363 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.273 1.830 -39.089 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.676 1.323 -38.119 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.715 -1.582 -37.715 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.363 -0.569 -36.404 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.753 -1.309 -36.243 1.00 0.00 H new ATOM 151 N TYR A 12 42.472 3.615 -36.524 1.00 0.00 N ATOM 152 CA TYR A 12 41.605 4.684 -37.003 1.00 0.00 C ATOM 153 C TYR A 12 42.102 5.214 -38.343 1.00 0.00 C ATOM 154 O TYR A 12 43.056 4.689 -38.915 1.00 0.00 O ATOM 155 CB TYR A 12 41.559 5.828 -35.988 1.00 0.00 C ATOM 156 CG TYR A 12 40.962 5.443 -34.657 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.596 5.242 -34.516 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.771 5.282 -33.541 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.052 4.889 -33.295 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.236 4.928 -32.318 1.00 0.00 C ATOM 161 CZ TYR A 12 39.876 4.732 -32.200 1.00 0.00 C ATOM 162 OH TYR A 12 39.338 4.380 -30.984 1.00 0.00 O ATOM 0 H TYR A 12 43.042 3.866 -35.716 1.00 0.00 H new ATOM 0 HA TYR A 12 40.602 4.277 -37.130 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.571 6.198 -35.827 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.982 6.651 -36.409 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.949 5.363 -35.372 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.836 5.436 -33.630 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.987 4.737 -33.199 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.879 4.805 -31.459 1.00 0.00 H new ATOM 0 HH TYR A 12 39.636 5.014 -30.299 1.00 0.00 H new ATOM 172 N SER A 13 41.455 6.263 -38.831 1.00 0.00 N ATOM 173 CA SER A 13 41.833 6.875 -40.096 1.00 0.00 C ATOM 174 C SER A 13 41.655 8.387 -40.038 1.00 0.00 C ATOM 175 O SER A 13 40.730 8.889 -39.399 1.00 0.00 O ATOM 176 CB SER A 13 41.007 6.288 -41.239 1.00 0.00 C ATOM 177 OG SER A 13 41.542 5.048 -41.670 1.00 0.00 O ATOM 0 H SER A 13 40.663 6.709 -38.368 1.00 0.00 H new ATOM 0 HA SER A 13 42.886 6.660 -40.279 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.976 6.149 -40.913 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.986 6.989 -42.074 1.00 0.00 H new ATOM 0 HG SER A 13 42.338 5.208 -42.219 1.00 0.00 H new ATOM 183 N VAL A 14 42.553 9.105 -40.705 1.00 0.00 N ATOM 184 CA VAL A 14 42.516 10.563 -40.733 1.00 0.00 C ATOM 185 C VAL A 14 41.087 11.095 -40.650 1.00 0.00 C ATOM 186 O VAL A 14 40.435 11.319 -41.671 1.00 0.00 O ATOM 187 CB VAL A 14 43.185 11.108 -42.009 1.00 0.00 C ATOM 188 CG1 VAL A 14 42.729 10.321 -43.228 1.00 0.00 C ATOM 189 CG2 VAL A 14 42.892 12.591 -42.182 1.00 0.00 C ATOM 0 H VAL A 14 43.321 8.697 -41.237 1.00 0.00 H new ATOM 0 HA VAL A 14 43.068 10.908 -39.858 1.00 0.00 H new ATOM 0 HB VAL A 14 44.264 10.988 -41.908 1.00 0.00 H new ATOM 0 HG11 VAL A 14 43.212 10.720 -44.120 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.001 9.272 -43.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.647 10.406 -43.332 1.00 0.00 H new ATOM 0 HG21 VAL A 14 43.375 12.954 -43.090 1.00 0.00 H new ATOM 0 HG22 VAL A 14 41.815 12.743 -42.258 1.00 0.00 H new ATOM 0 HG23 VAL A 14 43.276 13.140 -41.322 1.00 0.00 H new ATOM 199 N GLY A 15 40.611 11.305 -39.426 1.00 0.00 N ATOM 200 CA GLY A 15 39.269 11.821 -39.225 1.00 0.00 C ATOM 201 C GLY A 15 38.297 10.771 -38.722 1.00 0.00 C ATOM 202 O GLY A 15 37.161 10.695 -39.189 1.00 0.00 O ATOM 0 H GLY A 15 41.133 11.126 -38.568 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.306 12.645 -38.512 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.899 12.230 -40.165 1.00 0.00 H new ATOM 206 N MET A 16 38.739 9.966 -37.763 1.00 0.00 N ATOM 207 CA MET A 16 37.893 8.924 -37.192 1.00 0.00 C ATOM 208 C MET A 16 37.797 9.076 -35.678 1.00 0.00 C ATOM 209 O MET A 16 37.985 8.117 -34.930 1.00 0.00 O ATOM 210 CB MET A 16 38.438 7.541 -37.546 1.00 0.00 C ATOM 211 CG MET A 16 38.349 7.215 -39.029 1.00 0.00 C ATOM 212 SD MET A 16 37.593 5.609 -39.345 1.00 0.00 S ATOM 213 CE MET A 16 38.627 4.544 -38.343 1.00 0.00 C ATOM 0 H MET A 16 39.677 10.014 -37.365 1.00 0.00 H new ATOM 0 HA MET A 16 36.894 9.028 -37.615 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.479 7.478 -37.230 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.888 6.787 -36.983 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.771 7.989 -39.533 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.350 7.232 -39.461 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.034 3.711 -37.966 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.448 4.160 -38.948 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.030 5.112 -37.504 1.00 0.00 H new ATOM 223 N GLN A 17 37.503 10.296 -35.238 1.00 0.00 N ATOM 224 CA GLN A 17 37.379 10.599 -33.816 1.00 0.00 C ATOM 225 C GLN A 17 36.825 9.408 -33.040 1.00 0.00 C ATOM 226 O GLN A 17 35.949 8.691 -33.524 1.00 0.00 O ATOM 227 CB GLN A 17 36.465 11.811 -33.620 1.00 0.00 C ATOM 228 CG GLN A 17 37.021 12.845 -32.657 1.00 0.00 C ATOM 229 CD GLN A 17 35.977 13.357 -31.684 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.913 13.825 -32.087 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.278 13.269 -30.393 1.00 0.00 N ATOM 0 H GLN A 17 37.345 11.096 -35.851 1.00 0.00 H new ATOM 0 HA GLN A 17 38.374 10.822 -33.432 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.291 12.284 -34.587 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.497 11.469 -33.253 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.849 12.408 -32.099 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.426 13.683 -33.224 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.173 12.874 -30.104 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.614 13.597 -29.691 1.00 0.00 H new ATOM 240 N TRP A 18 37.335 9.208 -31.827 1.00 0.00 N ATOM 241 CA TRP A 18 36.880 8.110 -30.980 1.00 0.00 C ATOM 242 C TRP A 18 36.850 8.527 -29.511 1.00 0.00 C ATOM 243 O TRP A 18 37.066 9.694 -29.179 1.00 0.00 O ATOM 244 CB TRP A 18 37.761 6.876 -31.168 1.00 0.00 C ATOM 245 CG TRP A 18 39.157 7.052 -30.666 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.600 6.870 -29.387 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.298 7.445 -31.435 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.945 7.116 -29.317 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.399 7.477 -30.561 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.496 7.773 -32.780 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.680 7.824 -30.990 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.764 8.117 -33.203 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.842 8.141 -32.310 1.00 0.00 C ATOM 0 H TRP A 18 38.061 9.790 -31.410 1.00 0.00 H new ATOM 0 HA TRP A 18 35.864 7.855 -31.282 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.303 6.032 -30.653 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.795 6.623 -32.228 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.980 6.575 -28.553 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.517 7.043 -28.476 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.670 7.757 -33.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.514 7.842 -30.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.927 8.372 -34.240 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.822 8.416 -32.671 1.00 0.00 H new ATOM 264 N LEU A 19 36.564 7.566 -28.639 1.00 0.00 N ATOM 265 CA LEU A 19 36.477 7.828 -27.205 1.00 0.00 C ATOM 266 C LEU A 19 37.589 7.124 -26.446 1.00 0.00 C ATOM 267 O LEU A 19 37.992 6.016 -26.800 1.00 0.00 O ATOM 268 CB LEU A 19 35.119 7.366 -26.668 1.00 0.00 C ATOM 269 CG LEU A 19 34.698 7.981 -25.332 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.467 9.476 -25.482 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.445 7.300 -24.806 1.00 0.00 C ATOM 0 H LEU A 19 36.388 6.596 -28.900 1.00 0.00 H new ATOM 0 HA LEU A 19 36.585 8.902 -27.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.356 7.597 -27.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.140 6.282 -26.559 1.00 0.00 H new ATOM 0 HG LEU A 19 35.503 7.828 -24.613 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.168 9.896 -24.522 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.387 9.955 -25.817 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.680 9.651 -26.215 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.159 7.749 -23.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.635 7.424 -25.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.642 6.238 -24.661 1.00 0.00 H new ATOM 283 N LYS A 20 38.077 7.769 -25.396 1.00 0.00 N ATOM 284 CA LYS A 20 39.141 7.193 -24.587 1.00 0.00 C ATOM 285 C LYS A 20 38.726 7.112 -23.119 1.00 0.00 C ATOM 286 O LYS A 20 37.924 7.917 -22.646 1.00 0.00 O ATOM 287 CB LYS A 20 40.419 8.014 -24.742 1.00 0.00 C ATOM 288 CG LYS A 20 41.682 7.244 -24.400 1.00 0.00 C ATOM 289 CD LYS A 20 42.253 6.543 -25.620 1.00 0.00 C ATOM 290 CE LYS A 20 41.731 5.120 -25.738 1.00 0.00 C ATOM 291 NZ LYS A 20 42.819 4.154 -26.054 1.00 0.00 N ATOM 0 H LYS A 20 37.755 8.686 -25.086 1.00 0.00 H new ATOM 0 HA LYS A 20 39.332 6.178 -24.937 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.489 8.372 -25.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.355 8.894 -24.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.426 7.927 -23.990 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.463 6.509 -23.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.993 7.103 -26.518 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.341 6.529 -25.557 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.249 4.831 -24.804 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.969 5.076 -26.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.422 3.195 -26.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.262 4.414 -26.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.534 4.177 -25.299 1.00 0.00 H new ATOM 379 N GLN A 26 38.548 9.829 -17.914 1.00 0.00 N ATOM 380 CA GLN A 26 37.812 10.002 -19.162 1.00 0.00 C ATOM 381 C GLN A 26 38.598 10.880 -20.128 1.00 0.00 C ATOM 382 O GLN A 26 39.075 11.953 -19.759 1.00 0.00 O ATOM 383 CB GLN A 26 36.441 10.626 -18.893 1.00 0.00 C ATOM 384 CG GLN A 26 35.276 9.699 -19.203 1.00 0.00 C ATOM 385 CD GLN A 26 34.506 10.127 -20.439 1.00 0.00 C ATOM 386 OE1 GLN A 26 35.061 10.197 -21.536 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.222 10.415 -20.266 1.00 0.00 N ATOM 0 HA GLN A 26 37.671 9.020 -19.613 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.387 10.925 -17.846 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.341 11.533 -19.490 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.650 8.685 -19.345 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.600 9.672 -18.349 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.804 10.343 -19.339 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.654 10.708 -21.061 1.00 0.00 H new ATOM 396 N MET A 27 38.731 10.420 -21.367 1.00 0.00 N ATOM 397 CA MET A 27 39.460 11.167 -22.382 1.00 0.00 C ATOM 398 C MET A 27 38.953 10.824 -23.778 1.00 0.00 C ATOM 399 O MET A 27 38.449 9.727 -24.012 1.00 0.00 O ATOM 400 CB MET A 27 40.961 10.878 -22.279 1.00 0.00 C ATOM 401 CG MET A 27 41.836 12.064 -22.653 1.00 0.00 C ATOM 402 SD MET A 27 43.106 11.637 -23.858 1.00 0.00 S ATOM 403 CE MET A 27 44.177 10.597 -22.868 1.00 0.00 C ATOM 0 H MET A 27 38.343 9.534 -21.691 1.00 0.00 H new ATOM 0 HA MET A 27 39.292 12.230 -22.208 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.195 10.572 -21.259 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.206 10.037 -22.928 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.210 12.859 -23.057 1.00 0.00 H new ATOM 0 HG3 MET A 27 42.311 12.458 -21.754 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.014 10.253 -23.476 1.00 0.00 H new ATOM 0 HE2 MET A 27 44.555 11.167 -22.020 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.615 9.737 -22.505 1.00 0.00 H new ATOM 413 N LEU A 28 39.105 11.767 -24.700 1.00 0.00 N ATOM 414 CA LEU A 28 38.678 11.575 -26.082 1.00 0.00 C ATOM 415 C LEU A 28 39.882 11.713 -26.984 1.00 0.00 C ATOM 416 O LEU A 28 40.887 12.276 -26.577 1.00 0.00 O ATOM 417 CB LEU A 28 37.623 12.611 -26.473 1.00 0.00 C ATOM 418 CG LEU A 28 36.288 12.523 -25.731 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.177 12.126 -26.682 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.357 11.556 -24.561 1.00 0.00 C ATOM 0 H LEU A 28 39.524 12.678 -24.514 1.00 0.00 H new ATOM 0 HA LEU A 28 38.238 10.583 -26.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.041 13.605 -26.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.429 12.517 -27.541 1.00 0.00 H new ATOM 0 HG LEU A 28 36.071 13.512 -25.328 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.235 12.068 -26.137 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.093 12.870 -27.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.403 11.154 -27.120 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.390 11.522 -24.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.612 10.561 -24.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.119 11.891 -23.857 1.00 0.00 H new ATOM 432 N CYS A 29 39.800 11.206 -28.199 1.00 0.00 N ATOM 433 CA CYS A 29 40.938 11.304 -29.103 1.00 0.00 C ATOM 434 C CYS A 29 40.510 11.516 -30.544 1.00 0.00 C ATOM 435 O CYS A 29 39.573 10.885 -31.032 1.00 0.00 O ATOM 436 CB CYS A 29 41.805 10.053 -28.990 1.00 0.00 C ATOM 437 SG CYS A 29 42.951 10.068 -27.573 1.00 0.00 S ATOM 0 H CYS A 29 38.981 10.733 -28.580 1.00 0.00 H new ATOM 0 HA CYS A 29 41.517 12.178 -28.805 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.157 9.181 -28.910 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.381 9.939 -29.908 1.00 0.00 H new ATOM 442 N THR A 30 41.220 12.409 -31.222 1.00 0.00 N ATOM 443 CA THR A 30 40.934 12.711 -32.619 1.00 0.00 C ATOM 444 C THR A 30 42.206 12.709 -33.450 1.00 0.00 C ATOM 445 O THR A 30 43.237 13.225 -33.024 1.00 0.00 O ATOM 446 CB THR A 30 40.256 14.085 -32.784 1.00 0.00 C ATOM 447 OG1 THR A 30 39.096 14.167 -31.948 1.00 0.00 O ATOM 448 CG2 THR A 30 39.864 14.322 -34.239 1.00 0.00 C ATOM 0 H THR A 30 41.998 12.937 -30.827 1.00 0.00 H new ATOM 0 HA THR A 30 40.256 11.931 -32.967 1.00 0.00 H new ATOM 0 HB THR A 30 40.967 14.855 -32.486 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.674 15.044 -32.059 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.387 15.298 -34.333 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.755 14.292 -34.866 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.169 13.546 -34.560 1.00 0.00 H new ATOM 456 N CYS A 31 42.125 12.144 -34.645 1.00 0.00 N ATOM 457 CA CYS A 31 43.271 12.102 -35.534 1.00 0.00 C ATOM 458 C CYS A 31 43.024 12.983 -36.748 1.00 0.00 C ATOM 459 O CYS A 31 42.240 12.640 -37.634 1.00 0.00 O ATOM 460 CB CYS A 31 43.581 10.670 -35.963 1.00 0.00 C ATOM 461 SG CYS A 31 42.217 9.813 -36.800 1.00 0.00 S ATOM 0 H CYS A 31 41.281 11.711 -35.018 1.00 0.00 H new ATOM 0 HA CYS A 31 44.138 12.483 -34.994 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.445 10.684 -36.628 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.866 10.095 -35.082 1.00 0.00 H new ATOM 466 N LEU A 32 43.689 14.129 -36.769 1.00 0.00 N ATOM 467 CA LEU A 32 43.538 15.084 -37.858 1.00 0.00 C ATOM 468 C LEU A 32 44.350 14.656 -39.079 1.00 0.00 C ATOM 469 O LEU A 32 43.874 13.883 -39.910 1.00 0.00 O ATOM 470 CB LEU A 32 43.974 16.481 -37.404 1.00 0.00 C ATOM 471 CG LEU A 32 45.042 16.503 -36.306 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.011 17.653 -36.520 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.390 16.600 -34.934 1.00 0.00 C ATOM 0 H LEU A 32 44.341 14.421 -36.041 1.00 0.00 H new ATOM 0 HA LEU A 32 42.485 15.112 -38.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.353 17.025 -38.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.097 17.020 -37.047 1.00 0.00 H new ATOM 0 HG LEU A 32 45.605 15.571 -36.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.761 17.649 -35.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.503 17.539 -37.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.466 18.597 -36.499 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.162 16.615 -34.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.801 17.515 -34.875 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.739 15.739 -34.779 1.00 0.00 H new ATOM 485 N GLY A 33 45.576 15.162 -39.181 1.00 0.00 N ATOM 486 CA GLY A 33 46.427 14.817 -40.305 1.00 0.00 C ATOM 487 C GLY A 33 47.877 14.642 -39.900 1.00 0.00 C ATOM 488 O GLY A 33 48.573 13.771 -40.422 1.00 0.00 O ATOM 0 H GLY A 33 45.994 15.803 -38.507 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.066 13.895 -40.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.356 15.597 -41.064 1.00 0.00 H new ATOM 492 N ASN A 34 48.331 15.470 -38.968 1.00 0.00 N ATOM 493 CA ASN A 34 49.707 15.404 -38.491 1.00 0.00 C ATOM 494 C ASN A 34 49.845 14.372 -37.378 1.00 0.00 C ATOM 495 O ASN A 34 50.865 13.692 -37.272 1.00 0.00 O ATOM 496 CB ASN A 34 50.162 16.776 -37.990 1.00 0.00 C ATOM 497 CG ASN A 34 49.616 17.100 -36.613 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.586 17.759 -36.481 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.309 16.638 -35.578 1.00 0.00 N ATOM 0 H ASN A 34 47.766 16.196 -38.527 1.00 0.00 H new ATOM 0 HA ASN A 34 50.341 15.102 -39.324 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.251 16.806 -37.962 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.840 17.542 -38.695 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.992 16.826 -34.627 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.158 16.095 -35.734 1.00 0.00 H new ATOM 506 N GLY A 35 48.811 14.260 -36.550 1.00 0.00 N ATOM 507 CA GLY A 35 48.841 13.307 -35.456 1.00 0.00 C ATOM 508 C GLY A 35 47.462 13.021 -34.891 1.00 0.00 C ATOM 509 O GLY A 35 46.507 12.813 -35.640 1.00 0.00 O ATOM 0 H GLY A 35 47.955 14.811 -36.617 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.287 12.375 -35.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.482 13.691 -34.662 1.00 0.00 H new ATOM 513 N VAL A 36 47.361 13.014 -33.566 1.00 0.00 N ATOM 514 CA VAL A 36 46.094 12.755 -32.892 1.00 0.00 C ATOM 515 C VAL A 36 45.904 13.711 -31.715 1.00 0.00 C ATOM 516 O VAL A 36 46.689 13.709 -30.767 1.00 0.00 O ATOM 517 CB VAL A 36 46.004 11.283 -32.404 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.132 11.153 -31.160 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.477 10.387 -33.509 1.00 0.00 C ATOM 0 H VAL A 36 48.144 13.185 -32.936 1.00 0.00 H new ATOM 0 HA VAL A 36 45.296 12.923 -33.615 1.00 0.00 H new ATOM 0 HB VAL A 36 47.012 10.965 -32.139 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.094 10.109 -30.850 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.554 11.755 -30.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.124 11.502 -31.384 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.421 9.360 -33.149 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.483 10.722 -33.806 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.148 10.434 -34.367 1.00 0.00 H new ATOM 529 N SER A 37 44.853 14.522 -31.784 1.00 0.00 N ATOM 530 CA SER A 37 44.551 15.480 -30.727 1.00 0.00 C ATOM 531 C SER A 37 43.465 14.938 -29.803 1.00 0.00 C ATOM 532 O SER A 37 42.319 14.760 -30.215 1.00 0.00 O ATOM 533 CB SER A 37 44.107 16.814 -31.329 1.00 0.00 C ATOM 534 OG SER A 37 43.877 17.779 -30.317 1.00 0.00 O ATOM 0 H SER A 37 44.195 14.534 -32.563 1.00 0.00 H new ATOM 0 HA SER A 37 45.457 15.640 -30.143 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.870 17.178 -32.016 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.197 16.669 -31.911 1.00 0.00 H new ATOM 0 HG SER A 37 43.596 18.623 -30.728 1.00 0.00 H new ATOM 540 N CYS A 38 43.835 14.673 -28.555 1.00 0.00 N ATOM 541 CA CYS A 38 42.895 14.145 -27.574 1.00 0.00 C ATOM 542 C CYS A 38 42.487 15.222 -26.575 1.00 0.00 C ATOM 543 O CYS A 38 43.120 16.275 -26.489 1.00 0.00 O ATOM 544 CB CYS A 38 43.521 12.959 -26.841 1.00 0.00 C ATOM 545 SG CYS A 38 44.162 11.656 -27.942 1.00 0.00 S ATOM 0 H CYS A 38 44.780 14.815 -28.199 1.00 0.00 H new ATOM 0 HA CYS A 38 42.000 13.812 -28.099 1.00 0.00 H new ATOM 0 HB2 CYS A 38 44.335 13.322 -26.214 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.776 12.523 -26.175 1.00 0.00 H new ATOM 550 N GLN A 39 41.427 14.952 -25.820 1.00 0.00 N ATOM 551 CA GLN A 39 40.935 15.901 -24.827 1.00 0.00 C ATOM 552 C GLN A 39 40.663 15.208 -23.496 1.00 0.00 C ATOM 553 O GLN A 39 39.790 14.346 -23.401 1.00 0.00 O ATOM 554 CB GLN A 39 39.659 16.578 -25.329 1.00 0.00 C ATOM 555 CG GLN A 39 39.773 18.090 -25.427 1.00 0.00 C ATOM 556 CD GLN A 39 40.279 18.548 -26.779 1.00 0.00 C ATOM 557 OE1 GLN A 39 41.455 18.873 -26.939 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.389 18.575 -27.765 1.00 0.00 N ATOM 0 H GLN A 39 40.893 14.085 -25.876 1.00 0.00 H new ATOM 0 HA GLN A 39 41.705 16.656 -24.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.406 16.176 -26.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.836 16.326 -24.660 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.797 18.538 -25.237 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.446 18.451 -24.649 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.424 18.297 -27.588 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.671 18.874 -28.699 1.00 0.00 H new ATOM 636 N GLN A 45 30.881 24.056 -21.952 1.00 0.00 N ATOM 637 CA GLN A 45 29.778 24.808 -21.367 1.00 0.00 C ATOM 638 C GLN A 45 28.539 24.732 -22.254 1.00 0.00 C ATOM 639 O GLN A 45 28.610 24.298 -23.403 1.00 0.00 O ATOM 640 CB GLN A 45 30.185 26.266 -21.155 1.00 0.00 C ATOM 641 CG GLN A 45 31.602 26.426 -20.627 1.00 0.00 C ATOM 642 CD GLN A 45 31.653 27.150 -19.296 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.047 28.208 -19.128 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.379 26.581 -18.341 1.00 0.00 N ATOM 0 HA GLN A 45 29.537 24.364 -20.401 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.094 26.802 -22.100 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.490 26.732 -20.456 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.058 25.442 -20.518 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.197 26.974 -21.357 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.865 25.703 -18.524 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.451 27.022 -17.424 1.00 0.00 H new ATOM 653 N THR A 46 27.404 25.154 -21.709 1.00 0.00 N ATOM 654 CA THR A 46 26.146 25.130 -22.448 1.00 0.00 C ATOM 655 C THR A 46 25.215 26.243 -21.983 1.00 0.00 C ATOM 656 O THR A 46 24.984 26.408 -20.785 1.00 0.00 O ATOM 657 CB THR A 46 25.425 23.780 -22.279 1.00 0.00 C ATOM 658 OG1 THR A 46 25.440 23.385 -20.901 1.00 0.00 O ATOM 659 CG2 THR A 46 26.082 22.702 -23.126 1.00 0.00 C ATOM 0 H THR A 46 27.328 25.517 -20.759 1.00 0.00 H new ATOM 0 HA THR A 46 26.394 25.278 -23.499 1.00 0.00 H new ATOM 0 HB THR A 46 24.394 23.902 -22.612 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.195 24.150 -20.339 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.554 21.759 -22.988 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.042 22.990 -24.176 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.122 22.583 -22.821 1.00 0.00 H new ATOM 667 N TYR A 47 24.669 26.999 -22.932 1.00 0.00 N ATOM 668 CA TYR A 47 23.753 28.083 -22.590 1.00 0.00 C ATOM 669 C TYR A 47 22.358 27.532 -22.327 1.00 0.00 C ATOM 670 O TYR A 47 21.917 27.455 -21.180 1.00 0.00 O ATOM 671 CB TYR A 47 23.693 29.151 -23.689 1.00 0.00 C ATOM 672 CG TYR A 47 24.579 28.885 -24.886 1.00 0.00 C ATOM 673 CD1 TYR A 47 25.946 28.685 -24.738 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.044 28.846 -26.167 1.00 0.00 C ATOM 675 CE1 TYR A 47 26.754 28.451 -25.836 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.845 28.615 -27.267 1.00 0.00 C ATOM 677 CZ TYR A 47 26.199 28.417 -27.097 1.00 0.00 C ATOM 678 OH TYR A 47 27.000 28.187 -28.192 1.00 0.00 O ATOM 0 H TYR A 47 24.842 26.884 -23.931 1.00 0.00 H new ATOM 0 HA TYR A 47 24.134 28.557 -21.686 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.662 29.241 -24.031 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.971 30.112 -23.257 1.00 0.00 H new ATOM 0 HD1 TYR A 47 26.384 28.713 -23.751 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.984 28.999 -26.305 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.815 28.296 -25.706 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.413 28.589 -28.257 1.00 0.00 H new ATOM 0 HH TYR A 47 27.937 28.339 -27.950 1.00 0.00 H new ATOM 688 N GLY A 48 21.669 27.140 -23.392 1.00 0.00 N ATOM 689 CA GLY A 48 20.336 26.590 -23.242 1.00 0.00 C ATOM 690 C GLY A 48 19.436 26.875 -24.429 1.00 0.00 C ATOM 691 O GLY A 48 18.426 27.567 -24.296 1.00 0.00 O ATOM 0 H GLY A 48 22.008 27.193 -24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.409 25.512 -23.100 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.880 27.000 -22.341 1.00 0.00 H new ATOM 695 N GLY A 49 19.789 26.332 -25.591 1.00 0.00 N ATOM 696 CA GLY A 49 18.979 26.539 -26.775 1.00 0.00 C ATOM 697 C GLY A 49 17.512 26.285 -26.509 1.00 0.00 C ATOM 698 O GLY A 49 16.675 27.172 -26.682 1.00 0.00 O ATOM 0 H GLY A 49 20.618 25.755 -25.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.111 27.561 -27.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.323 25.878 -27.570 1.00 0.00 H new ATOM 702 N ASN A 50 17.205 25.069 -26.079 1.00 0.00 N ATOM 703 CA ASN A 50 15.834 24.682 -25.772 1.00 0.00 C ATOM 704 C ASN A 50 15.783 23.850 -24.495 1.00 0.00 C ATOM 705 O ASN A 50 14.747 23.279 -24.154 1.00 0.00 O ATOM 706 CB ASN A 50 15.231 23.895 -26.936 1.00 0.00 C ATOM 707 CG ASN A 50 14.082 24.631 -27.596 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.922 24.238 -27.469 1.00 0.00 O ATOM 709 ND2 ASN A 50 14.398 25.708 -28.306 1.00 0.00 N ATOM 0 H ASN A 50 17.892 24.329 -25.934 1.00 0.00 H new ATOM 0 HA ASN A 50 15.249 25.589 -25.618 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.005 23.696 -27.677 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.880 22.928 -26.575 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.666 26.244 -28.772 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.372 25.999 -28.385 1.00 0.00 H new ATOM 716 N SER A 51 16.911 23.786 -23.789 1.00 0.00 N ATOM 717 CA SER A 51 16.998 23.027 -22.548 1.00 0.00 C ATOM 718 C SER A 51 17.555 23.890 -21.419 1.00 0.00 C ATOM 719 O SER A 51 17.723 23.423 -20.293 1.00 0.00 O ATOM 720 CB SER A 51 17.880 21.792 -22.744 1.00 0.00 C ATOM 721 OG SER A 51 17.526 21.093 -23.925 1.00 0.00 O ATOM 0 H SER A 51 17.777 24.252 -24.058 1.00 0.00 H new ATOM 0 HA SER A 51 15.992 22.709 -22.274 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.926 22.093 -22.796 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.781 21.131 -21.883 1.00 0.00 H new ATOM 0 HG SER A 51 17.832 21.597 -24.708 1.00 0.00 H new ATOM 727 N ASN A 52 17.839 25.154 -21.728 1.00 0.00 N ATOM 728 CA ASN A 52 18.375 26.084 -20.741 1.00 0.00 C ATOM 729 C ASN A 52 19.790 25.692 -20.325 1.00 0.00 C ATOM 730 O ASN A 52 20.344 26.247 -19.376 1.00 0.00 O ATOM 731 CB ASN A 52 17.463 26.140 -19.514 1.00 0.00 C ATOM 732 CG ASN A 52 18.074 26.930 -18.373 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.978 26.538 -17.210 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.708 28.049 -18.702 1.00 0.00 N ATOM 0 H ASN A 52 17.706 25.556 -22.656 1.00 0.00 H new ATOM 0 HA ASN A 52 18.417 27.072 -21.199 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.510 26.589 -19.794 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.250 25.126 -19.177 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.140 28.622 -17.977 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.763 28.336 -19.679 1.00 0.00 H new ATOM 741 N GLY A 53 20.371 24.735 -21.042 1.00 0.00 N ATOM 742 CA GLY A 53 21.717 24.291 -20.731 1.00 0.00 C ATOM 743 C GLY A 53 21.742 23.208 -19.670 1.00 0.00 C ATOM 744 O GLY A 53 21.163 23.370 -18.595 1.00 0.00 O ATOM 0 H GLY A 53 19.934 24.260 -21.832 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.191 23.917 -21.638 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.307 25.142 -20.391 1.00 0.00 H new ATOM 748 N GLU A 54 22.412 22.099 -19.970 1.00 0.00 N ATOM 749 CA GLU A 54 22.508 20.988 -19.030 1.00 0.00 C ATOM 750 C GLU A 54 23.462 19.914 -19.546 1.00 0.00 C ATOM 751 O GLU A 54 23.758 19.852 -20.739 1.00 0.00 O ATOM 752 CB GLU A 54 21.118 20.391 -18.773 1.00 0.00 C ATOM 753 CG GLU A 54 20.791 19.178 -19.631 1.00 0.00 C ATOM 754 CD GLU A 54 19.516 18.484 -19.193 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.491 19.177 -19.021 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.542 17.247 -19.021 1.00 0.00 O ATOM 0 H GLU A 54 22.895 21.946 -20.855 1.00 0.00 H new ATOM 0 HA GLU A 54 22.908 21.369 -18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.045 20.109 -17.723 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.366 21.160 -18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.693 19.489 -20.671 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.620 18.471 -19.586 1.00 0.00 H new ATOM 763 N PRO A 55 23.951 19.050 -18.645 1.00 0.00 N ATOM 764 CA PRO A 55 24.874 17.968 -19.003 1.00 0.00 C ATOM 765 C PRO A 55 24.323 17.088 -20.121 1.00 0.00 C ATOM 766 O PRO A 55 23.470 16.232 -19.888 1.00 0.00 O ATOM 767 CB PRO A 55 25.006 17.165 -17.706 1.00 0.00 C ATOM 768 CG PRO A 55 24.667 18.130 -16.622 1.00 0.00 C ATOM 769 CD PRO A 55 23.640 19.061 -17.205 1.00 0.00 C ATOM 0 HA PRO A 55 25.823 18.349 -19.379 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.330 16.310 -17.700 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.016 16.773 -17.585 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.273 17.612 -15.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.551 18.678 -16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.625 18.714 -17.010 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.720 20.063 -16.784 1.00 0.00 H new ATOM 777 N CYS A 56 24.815 17.308 -21.336 1.00 0.00 N ATOM 778 CA CYS A 56 24.372 16.538 -22.493 1.00 0.00 C ATOM 779 C CYS A 56 24.233 15.059 -22.145 1.00 0.00 C ATOM 780 O CYS A 56 24.712 14.608 -21.105 1.00 0.00 O ATOM 781 CB CYS A 56 25.351 16.716 -23.655 1.00 0.00 C ATOM 782 SG CYS A 56 25.925 18.429 -23.890 1.00 0.00 S ATOM 0 H CYS A 56 25.521 18.014 -21.545 1.00 0.00 H new ATOM 0 HA CYS A 56 23.393 16.911 -22.794 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.216 16.074 -23.488 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.873 16.375 -24.574 1.00 0.00 H new ATOM 787 N VAL A 57 23.569 14.309 -23.019 1.00 0.00 N ATOM 788 CA VAL A 57 23.362 12.883 -22.802 1.00 0.00 C ATOM 789 C VAL A 57 23.996 12.053 -23.912 1.00 0.00 C ATOM 790 O VAL A 57 23.298 11.441 -24.721 1.00 0.00 O ATOM 791 CB VAL A 57 21.863 12.540 -22.718 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.149 12.937 -24.001 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.669 11.059 -22.430 1.00 0.00 C ATOM 0 H VAL A 57 23.165 14.666 -23.885 1.00 0.00 H new ATOM 0 HA VAL A 57 23.841 12.639 -21.854 1.00 0.00 H new ATOM 0 HB VAL A 57 21.427 13.108 -21.896 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.091 12.686 -23.921 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.257 14.010 -24.160 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.587 12.400 -24.842 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.604 10.836 -22.374 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.122 10.471 -23.228 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.142 10.808 -21.481 1.00 0.00 H new ATOM 803 N LEU A 58 25.322 12.031 -23.945 1.00 0.00 N ATOM 804 CA LEU A 58 26.043 11.270 -24.959 1.00 0.00 C ATOM 805 C LEU A 58 26.825 10.123 -24.326 1.00 0.00 C ATOM 806 O LEU A 58 26.930 10.025 -23.104 1.00 0.00 O ATOM 807 CB LEU A 58 26.994 12.174 -25.750 1.00 0.00 C ATOM 808 CG LEU A 58 27.187 13.588 -25.197 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.860 14.329 -25.140 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.839 13.542 -23.824 1.00 0.00 C ATOM 0 H LEU A 58 25.919 12.529 -23.285 1.00 0.00 H new ATOM 0 HA LEU A 58 25.305 10.854 -25.645 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.968 11.688 -25.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.624 12.252 -26.772 1.00 0.00 H new ATOM 0 HG LEU A 58 27.850 14.131 -25.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.020 15.332 -24.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.438 14.398 -26.143 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.169 13.789 -24.492 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.968 14.557 -23.448 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.205 12.979 -23.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.812 13.057 -23.899 1.00 0.00 H new ATOM 822 N PRO A 59 27.382 9.235 -25.163 1.00 0.00 N ATOM 823 CA PRO A 59 27.264 9.336 -26.618 1.00 0.00 C ATOM 824 C PRO A 59 25.844 9.083 -27.106 1.00 0.00 C ATOM 825 O PRO A 59 25.222 8.085 -26.746 1.00 0.00 O ATOM 826 CB PRO A 59 28.195 8.239 -27.149 1.00 0.00 C ATOM 827 CG PRO A 59 29.002 7.786 -25.975 1.00 0.00 C ATOM 828 CD PRO A 59 28.170 8.065 -24.757 1.00 0.00 C ATOM 0 HA PRO A 59 27.522 10.337 -26.963 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.624 7.413 -27.573 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.838 8.622 -27.941 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.236 6.724 -26.051 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.952 8.319 -25.927 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.534 7.218 -24.499 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.788 8.277 -23.885 1.00 0.00 H new ATOM 836 N PHE A 60 25.344 9.984 -27.942 1.00 0.00 N ATOM 837 CA PHE A 60 24.003 9.845 -28.495 1.00 0.00 C ATOM 838 C PHE A 60 24.083 9.520 -29.982 1.00 0.00 C ATOM 839 O PHE A 60 25.175 9.421 -30.544 1.00 0.00 O ATOM 840 CB PHE A 60 23.187 11.123 -28.278 1.00 0.00 C ATOM 841 CG PHE A 60 23.918 12.380 -28.650 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.458 12.535 -29.916 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.061 13.409 -27.734 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.128 13.691 -30.260 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.732 14.568 -28.073 1.00 0.00 C ATOM 846 CZ PHE A 60 25.267 14.708 -29.338 1.00 0.00 C ATOM 0 H PHE A 60 25.845 10.817 -28.251 1.00 0.00 H new ATOM 0 HA PHE A 60 23.501 9.028 -27.977 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.270 11.061 -28.863 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.893 11.182 -27.230 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.353 11.742 -30.642 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.643 13.304 -26.744 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.544 13.800 -31.251 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.838 15.363 -27.350 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.794 15.612 -29.605 1.00 0.00 H new ATOM 856 N THR A 61 22.931 9.356 -30.616 1.00 0.00 N ATOM 857 CA THR A 61 22.889 9.042 -32.036 1.00 0.00 C ATOM 858 C THR A 61 22.085 10.082 -32.805 1.00 0.00 C ATOM 859 O THR A 61 20.903 10.295 -32.531 1.00 0.00 O ATOM 860 CB THR A 61 22.285 7.650 -32.290 1.00 0.00 C ATOM 861 OG1 THR A 61 22.236 6.906 -31.066 1.00 0.00 O ATOM 862 CG2 THR A 61 23.104 6.887 -33.321 1.00 0.00 C ATOM 0 H THR A 61 22.016 9.435 -30.171 1.00 0.00 H new ATOM 0 HA THR A 61 23.920 9.049 -32.390 1.00 0.00 H new ATOM 0 HB THR A 61 21.274 7.781 -32.675 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.849 6.022 -31.236 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.659 5.906 -33.485 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.116 7.442 -34.259 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.125 6.766 -32.958 1.00 0.00 H new ATOM 870 N TYR A 62 22.734 10.723 -33.768 1.00 0.00 N ATOM 871 CA TYR A 62 22.084 11.741 -34.582 1.00 0.00 C ATOM 872 C TYR A 62 22.531 11.633 -36.035 1.00 0.00 C ATOM 873 O TYR A 62 23.725 11.542 -36.323 1.00 0.00 O ATOM 874 CB TYR A 62 22.395 13.137 -34.045 1.00 0.00 C ATOM 875 CG TYR A 62 21.710 14.243 -34.816 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.391 14.587 -34.552 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.384 14.940 -35.811 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.761 15.595 -35.256 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.761 15.950 -36.520 1.00 0.00 C ATOM 880 CZ TYR A 62 20.450 16.274 -36.240 1.00 0.00 C ATOM 881 OH TYR A 62 19.827 17.277 -36.945 1.00 0.00 O ATOM 0 H TYR A 62 23.712 10.555 -34.005 1.00 0.00 H new ATOM 0 HA TYR A 62 21.008 11.577 -34.533 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.092 13.192 -32.999 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.473 13.298 -34.074 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.848 14.057 -33.783 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.410 14.689 -36.034 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.735 15.850 -35.037 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.299 16.483 -37.290 1.00 0.00 H new ATOM 0 HH TYR A 62 20.452 17.653 -37.600 1.00 0.00 H new ATOM 891 N ASN A 63 21.566 11.641 -36.946 1.00 0.00 N ATOM 892 CA ASN A 63 21.861 11.540 -38.368 1.00 0.00 C ATOM 893 C ASN A 63 22.325 10.132 -38.731 1.00 0.00 C ATOM 894 O ASN A 63 22.681 9.862 -39.877 1.00 0.00 O ATOM 895 CB ASN A 63 22.930 12.561 -38.759 1.00 0.00 C ATOM 896 CG ASN A 63 22.606 13.268 -40.060 1.00 0.00 C ATOM 897 OD1 ASN A 63 22.395 12.628 -41.092 1.00 0.00 O ATOM 898 ND2 ASN A 63 22.563 14.594 -40.019 1.00 0.00 N ATOM 0 H ASN A 63 20.573 11.716 -36.725 1.00 0.00 H new ATOM 0 HA ASN A 63 20.946 11.752 -38.921 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.032 13.299 -37.963 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.892 12.058 -38.852 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.349 15.124 -40.864 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.744 15.083 -39.143 1.00 0.00 H new ATOM 905 N GLY A 64 22.315 9.236 -37.746 1.00 0.00 N ATOM 906 CA GLY A 64 22.734 7.867 -37.985 1.00 0.00 C ATOM 907 C GLY A 64 24.083 7.551 -37.368 1.00 0.00 C ATOM 908 O GLY A 64 24.480 6.388 -37.295 1.00 0.00 O ATOM 0 H GLY A 64 22.024 9.435 -36.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.985 7.186 -37.580 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.779 7.688 -39.059 1.00 0.00 H new ATOM 912 N ARG A 65 24.788 8.584 -36.923 1.00 0.00 N ATOM 913 CA ARG A 65 26.100 8.406 -36.312 1.00 0.00 C ATOM 914 C ARG A 65 26.028 8.618 -34.803 1.00 0.00 C ATOM 915 O ARG A 65 24.947 8.598 -34.214 1.00 0.00 O ATOM 916 CB ARG A 65 27.110 9.372 -36.934 1.00 0.00 C ATOM 917 CG ARG A 65 26.773 10.837 -36.716 1.00 0.00 C ATOM 918 CD ARG A 65 26.918 11.632 -38.000 1.00 0.00 C ATOM 919 NE ARG A 65 26.138 11.047 -39.081 1.00 0.00 N ATOM 920 CZ ARG A 65 26.133 11.511 -40.327 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.867 12.568 -40.645 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.395 10.917 -41.254 1.00 0.00 N ATOM 0 H ARG A 65 24.474 9.553 -36.974 1.00 0.00 H new ATOM 0 HA ARG A 65 26.428 7.384 -36.499 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.096 9.170 -36.516 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.171 9.179 -38.005 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.752 10.926 -36.344 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.429 11.254 -35.952 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.595 12.659 -37.831 1.00 0.00 H new ATOM 0 HD3 ARG A 65 27.969 11.671 -38.288 1.00 0.00 H new ATOM 0 HE ARG A 65 25.561 10.233 -38.870 1.00 0.00 H new ATOM 0 HH11 ARG A 65 27.436 13.026 -39.934 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.862 12.923 -41.601 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.830 10.103 -41.012 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.392 11.274 -42.210 1.00 0.00 H new ATOM 936 N THR A 66 27.185 8.816 -34.180 1.00 0.00 N ATOM 937 CA THR A 66 27.250 9.027 -32.739 1.00 0.00 C ATOM 938 C THR A 66 28.228 10.141 -32.385 1.00 0.00 C ATOM 939 O THR A 66 29.243 10.328 -33.057 1.00 0.00 O ATOM 940 CB THR A 66 27.667 7.741 -32.002 1.00 0.00 C ATOM 941 OG1 THR A 66 26.847 6.644 -32.425 1.00 0.00 O ATOM 942 CG2 THR A 66 27.551 7.916 -30.495 1.00 0.00 C ATOM 0 H THR A 66 28.090 8.835 -34.650 1.00 0.00 H new ATOM 0 HA THR A 66 26.249 9.314 -32.419 1.00 0.00 H new ATOM 0 HB THR A 66 28.708 7.532 -32.247 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.120 5.830 -31.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.851 6.994 -29.997 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.200 8.730 -30.172 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.519 8.150 -30.234 1.00 0.00 H new ATOM 950 N PHE A 67 27.916 10.877 -31.324 1.00 0.00 N ATOM 951 CA PHE A 67 28.765 11.974 -30.875 1.00 0.00 C ATOM 952 C PHE A 67 28.925 11.939 -29.358 1.00 0.00 C ATOM 953 O PHE A 67 28.024 11.504 -28.642 1.00 0.00 O ATOM 954 CB PHE A 67 28.173 13.313 -31.319 1.00 0.00 C ATOM 955 CG PHE A 67 27.526 13.260 -32.675 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.439 12.431 -32.912 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.007 14.040 -33.715 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.846 12.383 -34.160 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.418 13.993 -34.966 1.00 0.00 C ATOM 960 CZ PHE A 67 26.336 13.164 -35.186 1.00 0.00 C ATOM 0 H PHE A 67 27.080 10.733 -30.758 1.00 0.00 H new ATOM 0 HA PHE A 67 29.751 11.860 -31.327 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.435 13.637 -30.585 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.962 14.065 -31.330 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.052 11.816 -32.113 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.851 14.692 -33.547 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.000 11.734 -34.331 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.804 14.604 -35.769 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.873 13.127 -36.161 1.00 0.00 H new ATOM 970 N TYR A 68 30.077 12.389 -28.872 1.00 0.00 N ATOM 971 CA TYR A 68 30.350 12.393 -27.438 1.00 0.00 C ATOM 972 C TYR A 68 30.158 13.780 -26.832 1.00 0.00 C ATOM 973 O TYR A 68 30.678 14.070 -25.755 1.00 0.00 O ATOM 974 CB TYR A 68 31.775 11.910 -27.168 1.00 0.00 C ATOM 975 CG TYR A 68 32.099 10.577 -27.800 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.184 9.534 -27.779 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.324 10.362 -28.415 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.481 8.312 -28.353 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.630 9.146 -28.990 1.00 0.00 C ATOM 980 CZ TYR A 68 32.706 8.123 -28.956 1.00 0.00 C ATOM 981 OH TYR A 68 33.008 6.908 -29.529 1.00 0.00 O ATOM 0 H TYR A 68 30.835 12.755 -29.448 1.00 0.00 H new ATOM 0 HA TYR A 68 29.638 11.714 -26.968 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.478 12.657 -27.538 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.925 11.837 -26.091 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.224 9.679 -27.306 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.051 11.161 -28.444 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.758 7.510 -28.329 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.589 8.996 -29.464 1.00 0.00 H new ATOM 0 HH TYR A 68 33.910 6.942 -29.911 1.00 0.00 H new ATOM 991 N SER A 69 29.411 14.635 -27.522 1.00 0.00 N ATOM 992 CA SER A 69 29.164 15.985 -27.031 1.00 0.00 C ATOM 993 C SER A 69 28.539 16.862 -28.109 1.00 0.00 C ATOM 994 O SER A 69 28.103 16.373 -29.151 1.00 0.00 O ATOM 995 CB SER A 69 30.469 16.618 -26.542 1.00 0.00 C ATOM 996 OG SER A 69 30.517 16.661 -25.127 1.00 0.00 O ATOM 0 H SER A 69 28.969 14.420 -28.416 1.00 0.00 H new ATOM 0 HA SER A 69 28.462 15.913 -26.200 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.317 16.048 -26.920 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.559 17.628 -26.943 1.00 0.00 H new ATOM 0 HG SER A 69 30.593 15.750 -24.774 1.00 0.00 H new ATOM 1002 N CYS A 70 28.503 18.165 -27.847 1.00 0.00 N ATOM 1003 CA CYS A 70 27.936 19.123 -28.783 1.00 0.00 C ATOM 1004 C CYS A 70 28.541 18.953 -30.171 1.00 0.00 C ATOM 1005 O CYS A 70 29.611 18.365 -30.326 1.00 0.00 O ATOM 1006 CB CYS A 70 28.173 20.545 -28.279 1.00 0.00 C ATOM 1007 SG CYS A 70 27.561 20.845 -26.590 1.00 0.00 S ATOM 0 H CYS A 70 28.863 18.581 -26.988 1.00 0.00 H new ATOM 0 HA CYS A 70 26.864 18.940 -28.854 1.00 0.00 H new ATOM 0 HB2 CYS A 70 29.242 20.757 -28.310 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.689 21.246 -28.959 1.00 0.00 H new ATOM 1012 N THR A 71 27.847 19.471 -31.177 1.00 0.00 N ATOM 1013 CA THR A 71 28.312 19.376 -32.555 1.00 0.00 C ATOM 1014 C THR A 71 27.451 20.221 -33.485 1.00 0.00 C ATOM 1015 O THR A 71 26.317 20.570 -33.153 1.00 0.00 O ATOM 1016 CB THR A 71 28.295 17.920 -33.052 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.750 17.860 -34.408 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.893 17.333 -32.954 1.00 0.00 C ATOM 0 H THR A 71 26.960 19.961 -31.064 1.00 0.00 H new ATOM 0 HA THR A 71 29.336 19.749 -32.569 1.00 0.00 H new ATOM 0 HB THR A 71 28.963 17.334 -32.420 1.00 0.00 H new ATOM 0 HG1 THR A 71 28.738 16.930 -34.716 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.904 16.303 -33.311 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.561 17.354 -31.916 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.209 17.921 -33.565 1.00 0.00 H new ATOM 1026 N THR A 72 27.993 20.542 -34.654 1.00 0.00 N ATOM 1027 CA THR A 72 27.270 21.343 -35.634 1.00 0.00 C ATOM 1028 C THR A 72 26.935 20.514 -36.871 1.00 0.00 C ATOM 1029 O THR A 72 27.451 20.768 -37.960 1.00 0.00 O ATOM 1030 CB THR A 72 28.081 22.580 -36.059 1.00 0.00 C ATOM 1031 OG1 THR A 72 29.470 22.243 -36.164 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.904 23.713 -35.060 1.00 0.00 C ATOM 0 H THR A 72 28.929 20.260 -34.946 1.00 0.00 H new ATOM 0 HA THR A 72 26.347 21.675 -35.158 1.00 0.00 H new ATOM 0 HB THR A 72 27.713 22.912 -37.030 1.00 0.00 H new ATOM 0 HG1 THR A 72 29.979 23.035 -36.436 1.00 0.00 H new ATOM 0 HG21 THR A 72 28.487 24.576 -35.382 1.00 0.00 H new ATOM 0 HG22 THR A 72 26.851 23.987 -35.003 1.00 0.00 H new ATOM 0 HG23 THR A 72 28.248 23.389 -34.078 1.00 0.00 H new ATOM 1040 N GLU A 73 26.072 19.518 -36.694 1.00 0.00 N ATOM 1041 CA GLU A 73 25.672 18.645 -37.793 1.00 0.00 C ATOM 1042 C GLU A 73 24.172 18.741 -38.051 1.00 0.00 C ATOM 1043 O GLU A 73 23.604 17.925 -38.778 1.00 0.00 O ATOM 1044 CB GLU A 73 26.048 17.200 -37.476 1.00 0.00 C ATOM 1045 CG GLU A 73 27.515 16.887 -37.717 1.00 0.00 C ATOM 1046 CD GLU A 73 27.884 16.932 -39.186 1.00 0.00 C ATOM 1047 OE1 GLU A 73 28.239 18.026 -39.676 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.820 15.876 -39.848 1.00 0.00 O ATOM 0 H GLU A 73 25.636 19.295 -35.799 1.00 0.00 H new ATOM 0 HA GLU A 73 26.198 18.969 -38.691 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.807 16.991 -36.434 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.438 16.533 -38.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 28.130 17.601 -37.169 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.742 15.898 -37.319 1.00 0.00 H new ATOM 1055 N GLY A 74 23.537 19.737 -37.449 1.00 0.00 N ATOM 1056 CA GLY A 74 22.107 19.916 -37.623 1.00 0.00 C ATOM 1057 C GLY A 74 21.732 21.341 -37.980 1.00 0.00 C ATOM 1058 O GLY A 74 20.553 21.694 -37.989 1.00 0.00 O ATOM 0 H GLY A 74 23.985 20.425 -36.843 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.754 19.245 -38.406 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.595 19.630 -36.704 1.00 0.00 H new ATOM 1122 N HIS A 79 26.753 26.572 -34.755 1.00 0.00 N ATOM 1123 CA HIS A 79 26.612 26.575 -33.304 1.00 0.00 C ATOM 1124 C HIS A 79 26.604 25.152 -32.755 1.00 0.00 C ATOM 1125 O HIS A 79 25.729 24.353 -33.089 1.00 0.00 O ATOM 1126 CB HIS A 79 25.327 27.299 -32.897 1.00 0.00 C ATOM 1127 CG HIS A 79 25.177 28.652 -33.521 1.00 0.00 C ATOM 1128 ND1 HIS A 79 26.223 29.327 -34.113 1.00 0.00 N ATOM 1129 CD2 HIS A 79 24.094 29.455 -33.648 1.00 0.00 C ATOM 1130 CE1 HIS A 79 25.791 30.487 -34.576 1.00 0.00 C ATOM 1131 NE2 HIS A 79 24.503 30.589 -34.306 1.00 0.00 N ATOM 0 HA HIS A 79 27.467 27.103 -32.882 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.471 26.684 -33.173 1.00 0.00 H new ATOM 0 HB3 HIS A 79 25.307 27.404 -31.812 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.095 29.243 -33.297 1.00 0.00 H new ATOM 0 HE1 HIS A 79 26.390 31.226 -35.088 1.00 0.00 H new ATOM 0 HE2 HIS A 79 23.908 31.382 -34.547 1.00 0.00 H new ATOM 1140 N LEU A 80 27.583 24.842 -31.910 1.00 0.00 N ATOM 1141 CA LEU A 80 27.686 23.515 -31.314 1.00 0.00 C ATOM 1142 C LEU A 80 26.464 23.210 -30.458 1.00 0.00 C ATOM 1143 O LEU A 80 26.107 23.983 -29.568 1.00 0.00 O ATOM 1144 CB LEU A 80 28.954 23.413 -30.464 1.00 0.00 C ATOM 1145 CG LEU A 80 30.230 23.077 -31.239 1.00 0.00 C ATOM 1146 CD1 LEU A 80 30.584 24.202 -32.198 1.00 0.00 C ATOM 1147 CD2 LEU A 80 31.378 22.807 -30.280 1.00 0.00 C ATOM 0 H LEU A 80 28.315 25.491 -31.623 1.00 0.00 H new ATOM 0 HA LEU A 80 27.736 22.784 -32.121 1.00 0.00 H new ATOM 0 HB2 LEU A 80 29.102 24.360 -29.945 1.00 0.00 H new ATOM 0 HB3 LEU A 80 28.800 22.651 -29.700 1.00 0.00 H new ATOM 0 HG LEU A 80 30.052 22.174 -31.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 31.494 23.945 -32.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 29.768 24.347 -32.906 1.00 0.00 H new ATOM 0 HD13 LEU A 80 30.744 25.122 -31.636 1.00 0.00 H new ATOM 0 HD21 LEU A 80 32.278 22.570 -30.847 1.00 0.00 H new ATOM 0 HD22 LEU A 80 31.557 23.692 -29.669 1.00 0.00 H new ATOM 0 HD23 LEU A 80 31.123 21.966 -29.635 1.00 0.00 H new ATOM 1159 N TRP A 81 25.822 22.081 -30.734 1.00 0.00 N ATOM 1160 CA TRP A 81 24.635 21.676 -29.990 1.00 0.00 C ATOM 1161 C TRP A 81 24.726 20.217 -29.558 1.00 0.00 C ATOM 1162 O TRP A 81 25.365 19.400 -30.221 1.00 0.00 O ATOM 1163 CB TRP A 81 23.385 21.878 -30.842 1.00 0.00 C ATOM 1164 CG TRP A 81 23.336 20.970 -32.030 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.732 21.265 -33.302 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.871 19.615 -32.059 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.539 20.180 -34.120 1.00 0.00 N ATOM 1168 CE2 TRP A 81 23.011 19.155 -33.381 1.00 0.00 C ATOM 1169 CE3 TRP A 81 22.348 18.746 -31.096 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.647 17.867 -33.765 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.988 17.467 -31.478 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.138 17.039 -32.802 1.00 0.00 C ATOM 0 H TRP A 81 26.103 21.430 -31.467 1.00 0.00 H new ATOM 0 HA TRP A 81 24.573 22.298 -29.097 1.00 0.00 H new ATOM 0 HB2 TRP A 81 22.501 21.710 -30.226 1.00 0.00 H new ATOM 0 HB3 TRP A 81 23.346 22.913 -31.181 1.00 0.00 H new ATOM 0 HD1 TRP A 81 24.138 22.214 -33.619 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.754 20.143 -35.116 1.00 0.00 H new ATOM 0 HE3 TRP A 81 22.228 19.068 -30.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.762 17.534 -34.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.584 16.787 -30.743 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.846 16.034 -33.069 1.00 0.00 H new ATOM 1183 N CYS A 82 24.071 19.900 -28.448 1.00 0.00 N ATOM 1184 CA CYS A 82 24.061 18.540 -27.923 1.00 0.00 C ATOM 1185 C CYS A 82 22.673 18.182 -27.406 1.00 0.00 C ATOM 1186 O CYS A 82 21.788 19.034 -27.337 1.00 0.00 O ATOM 1187 CB CYS A 82 25.094 18.391 -26.805 1.00 0.00 C ATOM 1188 SG CYS A 82 24.620 19.196 -25.241 1.00 0.00 S ATOM 0 H CYS A 82 23.538 20.569 -27.892 1.00 0.00 H new ATOM 0 HA CYS A 82 24.321 17.857 -28.731 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.261 17.330 -26.619 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.042 18.809 -27.143 1.00 0.00 H new ATOM 1193 N SER A 83 22.484 16.919 -27.043 1.00 0.00 N ATOM 1194 CA SER A 83 21.198 16.460 -26.534 1.00 0.00 C ATOM 1195 C SER A 83 21.272 16.175 -25.038 1.00 0.00 C ATOM 1196 O SER A 83 22.331 15.840 -24.510 1.00 0.00 O ATOM 1197 CB SER A 83 20.743 15.207 -27.286 1.00 0.00 C ATOM 1198 OG SER A 83 20.102 14.292 -26.415 1.00 0.00 O ATOM 0 H SER A 83 23.203 16.197 -27.091 1.00 0.00 H new ATOM 0 HA SER A 83 20.469 17.254 -26.696 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.061 15.489 -28.088 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.603 14.727 -27.753 1.00 0.00 H new ATOM 0 HG SER A 83 19.414 13.798 -26.908 1.00 0.00 H new ATOM 1204 N THR A 84 20.136 16.307 -24.361 1.00 0.00 N ATOM 1205 CA THR A 84 20.067 16.062 -22.926 1.00 0.00 C ATOM 1206 C THR A 84 19.234 14.819 -22.630 1.00 0.00 C ATOM 1207 O THR A 84 19.302 14.258 -21.535 1.00 0.00 O ATOM 1208 CB THR A 84 19.467 17.265 -22.176 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.039 17.242 -22.274 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.996 18.578 -22.737 1.00 0.00 C ATOM 0 H THR A 84 19.250 16.583 -24.784 1.00 0.00 H new ATOM 0 HA THR A 84 21.088 15.907 -22.577 1.00 0.00 H new ATOM 0 HB THR A 84 19.762 17.192 -21.129 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.674 18.086 -21.934 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.556 19.411 -22.189 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.081 18.607 -22.633 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.731 18.656 -23.791 1.00 0.00 H new ATOM 1218 N THR A 85 18.455 14.390 -23.618 1.00 0.00 N ATOM 1219 CA THR A 85 17.613 13.209 -23.476 1.00 0.00 C ATOM 1220 C THR A 85 17.996 12.144 -24.498 1.00 0.00 C ATOM 1221 O THR A 85 18.230 12.451 -25.667 1.00 0.00 O ATOM 1222 CB THR A 85 16.122 13.557 -23.650 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.680 14.383 -22.568 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.273 12.297 -23.710 1.00 0.00 C ATOM 0 H THR A 85 18.390 14.845 -24.529 1.00 0.00 H new ATOM 0 HA THR A 85 17.772 12.823 -22.469 1.00 0.00 H new ATOM 0 HB THR A 85 16.008 14.098 -24.590 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.711 14.517 -22.633 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.225 12.570 -23.833 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.590 11.685 -24.554 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.395 11.732 -22.786 1.00 0.00 H new ATOM 1232 N SER A 86 18.056 10.892 -24.054 1.00 0.00 N ATOM 1233 CA SER A 86 18.407 9.787 -24.939 1.00 0.00 C ATOM 1234 C SER A 86 17.614 9.863 -26.239 1.00 0.00 C ATOM 1235 O SER A 86 18.167 9.702 -27.327 1.00 0.00 O ATOM 1236 CB SER A 86 18.147 8.448 -24.246 1.00 0.00 C ATOM 1237 OG SER A 86 16.980 7.827 -24.755 1.00 0.00 O ATOM 0 H SER A 86 17.867 10.618 -23.090 1.00 0.00 H new ATOM 0 HA SER A 86 19.468 9.864 -25.175 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.004 7.790 -24.388 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.040 8.605 -23.173 1.00 0.00 H new ATOM 0 HG SER A 86 16.838 6.973 -24.297 1.00 0.00 H new ATOM 1243 N ASN A 87 16.315 10.113 -26.117 1.00 0.00 N ATOM 1244 CA ASN A 87 15.441 10.216 -27.279 1.00 0.00 C ATOM 1245 C ASN A 87 15.163 11.675 -27.623 1.00 0.00 C ATOM 1246 O ASN A 87 14.049 12.165 -27.435 1.00 0.00 O ATOM 1247 CB ASN A 87 14.123 9.484 -27.018 1.00 0.00 C ATOM 1248 CG ASN A 87 13.843 8.410 -28.051 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.141 7.235 -27.838 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.267 8.810 -29.178 1.00 0.00 N ATOM 0 H ASN A 87 15.843 10.248 -25.223 1.00 0.00 H new ATOM 0 HA ASN A 87 15.947 9.751 -28.125 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.152 9.032 -26.027 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.305 10.204 -27.016 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.054 8.133 -29.910 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.037 9.795 -29.312 1.00 0.00 H new ATOM 1257 N TYR A 88 16.180 12.364 -28.133 1.00 0.00 N ATOM 1258 CA TYR A 88 16.039 13.765 -28.507 1.00 0.00 C ATOM 1259 C TYR A 88 15.186 13.892 -29.765 1.00 0.00 C ATOM 1260 O TYR A 88 14.576 14.932 -30.014 1.00 0.00 O ATOM 1261 CB TYR A 88 17.424 14.394 -28.727 1.00 0.00 C ATOM 1262 CG TYR A 88 17.467 15.434 -29.827 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.677 15.063 -31.149 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.296 16.783 -29.543 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.715 16.007 -32.158 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.332 17.732 -30.547 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.542 17.340 -31.851 1.00 0.00 C ATOM 1268 OH TYR A 88 17.578 18.282 -32.853 1.00 0.00 O ATOM 0 H TYR A 88 17.109 11.974 -28.296 1.00 0.00 H new ATOM 0 HA TYR A 88 15.540 14.299 -27.698 1.00 0.00 H new ATOM 0 HB2 TYR A 88 17.754 14.853 -27.795 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.136 13.603 -28.962 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.813 14.020 -31.393 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.132 17.095 -28.522 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.879 15.702 -33.181 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.196 18.777 -30.310 1.00 0.00 H new ATOM 0 HH TYR A 88 17.438 19.173 -32.470 1.00 0.00 H new ATOM 1278 N GLU A 89 15.152 12.823 -30.555 1.00 0.00 N ATOM 1279 CA GLU A 89 14.377 12.812 -31.788 1.00 0.00 C ATOM 1280 C GLU A 89 12.894 13.019 -31.500 1.00 0.00 C ATOM 1281 O GLU A 89 12.138 13.462 -32.365 1.00 0.00 O ATOM 1282 CB GLU A 89 14.587 11.495 -32.536 1.00 0.00 C ATOM 1283 CG GLU A 89 15.933 11.402 -33.237 1.00 0.00 C ATOM 1284 CD GLU A 89 16.625 10.074 -32.998 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.519 9.544 -31.873 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.271 9.564 -33.938 1.00 0.00 O ATOM 0 H GLU A 89 15.652 11.955 -30.362 1.00 0.00 H new ATOM 0 HA GLU A 89 14.724 13.634 -32.414 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.495 10.668 -31.832 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.793 11.375 -33.273 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.791 11.546 -34.308 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.576 12.210 -32.889 1.00 0.00 H new ATOM 1293 N GLN A 90 12.486 12.698 -30.277 1.00 0.00 N ATOM 1294 CA GLN A 90 11.093 12.849 -29.870 1.00 0.00 C ATOM 1295 C GLN A 90 10.958 13.930 -28.803 1.00 0.00 C ATOM 1296 O GLN A 90 10.036 14.746 -28.840 1.00 0.00 O ATOM 1297 CB GLN A 90 10.548 11.513 -29.351 1.00 0.00 C ATOM 1298 CG GLN A 90 9.469 11.653 -28.286 1.00 0.00 C ATOM 1299 CD GLN A 90 8.163 12.183 -28.844 1.00 0.00 C ATOM 1300 OE1 GLN A 90 7.845 11.977 -30.015 1.00 0.00 O ATOM 1301 NE2 GLN A 90 7.397 12.871 -28.005 1.00 0.00 N ATOM 0 H GLN A 90 13.100 12.331 -29.550 1.00 0.00 H new ATOM 0 HA GLN A 90 10.509 13.153 -30.738 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.144 10.947 -30.190 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.374 10.930 -28.942 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.294 10.682 -27.822 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.823 12.322 -27.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.700 13.018 -27.042 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.506 13.252 -28.324 1.00 0.00 H new ATOM 1310 N ASP A 91 11.883 13.927 -27.850 1.00 0.00 N ATOM 1311 CA ASP A 91 11.870 14.905 -26.767 1.00 0.00 C ATOM 1312 C ASP A 91 12.319 16.273 -27.269 1.00 0.00 C ATOM 1313 O ASP A 91 11.785 17.304 -26.860 1.00 0.00 O ATOM 1314 CB ASP A 91 12.776 14.445 -25.626 1.00 0.00 C ATOM 1315 CG ASP A 91 12.044 14.372 -24.300 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.803 14.229 -24.314 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.712 14.459 -23.247 1.00 0.00 O ATOM 0 H ASP A 91 12.652 13.258 -27.805 1.00 0.00 H new ATOM 0 HA ASP A 91 10.848 14.989 -26.397 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.187 13.464 -25.865 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.618 15.131 -25.536 1.00 0.00 H new ATOM 1322 N GLN A 92 13.304 16.271 -28.158 1.00 0.00 N ATOM 1323 CA GLN A 92 13.831 17.508 -28.723 1.00 0.00 C ATOM 1324 C GLN A 92 14.673 18.264 -27.699 1.00 0.00 C ATOM 1325 O GLN A 92 15.060 19.410 -27.925 1.00 0.00 O ATOM 1326 CB GLN A 92 12.686 18.395 -29.214 1.00 0.00 C ATOM 1327 CG GLN A 92 12.982 19.097 -30.529 1.00 0.00 C ATOM 1328 CD GLN A 92 12.120 18.588 -31.667 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.088 19.175 -31.991 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.542 17.489 -32.283 1.00 0.00 N ATOM 0 H GLN A 92 13.756 15.425 -28.504 1.00 0.00 H new ATOM 0 HA GLN A 92 14.470 17.248 -29.567 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.790 17.786 -29.331 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.466 19.144 -28.453 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.823 20.169 -30.409 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.033 18.957 -30.783 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.404 17.034 -31.981 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.004 17.100 -33.057 1.00 0.00 H new ATOM 1339 N LYS A 93 14.955 17.615 -26.574 1.00 0.00 N ATOM 1340 CA LYS A 93 15.753 18.229 -25.519 1.00 0.00 C ATOM 1341 C LYS A 93 17.207 18.362 -25.956 1.00 0.00 C ATOM 1342 O LYS A 93 17.984 17.412 -25.861 1.00 0.00 O ATOM 1343 CB LYS A 93 15.662 17.405 -24.235 1.00 0.00 C ATOM 1344 CG LYS A 93 14.369 17.619 -23.463 1.00 0.00 C ATOM 1345 CD LYS A 93 13.212 17.949 -24.393 1.00 0.00 C ATOM 1346 CE LYS A 93 11.892 18.011 -23.641 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.941 18.968 -24.272 1.00 0.00 N ATOM 0 H LYS A 93 14.643 16.666 -26.370 1.00 0.00 H new ATOM 0 HA LYS A 93 15.356 19.226 -25.325 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.755 16.348 -24.484 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.505 17.656 -23.592 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.133 16.722 -22.891 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.502 18.428 -22.745 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.398 18.905 -24.882 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.149 17.196 -25.179 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.443 17.018 -23.612 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.075 18.308 -22.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.002 18.860 -23.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.280 19.941 -24.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.877 18.772 -25.291 1.00 0.00 H new ATOM 1361 N TYR A 94 17.563 19.546 -26.442 1.00 0.00 N ATOM 1362 CA TYR A 94 18.922 19.803 -26.905 1.00 0.00 C ATOM 1363 C TYR A 94 19.498 21.067 -26.275 1.00 0.00 C ATOM 1364 O TYR A 94 18.761 21.927 -25.791 1.00 0.00 O ATOM 1365 CB TYR A 94 18.941 19.934 -28.429 1.00 0.00 C ATOM 1366 CG TYR A 94 18.445 21.275 -28.925 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.175 22.436 -28.700 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.244 21.381 -29.619 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.723 23.663 -29.149 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.788 22.603 -30.073 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.529 23.741 -29.835 1.00 0.00 C ATOM 1372 OH TYR A 94 17.077 24.960 -30.284 1.00 0.00 O ATOM 0 H TYR A 94 16.931 20.342 -26.526 1.00 0.00 H new ATOM 0 HA TYR A 94 19.541 18.959 -26.601 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.959 19.777 -28.787 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.326 19.145 -28.861 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.112 22.379 -28.165 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.658 20.493 -29.806 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.302 24.556 -28.964 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.855 22.667 -30.612 1.00 0.00 H new ATOM 0 HH TYR A 94 16.222 24.841 -30.748 1.00 0.00 H new ATOM 1382 N SER A 95 20.821 21.173 -26.298 1.00 0.00 N ATOM 1383 CA SER A 95 21.513 22.330 -25.746 1.00 0.00 C ATOM 1384 C SER A 95 22.526 22.872 -26.750 1.00 0.00 C ATOM 1385 O SER A 95 22.548 22.455 -27.907 1.00 0.00 O ATOM 1386 CB SER A 95 22.222 21.958 -24.442 1.00 0.00 C ATOM 1387 OG SER A 95 22.283 20.552 -24.276 1.00 0.00 O ATOM 0 H SER A 95 21.439 20.466 -26.696 1.00 0.00 H new ATOM 0 HA SER A 95 20.774 23.103 -25.537 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.231 22.371 -24.443 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.695 22.404 -23.598 1.00 0.00 H new ATOM 0 HG SER A 95 23.220 20.270 -24.213 1.00 0.00 H new ATOM 1393 N PHE A 96 23.365 23.799 -26.302 1.00 0.00 N ATOM 1394 CA PHE A 96 24.380 24.387 -27.170 1.00 0.00 C ATOM 1395 C PHE A 96 25.765 24.260 -26.549 1.00 0.00 C ATOM 1396 O PHE A 96 25.937 23.603 -25.524 1.00 0.00 O ATOM 1397 CB PHE A 96 24.066 25.858 -27.441 1.00 0.00 C ATOM 1398 CG PHE A 96 23.005 26.064 -28.483 1.00 0.00 C ATOM 1399 CD1 PHE A 96 23.235 25.712 -29.803 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.779 26.610 -28.141 1.00 0.00 C ATOM 1401 CE1 PHE A 96 22.259 25.900 -30.764 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.801 26.802 -29.097 1.00 0.00 C ATOM 1403 CZ PHE A 96 21.041 26.445 -30.410 1.00 0.00 C ATOM 0 H PHE A 96 23.363 24.159 -25.348 1.00 0.00 H new ATOM 0 HA PHE A 96 24.371 23.842 -28.114 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.747 26.330 -26.512 1.00 0.00 H new ATOM 0 HB3 PHE A 96 24.978 26.363 -27.759 1.00 0.00 H new ATOM 0 HD1 PHE A 96 24.187 25.286 -30.084 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.586 26.889 -27.116 1.00 0.00 H new ATOM 0 HE1 PHE A 96 22.449 25.621 -31.790 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.850 27.231 -28.819 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.277 26.592 -31.159 1.00 0.00 H new ATOM 1413 N CYS A 97 26.749 24.893 -27.177 1.00 0.00 N ATOM 1414 CA CYS A 97 28.118 24.848 -26.682 1.00 0.00 C ATOM 1415 C CYS A 97 28.916 26.051 -27.170 1.00 0.00 C ATOM 1416 O CYS A 97 28.850 26.419 -28.343 1.00 0.00 O ATOM 1417 CB CYS A 97 28.803 23.557 -27.129 1.00 0.00 C ATOM 1418 SG CYS A 97 28.829 22.251 -25.859 1.00 0.00 S ATOM 0 H CYS A 97 26.624 25.442 -28.028 1.00 0.00 H new ATOM 0 HA CYS A 97 28.082 24.876 -25.593 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.295 23.177 -28.015 1.00 0.00 H new ATOM 0 HB3 CYS A 97 29.828 23.785 -27.422 1.00 0.00 H new ATOM 1423 N THR A 98 29.673 26.656 -26.264 1.00 0.00 N ATOM 1424 CA THR A 98 30.493 27.816 -26.605 1.00 0.00 C ATOM 1425 C THR A 98 31.835 27.378 -27.184 1.00 0.00 C ATOM 1426 O THR A 98 32.509 28.150 -27.867 1.00 0.00 O ATOM 1427 CB THR A 98 30.743 28.739 -25.387 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.149 28.877 -25.150 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.072 28.206 -24.130 1.00 0.00 C ATOM 0 H THR A 98 29.738 26.365 -25.289 1.00 0.00 H new ATOM 0 HA THR A 98 29.934 28.381 -27.351 1.00 0.00 H new ATOM 0 HB THR A 98 30.310 29.711 -25.622 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.295 29.464 -24.379 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.270 28.881 -23.297 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.996 28.137 -24.293 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.468 27.217 -23.898 1.00 0.00 H new