USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 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= -0.498 X(o=-0.5,f=-0.4) USER MOD Set 2.1: A 84 THR OG1 : rot 179:sc= -1.07 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 GLN : amide:sc= 0.301 K(o=-0.63,f=-1.2) USER MOD Set 3.2: A 30 THR OG1 : rot -167:sc= -0.936! USER MOD Set 4.1: A 3 HIS :FLIP no HE2:sc= 0.199 F(o=-0.73,f=0.2) USER MOD Set 4.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 27:sc= 0.636! USER MOD Single : A 12 TYR OH : rot -79:sc= 1.23 USER MOD Single : A 16 MET CE :methyl 159:sc= -0.279 (180deg=-0.97) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.9!) 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) USER MOD Single : A 46 THR OG1 : rot 174:sc= 0.43 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.606 X(o=0.61,f=0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0.399 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.0823 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.79) USER MOD Single : A 83 SER OG : rot 118:sc= -2.19! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.42 F(o=-2.5!,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= 0.0428 X(o=0.043,f=-0.06) USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.16) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 86:sc= 1.43 USER MOD Single : A 98 THR OG1 : rot -160:sc= 0.0677 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.697 3.314 -39.923 1.00 0.00 N ATOM 32 CA HIS A 3 46.087 2.655 -38.779 1.00 0.00 C ATOM 33 C HIS A 3 46.477 3.359 -37.483 1.00 0.00 C ATOM 34 O HIS A 3 47.659 3.584 -37.223 1.00 0.00 O ATOM 35 CB HIS A 3 46.527 1.193 -38.728 1.00 0.00 C ATOM 36 CG HIS A 3 45.616 0.264 -39.467 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.317 -0.059 -39.256 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.015 -0.460 -40.570 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 43.961 -0.963 -40.227 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 45.002 -1.188 -41.007 1.00 0.00 N flip ATOM 0 HA HIS A 3 45.003 2.703 -38.887 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.531 1.110 -39.144 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.587 0.877 -37.687 1.00 0.00 H new ATOM 0 HD1 HIS A 3 43.716 0.302 -38.515 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.002 -0.436 -41.009 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.987 -1.416 -40.335 1.00 0.00 H new ATOM 49 N CYS A 4 45.483 3.704 -36.669 1.00 0.00 N ATOM 50 CA CYS A 4 45.744 4.380 -35.402 1.00 0.00 C ATOM 51 C CYS A 4 45.552 3.431 -34.225 1.00 0.00 C ATOM 52 O CYS A 4 44.499 2.811 -34.078 1.00 0.00 O ATOM 53 CB CYS A 4 44.840 5.605 -35.240 1.00 0.00 C ATOM 54 SG CYS A 4 43.298 5.538 -36.210 1.00 0.00 S ATOM 0 H CYS A 4 44.497 3.528 -36.862 1.00 0.00 H new ATOM 0 HA CYS A 4 46.782 4.711 -35.414 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.587 5.717 -34.186 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.399 6.495 -35.530 1.00 0.00 H new ATOM 59 N VAL A 5 46.579 3.322 -33.388 1.00 0.00 N ATOM 60 CA VAL A 5 46.528 2.449 -32.221 1.00 0.00 C ATOM 61 C VAL A 5 46.928 3.200 -30.957 1.00 0.00 C ATOM 62 O VAL A 5 47.831 4.037 -30.981 1.00 0.00 O ATOM 63 CB VAL A 5 47.451 1.227 -32.393 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.388 0.335 -31.164 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.080 0.448 -33.646 1.00 0.00 C ATOM 0 H VAL A 5 47.458 3.828 -33.497 1.00 0.00 H new ATOM 0 HA VAL A 5 45.498 2.106 -32.126 1.00 0.00 H new ATOM 0 HB VAL A 5 48.476 1.582 -32.505 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.046 -0.523 -31.303 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.708 0.899 -30.288 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.365 -0.012 -31.018 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.743 -0.411 -33.750 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.049 0.103 -33.568 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.182 1.093 -34.519 1.00 0.00 H new ATOM 75 N THR A 6 46.251 2.899 -29.854 1.00 0.00 N ATOM 76 CA THR A 6 46.535 3.549 -28.580 1.00 0.00 C ATOM 77 C THR A 6 46.707 2.524 -27.463 1.00 0.00 C ATOM 78 O THR A 6 45.748 1.870 -27.054 1.00 0.00 O ATOM 79 CB THR A 6 45.415 4.532 -28.189 1.00 0.00 C ATOM 80 OG1 THR A 6 45.813 5.299 -27.045 1.00 0.00 O ATOM 81 CG2 THR A 6 44.125 3.783 -27.882 1.00 0.00 C ATOM 0 H THR A 6 45.501 2.208 -29.817 1.00 0.00 H new ATOM 0 HA THR A 6 47.466 4.101 -28.709 1.00 0.00 H new ATOM 0 HB THR A 6 45.237 5.203 -29.030 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.096 5.923 -26.804 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.347 4.496 -27.608 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.811 3.223 -28.763 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.293 3.093 -27.055 1.00 0.00 H new ATOM 89 N ASP A 7 47.937 2.391 -26.973 1.00 0.00 N ATOM 90 CA ASP A 7 48.234 1.445 -25.902 1.00 0.00 C ATOM 91 C ASP A 7 48.403 0.032 -26.451 1.00 0.00 C ATOM 92 O ASP A 7 48.558 -0.924 -25.691 1.00 0.00 O ATOM 93 CB ASP A 7 47.124 1.466 -24.851 1.00 0.00 C ATOM 94 CG ASP A 7 47.646 1.200 -23.452 1.00 0.00 C ATOM 95 OD1 ASP A 7 48.794 1.598 -23.160 1.00 0.00 O ATOM 96 OD2 ASP A 7 46.909 0.590 -22.648 1.00 0.00 O ATOM 0 H ASP A 7 48.742 2.925 -27.300 1.00 0.00 H new ATOM 0 HA ASP A 7 49.172 1.748 -25.437 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.626 2.436 -24.872 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.374 0.717 -25.104 1.00 0.00 H new ATOM 101 N SER A 8 48.373 -0.096 -27.774 1.00 0.00 N ATOM 102 CA SER A 8 48.524 -1.394 -28.418 1.00 0.00 C ATOM 103 C SER A 8 47.348 -2.308 -28.083 1.00 0.00 C ATOM 104 O SER A 8 47.407 -3.518 -28.301 1.00 0.00 O ATOM 105 CB SER A 8 49.837 -2.048 -27.982 1.00 0.00 C ATOM 106 OG SER A 8 49.703 -3.455 -27.892 1.00 0.00 O ATOM 0 H SER A 8 48.246 0.683 -28.420 1.00 0.00 H new ATOM 0 HA SER A 8 48.542 -1.240 -29.497 1.00 0.00 H new ATOM 0 HB2 SER A 8 50.624 -1.800 -28.694 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.143 -1.647 -27.016 1.00 0.00 H new ATOM 0 HG SER A 8 49.001 -3.757 -28.506 1.00 0.00 H new ATOM 112 N GLY A 9 46.282 -1.721 -27.551 1.00 0.00 N ATOM 113 CA GLY A 9 45.109 -2.495 -27.194 1.00 0.00 C ATOM 114 C GLY A 9 44.010 -2.407 -28.236 1.00 0.00 C ATOM 115 O GLY A 9 43.220 -3.337 -28.396 1.00 0.00 O ATOM 0 H GLY A 9 46.210 -0.722 -27.361 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.394 -3.538 -27.060 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.725 -2.144 -26.236 1.00 0.00 H new ATOM 119 N VAL A 10 43.959 -1.284 -28.946 1.00 0.00 N ATOM 120 CA VAL A 10 42.948 -1.077 -29.977 1.00 0.00 C ATOM 121 C VAL A 10 43.588 -0.834 -31.340 1.00 0.00 C ATOM 122 O VAL A 10 44.765 -0.487 -31.431 1.00 0.00 O ATOM 123 CB VAL A 10 42.033 0.111 -29.632 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.858 0.180 -30.596 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.546 0.009 -28.194 1.00 0.00 C ATOM 0 H VAL A 10 44.605 -0.504 -28.826 1.00 0.00 H new ATOM 0 HA VAL A 10 42.351 -1.988 -30.020 1.00 0.00 H new ATOM 0 HB VAL A 10 42.610 1.031 -29.733 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.223 1.027 -30.335 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.229 0.304 -31.613 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.279 -0.741 -30.531 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.900 0.857 -27.968 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.987 -0.918 -28.064 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.402 0.014 -27.519 1.00 0.00 H new ATOM 135 N VAL A 11 42.803 -1.022 -32.397 1.00 0.00 N ATOM 136 CA VAL A 11 43.292 -0.824 -33.757 1.00 0.00 C ATOM 137 C VAL A 11 42.352 0.067 -34.559 1.00 0.00 C ATOM 138 O VAL A 11 41.440 -0.418 -35.230 1.00 0.00 O ATOM 139 CB VAL A 11 43.463 -2.166 -34.494 1.00 0.00 C ATOM 140 CG1 VAL A 11 43.716 -1.935 -35.977 1.00 0.00 C ATOM 141 CG2 VAL A 11 44.591 -2.976 -33.874 1.00 0.00 C ATOM 0 H VAL A 11 41.827 -1.311 -32.338 1.00 0.00 H new ATOM 0 HA VAL A 11 44.263 -0.337 -33.673 1.00 0.00 H new ATOM 0 HB VAL A 11 42.539 -2.735 -34.392 1.00 0.00 H new ATOM 0 HG11 VAL A 11 43.834 -2.895 -36.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.872 -1.399 -36.411 1.00 0.00 H new ATOM 0 HG13 VAL A 11 44.624 -1.345 -36.104 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.697 -3.920 -34.408 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.523 -2.414 -33.942 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.363 -3.175 -32.827 1.00 0.00 H new ATOM 151 N TYR A 12 42.585 1.372 -34.487 1.00 0.00 N ATOM 152 CA TYR A 12 41.765 2.337 -35.210 1.00 0.00 C ATOM 153 C TYR A 12 42.284 2.520 -36.631 1.00 0.00 C ATOM 154 O TYR A 12 43.186 1.806 -37.068 1.00 0.00 O ATOM 155 CB TYR A 12 41.760 3.678 -34.477 1.00 0.00 C ATOM 156 CG TYR A 12 41.080 3.630 -33.131 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.696 3.606 -33.031 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.825 3.603 -31.960 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.072 3.556 -31.799 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.209 3.554 -30.725 1.00 0.00 C ATOM 161 CZ TYR A 12 39.832 3.529 -30.649 1.00 0.00 C ATOM 162 OH TYR A 12 39.215 3.480 -29.421 1.00 0.00 O ATOM 0 H TYR A 12 43.336 1.787 -33.935 1.00 0.00 H new ATOM 0 HA TYR A 12 40.745 1.956 -35.259 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.789 4.013 -34.343 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.262 4.421 -35.100 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.097 3.627 -33.930 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.903 3.621 -32.016 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.994 3.538 -31.737 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.803 3.535 -29.823 1.00 0.00 H new ATOM 0 HH TYR A 12 38.892 4.374 -29.181 1.00 0.00 H new ATOM 172 N SER A 13 41.712 3.481 -37.350 1.00 0.00 N ATOM 173 CA SER A 13 42.126 3.751 -38.721 1.00 0.00 C ATOM 174 C SER A 13 42.238 5.249 -38.975 1.00 0.00 C ATOM 175 O SER A 13 41.538 6.049 -38.355 1.00 0.00 O ATOM 176 CB SER A 13 41.139 3.127 -39.706 1.00 0.00 C ATOM 177 OG SER A 13 41.444 1.764 -39.941 1.00 0.00 O ATOM 0 H SER A 13 40.964 4.083 -37.007 1.00 0.00 H new ATOM 0 HA SER A 13 43.109 3.304 -38.869 1.00 0.00 H new ATOM 0 HB2 SER A 13 40.126 3.213 -39.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 41.164 3.676 -40.647 1.00 0.00 H new ATOM 0 HG SER A 13 40.797 1.388 -40.573 1.00 0.00 H new ATOM 183 N VAL A 14 43.129 5.620 -39.889 1.00 0.00 N ATOM 184 CA VAL A 14 43.344 7.021 -40.229 1.00 0.00 C ATOM 185 C VAL A 14 42.025 7.781 -40.318 1.00 0.00 C ATOM 186 O VAL A 14 41.423 7.879 -41.386 1.00 0.00 O ATOM 187 CB VAL A 14 44.100 7.160 -41.566 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.523 6.211 -42.605 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.054 8.599 -42.062 1.00 0.00 C ATOM 0 H VAL A 14 43.715 4.967 -40.409 1.00 0.00 H new ATOM 0 HA VAL A 14 43.947 7.451 -39.430 1.00 0.00 H new ATOM 0 HB VAL A 14 45.144 6.892 -41.401 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.068 6.322 -43.542 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.616 5.184 -42.251 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.471 6.445 -42.767 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.593 8.676 -43.006 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.017 8.900 -42.211 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.519 9.253 -41.325 1.00 0.00 H new ATOM 199 N GLY A 15 41.588 8.322 -39.187 1.00 0.00 N ATOM 200 CA GLY A 15 40.349 9.076 -39.153 1.00 0.00 C ATOM 201 C GLY A 15 39.158 8.235 -38.741 1.00 0.00 C ATOM 202 O GLY A 15 38.107 8.278 -39.380 1.00 0.00 O ATOM 0 H GLY A 15 42.071 8.252 -38.291 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.456 9.910 -38.459 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.162 9.503 -40.138 1.00 0.00 H new ATOM 206 N MET A 16 39.318 7.470 -37.667 1.00 0.00 N ATOM 207 CA MET A 16 38.243 6.622 -37.170 1.00 0.00 C ATOM 208 C MET A 16 37.596 7.240 -35.936 1.00 0.00 C ATOM 209 O MET A 16 36.443 6.948 -35.615 1.00 0.00 O ATOM 210 CB MET A 16 38.776 5.227 -36.837 1.00 0.00 C ATOM 211 CG MET A 16 37.695 4.261 -36.379 1.00 0.00 C ATOM 212 SD MET A 16 37.418 2.922 -37.554 1.00 0.00 S ATOM 213 CE MET A 16 38.579 1.702 -36.950 1.00 0.00 C ATOM 0 H MET A 16 40.181 7.420 -37.125 1.00 0.00 H new ATOM 0 HA MET A 16 37.489 6.536 -37.952 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.271 4.816 -37.717 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.532 5.312 -36.056 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.975 3.840 -35.413 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.764 4.808 -36.231 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.286 0.714 -37.305 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.578 1.938 -37.316 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.581 1.710 -35.860 1.00 0.00 H new ATOM 223 N GLN A 17 38.346 8.095 -35.249 1.00 0.00 N ATOM 224 CA GLN A 17 37.849 8.758 -34.048 1.00 0.00 C ATOM 225 C GLN A 17 37.354 7.737 -33.030 1.00 0.00 C ATOM 226 O GLN A 17 37.016 6.607 -33.383 1.00 0.00 O ATOM 227 CB GLN A 17 36.723 9.732 -34.403 1.00 0.00 C ATOM 228 CG GLN A 17 37.185 11.176 -34.519 1.00 0.00 C ATOM 229 CD GLN A 17 36.319 12.131 -33.721 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.806 12.836 -32.837 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.029 12.161 -34.030 1.00 0.00 N ATOM 0 H GLN A 17 39.301 8.346 -35.503 1.00 0.00 H new ATOM 0 HA GLN A 17 38.673 9.317 -33.605 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.273 9.426 -35.347 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.944 9.668 -33.643 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.216 11.252 -34.175 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.176 11.473 -35.568 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.668 11.559 -34.770 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.399 12.786 -33.527 1.00 0.00 H new ATOM 240 N TRP A 18 37.315 8.140 -31.765 1.00 0.00 N ATOM 241 CA TRP A 18 36.862 7.255 -30.701 1.00 0.00 C ATOM 242 C TRP A 18 36.930 7.946 -29.343 1.00 0.00 C ATOM 243 O TRP A 18 37.360 9.096 -29.238 1.00 0.00 O ATOM 244 CB TRP A 18 37.700 5.976 -30.684 1.00 0.00 C ATOM 245 CG TRP A 18 39.055 6.159 -30.075 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.355 6.191 -28.743 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.296 6.333 -30.771 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.703 6.372 -28.569 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.303 6.466 -29.797 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.655 6.389 -32.122 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.643 6.653 -30.131 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.985 6.574 -32.451 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.965 6.703 -31.460 1.00 0.00 C ATOM 0 H TRP A 18 37.591 9.071 -31.453 1.00 0.00 H new ATOM 0 HA TRP A 18 35.821 6.997 -30.898 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.162 5.206 -30.131 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.815 5.613 -31.705 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.636 6.089 -27.944 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.182 6.428 -27.670 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.907 6.289 -32.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.400 6.755 -29.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.273 6.620 -33.491 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.996 6.845 -31.750 1.00 0.00 H new ATOM 264 N LEU A 19 36.501 7.235 -28.306 1.00 0.00 N ATOM 265 CA LEU A 19 36.507 7.774 -26.951 1.00 0.00 C ATOM 266 C LEU A 19 37.242 6.839 -26.001 1.00 0.00 C ATOM 267 O LEU A 19 37.181 5.618 -26.147 1.00 0.00 O ATOM 268 CB LEU A 19 35.073 7.986 -26.460 1.00 0.00 C ATOM 269 CG LEU A 19 34.932 8.883 -25.228 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.755 10.336 -25.642 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.763 8.427 -24.368 1.00 0.00 C ATOM 0 H LEU A 19 36.144 6.282 -28.378 1.00 0.00 H new ATOM 0 HA LEU A 19 37.026 8.732 -26.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.488 8.417 -27.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.636 7.013 -26.233 1.00 0.00 H new ATOM 0 HG LEU A 19 35.845 8.803 -24.638 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.656 10.958 -24.753 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.623 10.659 -26.216 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.858 10.433 -26.254 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.678 9.076 -23.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.842 8.477 -24.949 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.930 7.401 -24.041 1.00 0.00 H new ATOM 283 N LYS A 20 37.933 7.416 -25.028 1.00 0.00 N ATOM 284 CA LYS A 20 38.676 6.628 -24.054 1.00 0.00 C ATOM 285 C LYS A 20 38.259 6.993 -22.633 1.00 0.00 C ATOM 286 O LYS A 20 37.984 8.155 -22.333 1.00 0.00 O ATOM 287 CB LYS A 20 40.177 6.846 -24.230 1.00 0.00 C ATOM 288 CG LYS A 20 40.675 8.129 -23.595 1.00 0.00 C ATOM 289 CD LYS A 20 42.146 8.360 -23.891 1.00 0.00 C ATOM 290 CE LYS A 20 42.964 8.399 -22.612 1.00 0.00 C ATOM 291 NZ LYS A 20 44.207 7.587 -22.721 1.00 0.00 N ATOM 0 H LYS A 20 37.995 8.425 -24.892 1.00 0.00 H new ATOM 0 HA LYS A 20 38.448 5.575 -24.222 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.713 6.002 -23.796 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.413 6.860 -25.294 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.091 8.971 -23.967 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.522 8.086 -22.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.518 7.567 -24.540 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.268 9.298 -24.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.225 9.432 -22.379 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.360 8.028 -21.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.736 7.640 -21.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.958 6.596 -22.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.796 7.956 -23.495 1.00 0.00 H new ATOM 379 N GLN A 26 38.045 10.602 -18.207 1.00 0.00 N ATOM 380 CA GLN A 26 37.255 10.824 -19.412 1.00 0.00 C ATOM 381 C GLN A 26 38.069 11.597 -20.444 1.00 0.00 C ATOM 382 O GLN A 26 38.653 12.636 -20.135 1.00 0.00 O ATOM 383 CB GLN A 26 35.969 11.582 -19.072 1.00 0.00 C ATOM 384 CG GLN A 26 34.704 10.787 -19.354 1.00 0.00 C ATOM 385 CD GLN A 26 34.083 10.211 -18.096 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.968 8.994 -17.948 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.678 11.085 -17.182 1.00 0.00 N ATOM 0 HA GLN A 26 36.987 9.856 -19.835 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.987 11.858 -18.018 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.941 12.509 -19.644 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.978 11.431 -19.851 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.936 9.976 -20.044 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.793 12.085 -17.346 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.252 10.756 -16.315 1.00 0.00 H new ATOM 396 N MET A 27 38.120 11.077 -21.666 1.00 0.00 N ATOM 397 CA MET A 27 38.882 11.713 -22.735 1.00 0.00 C ATOM 398 C MET A 27 38.473 11.171 -24.103 1.00 0.00 C ATOM 399 O MET A 27 38.288 9.967 -24.274 1.00 0.00 O ATOM 400 CB MET A 27 40.377 11.471 -22.519 1.00 0.00 C ATOM 401 CG MET A 27 41.200 12.744 -22.458 1.00 0.00 C ATOM 402 SD MET A 27 42.955 12.453 -22.751 1.00 0.00 S ATOM 403 CE MET A 27 43.678 13.320 -21.361 1.00 0.00 C ATOM 0 H MET A 27 37.643 10.218 -21.941 1.00 0.00 H new ATOM 0 HA MET A 27 38.671 12.782 -22.711 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.515 10.915 -21.592 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.755 10.844 -23.326 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.825 13.450 -23.198 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.071 13.208 -21.480 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.764 13.232 -21.402 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.398 14.373 -21.403 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.313 12.884 -20.431 1.00 0.00 H new ATOM 413 N LEU A 28 38.355 12.067 -25.075 1.00 0.00 N ATOM 414 CA LEU A 28 37.993 11.683 -26.434 1.00 0.00 C ATOM 415 C LEU A 28 39.239 11.680 -27.310 1.00 0.00 C ATOM 416 O LEU A 28 39.901 12.704 -27.454 1.00 0.00 O ATOM 417 CB LEU A 28 36.952 12.646 -27.003 1.00 0.00 C ATOM 418 CG LEU A 28 36.346 12.226 -28.342 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.830 12.317 -28.291 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.896 13.089 -29.468 1.00 0.00 C ATOM 0 H LEU A 28 38.505 13.068 -24.947 1.00 0.00 H new ATOM 0 HA LEU A 28 37.561 10.682 -26.417 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.147 12.758 -26.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.413 13.627 -27.122 1.00 0.00 H new ATOM 0 HG LEU A 28 36.622 11.190 -28.537 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.415 12.015 -29.252 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.452 11.658 -27.509 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.534 13.344 -28.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.454 12.777 -30.414 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.649 14.134 -29.279 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.979 12.975 -29.518 1.00 0.00 H new ATOM 432 N CYS A 29 39.568 10.524 -27.876 1.00 0.00 N ATOM 433 CA CYS A 29 40.757 10.401 -28.715 1.00 0.00 C ATOM 434 C CYS A 29 40.402 10.332 -30.197 1.00 0.00 C ATOM 435 O CYS A 29 39.293 9.946 -30.568 1.00 0.00 O ATOM 436 CB CYS A 29 41.553 9.162 -28.308 1.00 0.00 C ATOM 437 SG CYS A 29 42.823 9.477 -27.039 1.00 0.00 S ATOM 0 H CYS A 29 39.032 9.662 -27.771 1.00 0.00 H new ATOM 0 HA CYS A 29 41.365 11.293 -28.564 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.862 8.406 -27.935 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.034 8.746 -29.193 1.00 0.00 H new ATOM 442 N THR A 30 41.361 10.712 -31.039 1.00 0.00 N ATOM 443 CA THR A 30 41.170 10.699 -32.486 1.00 0.00 C ATOM 444 C THR A 30 42.504 10.601 -33.212 1.00 0.00 C ATOM 445 O THR A 30 43.521 11.100 -32.728 1.00 0.00 O ATOM 446 CB THR A 30 40.448 11.969 -32.975 1.00 0.00 C ATOM 447 OG1 THR A 30 39.122 12.026 -32.431 1.00 0.00 O ATOM 448 CG2 THR A 30 40.382 11.997 -34.496 1.00 0.00 C ATOM 0 H THR A 30 42.282 11.034 -30.741 1.00 0.00 H new ATOM 0 HA THR A 30 40.558 9.825 -32.710 1.00 0.00 H new ATOM 0 HB THR A 30 41.013 12.836 -32.633 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.607 12.717 -32.897 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.868 12.902 -34.821 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.393 11.987 -34.904 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.838 11.123 -34.853 1.00 0.00 H new ATOM 456 N CYS A 31 42.496 9.974 -34.382 1.00 0.00 N ATOM 457 CA CYS A 31 43.709 9.838 -35.173 1.00 0.00 C ATOM 458 C CYS A 31 43.598 10.643 -36.461 1.00 0.00 C ATOM 459 O CYS A 31 42.833 10.297 -37.362 1.00 0.00 O ATOM 460 CB CYS A 31 43.996 8.371 -35.486 1.00 0.00 C ATOM 461 SG CYS A 31 42.554 7.417 -36.045 1.00 0.00 S ATOM 0 H CYS A 31 41.666 9.554 -34.801 1.00 0.00 H new ATOM 0 HA CYS A 31 44.540 10.229 -34.587 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.767 8.322 -36.255 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.405 7.897 -34.594 1.00 0.00 H new ATOM 466 N LEU A 32 44.360 11.726 -36.531 1.00 0.00 N ATOM 467 CA LEU A 32 44.347 12.598 -37.700 1.00 0.00 C ATOM 468 C LEU A 32 45.193 12.016 -38.828 1.00 0.00 C ATOM 469 O LEU A 32 44.703 11.234 -39.642 1.00 0.00 O ATOM 470 CB LEU A 32 44.853 13.999 -37.335 1.00 0.00 C ATOM 471 CG LEU A 32 45.727 14.073 -36.082 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.691 15.245 -36.168 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.859 14.183 -34.835 1.00 0.00 C ATOM 0 H LEU A 32 44.996 12.023 -35.791 1.00 0.00 H new ATOM 0 HA LEU A 32 43.316 12.674 -38.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.421 14.393 -38.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.992 14.653 -37.197 1.00 0.00 H new ATOM 0 HG LEU A 32 46.312 13.156 -36.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.303 15.279 -35.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.334 15.124 -37.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 46.128 16.174 -36.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.496 14.235 -33.952 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.248 15.084 -34.895 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.211 13.309 -34.764 1.00 0.00 H new ATOM 485 N GLY A 33 46.464 12.405 -38.877 1.00 0.00 N ATOM 486 CA GLY A 33 47.347 11.909 -39.916 1.00 0.00 C ATOM 487 C GLY A 33 48.746 11.625 -39.409 1.00 0.00 C ATOM 488 O GLY A 33 49.358 10.624 -39.786 1.00 0.00 O ATOM 0 H GLY A 33 46.896 13.052 -38.218 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.926 10.997 -40.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.399 12.640 -40.723 1.00 0.00 H new ATOM 492 N ASN A 34 49.256 12.504 -38.556 1.00 0.00 N ATOM 493 CA ASN A 34 50.594 12.339 -38.000 1.00 0.00 C ATOM 494 C ASN A 34 50.556 11.491 -36.734 1.00 0.00 C ATOM 495 O ASN A 34 51.469 10.709 -36.470 1.00 0.00 O ATOM 496 CB ASN A 34 51.219 13.703 -37.699 1.00 0.00 C ATOM 497 CG ASN A 34 50.590 14.375 -36.495 1.00 0.00 C ATOM 498 OD1 ASN A 34 49.592 15.084 -36.615 1.00 0.00 O ATOM 499 ND2 ASN A 34 51.175 14.156 -35.322 1.00 0.00 N ATOM 0 H ASN A 34 48.765 13.338 -38.234 1.00 0.00 H new ATOM 0 HA ASN A 34 51.206 11.825 -38.741 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.288 13.579 -37.525 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.111 14.349 -38.570 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.797 14.583 -34.476 1.00 0.00 H new ATOM 0 HD22 ASN A 34 52.002 13.561 -35.268 1.00 0.00 H new ATOM 506 N GLY A 35 49.492 11.650 -35.954 1.00 0.00 N ATOM 507 CA GLY A 35 49.354 10.892 -34.725 1.00 0.00 C ATOM 508 C GLY A 35 47.911 10.776 -34.276 1.00 0.00 C ATOM 509 O GLY A 35 47.004 10.660 -35.101 1.00 0.00 O ATOM 0 H GLY A 35 48.723 12.290 -36.151 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.768 9.894 -34.869 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.939 11.370 -33.939 1.00 0.00 H new ATOM 513 N VAL A 36 47.696 10.811 -32.965 1.00 0.00 N ATOM 514 CA VAL A 36 46.353 10.712 -32.409 1.00 0.00 C ATOM 515 C VAL A 36 46.088 11.850 -31.425 1.00 0.00 C ATOM 516 O VAL A 36 46.747 11.959 -30.390 1.00 0.00 O ATOM 517 CB VAL A 36 46.127 9.343 -31.715 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.086 9.440 -30.607 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.717 8.295 -32.735 1.00 0.00 C ATOM 0 H VAL A 36 48.435 10.907 -32.269 1.00 0.00 H new ATOM 0 HA VAL A 36 45.650 10.793 -33.238 1.00 0.00 H new ATOM 0 HB VAL A 36 47.070 9.044 -31.258 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.955 8.462 -30.144 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.420 10.155 -29.855 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.137 9.773 -31.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.562 7.340 -32.233 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.792 8.603 -33.222 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.503 8.189 -33.483 1.00 0.00 H new ATOM 529 N SER A 37 45.111 12.688 -31.756 1.00 0.00 N ATOM 530 CA SER A 37 44.746 13.815 -30.906 1.00 0.00 C ATOM 531 C SER A 37 43.479 13.500 -30.120 1.00 0.00 C ATOM 532 O SER A 37 42.532 12.927 -30.658 1.00 0.00 O ATOM 533 CB SER A 37 44.538 15.072 -31.751 1.00 0.00 C ATOM 534 OG SER A 37 44.712 16.244 -30.973 1.00 0.00 O ATOM 0 H SER A 37 44.557 12.607 -32.609 1.00 0.00 H new ATOM 0 HA SER A 37 45.559 13.994 -30.203 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.243 15.076 -32.583 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.537 15.063 -32.182 1.00 0.00 H new ATOM 0 HG SER A 37 44.575 17.034 -31.537 1.00 0.00 H new ATOM 540 N CYS A 38 43.468 13.869 -28.844 1.00 0.00 N ATOM 541 CA CYS A 38 42.315 13.612 -27.992 1.00 0.00 C ATOM 542 C CYS A 38 41.873 14.877 -27.259 1.00 0.00 C ATOM 543 O CYS A 38 42.522 15.919 -27.353 1.00 0.00 O ATOM 544 CB CYS A 38 42.641 12.507 -26.987 1.00 0.00 C ATOM 545 SG CYS A 38 43.714 11.194 -27.656 1.00 0.00 S ATOM 0 H CYS A 38 44.241 14.345 -28.379 1.00 0.00 H new ATOM 0 HA CYS A 38 41.491 13.287 -28.628 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.126 12.951 -26.118 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.710 12.060 -26.639 1.00 0.00 H new ATOM 550 N GLN A 39 40.761 14.778 -26.535 1.00 0.00 N ATOM 551 CA GLN A 39 40.227 15.914 -25.789 1.00 0.00 C ATOM 552 C GLN A 39 40.083 15.581 -24.306 1.00 0.00 C ATOM 553 O GLN A 39 39.246 14.765 -23.918 1.00 0.00 O ATOM 554 CB GLN A 39 38.872 16.332 -26.364 1.00 0.00 C ATOM 555 CG GLN A 39 38.514 17.784 -26.089 1.00 0.00 C ATOM 556 CD GLN A 39 37.638 18.384 -27.172 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.415 18.433 -27.041 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.261 18.844 -28.251 1.00 0.00 N ATOM 0 H GLN A 39 40.212 13.923 -26.449 1.00 0.00 H new ATOM 0 HA GLN A 39 40.930 16.741 -25.886 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.877 16.166 -27.441 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.096 15.690 -25.946 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.999 17.852 -25.131 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.429 18.370 -26.001 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.277 18.783 -28.318 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.723 19.258 -29.013 1.00 0.00 H new ATOM 636 N GLN A 45 30.281 19.463 -17.021 1.00 0.00 N ATOM 637 CA GLN A 45 29.317 19.498 -15.928 1.00 0.00 C ATOM 638 C GLN A 45 27.894 19.629 -16.462 1.00 0.00 C ATOM 639 O GLN A 45 27.661 19.545 -17.668 1.00 0.00 O ATOM 640 CB GLN A 45 29.629 20.659 -14.980 1.00 0.00 C ATOM 641 CG GLN A 45 31.055 20.644 -14.450 1.00 0.00 C ATOM 642 CD GLN A 45 31.581 22.035 -14.156 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.654 22.418 -14.625 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.830 22.800 -13.373 1.00 0.00 N ATOM 0 HA GLN A 45 29.394 18.560 -15.378 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.453 21.600 -15.501 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.937 20.627 -14.139 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.095 20.045 -13.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.705 20.160 -15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.948 22.443 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.135 23.745 -13.139 1.00 0.00 H new ATOM 653 N THR A 46 26.944 19.835 -15.555 1.00 0.00 N ATOM 654 CA THR A 46 25.543 19.978 -15.932 1.00 0.00 C ATOM 655 C THR A 46 24.773 20.775 -14.886 1.00 0.00 C ATOM 656 O THR A 46 24.819 20.465 -13.696 1.00 0.00 O ATOM 657 CB THR A 46 24.866 18.607 -16.119 1.00 0.00 C ATOM 658 OG1 THR A 46 25.163 17.757 -15.005 1.00 0.00 O ATOM 659 CG2 THR A 46 25.333 17.947 -17.407 1.00 0.00 C ATOM 0 H THR A 46 27.120 19.907 -14.553 1.00 0.00 H new ATOM 0 HA THR A 46 25.524 20.514 -16.881 1.00 0.00 H new ATOM 0 HB THR A 46 23.789 18.762 -16.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.654 16.924 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.842 16.980 -17.519 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.079 18.583 -18.255 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.413 17.804 -17.372 1.00 0.00 H new ATOM 667 N TYR A 47 24.066 21.806 -15.338 1.00 0.00 N ATOM 668 CA TYR A 47 23.288 22.652 -14.440 1.00 0.00 C ATOM 669 C TYR A 47 21.908 22.943 -15.020 1.00 0.00 C ATOM 670 O TYR A 47 21.783 23.366 -16.169 1.00 0.00 O ATOM 671 CB TYR A 47 24.028 23.965 -14.182 1.00 0.00 C ATOM 672 CG TYR A 47 24.256 24.786 -15.431 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.280 25.659 -15.897 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.443 24.688 -16.146 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.481 26.410 -17.040 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.652 25.436 -17.288 1.00 0.00 C ATOM 677 CZ TYR A 47 24.668 26.295 -17.731 1.00 0.00 C ATOM 678 OH TYR A 47 24.872 27.041 -18.870 1.00 0.00 O ATOM 0 H TYR A 47 24.016 22.076 -16.320 1.00 0.00 H new ATOM 0 HA TYR A 47 23.160 22.118 -13.499 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.459 24.558 -13.466 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.991 23.745 -13.721 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.349 25.752 -15.357 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.215 24.016 -15.803 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.712 27.083 -17.390 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.581 25.349 -17.831 1.00 0.00 H new ATOM 0 HH TYR A 47 25.759 26.843 -19.236 1.00 0.00 H new ATOM 688 N GLY A 48 20.877 22.717 -14.214 1.00 0.00 N ATOM 689 CA GLY A 48 19.518 22.964 -14.660 1.00 0.00 C ATOM 690 C GLY A 48 19.089 22.024 -15.768 1.00 0.00 C ATOM 691 O GLY A 48 19.268 20.809 -15.665 1.00 0.00 O ATOM 0 H GLY A 48 20.958 22.367 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.837 22.859 -13.815 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.435 23.993 -15.009 1.00 0.00 H new ATOM 695 N GLY A 49 18.519 22.585 -16.828 1.00 0.00 N ATOM 696 CA GLY A 49 18.071 21.775 -17.945 1.00 0.00 C ATOM 697 C GLY A 49 16.670 21.232 -17.739 1.00 0.00 C ATOM 698 O GLY A 49 16.000 21.577 -16.765 1.00 0.00 O ATOM 0 H GLY A 49 18.359 23.587 -16.934 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.096 22.372 -18.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.762 20.945 -18.089 1.00 0.00 H new ATOM 702 N ASN A 50 16.227 20.382 -18.659 1.00 0.00 N ATOM 703 CA ASN A 50 14.896 19.791 -18.575 1.00 0.00 C ATOM 704 C ASN A 50 14.755 18.946 -17.313 1.00 0.00 C ATOM 705 O ASN A 50 13.644 18.682 -16.852 1.00 0.00 O ATOM 706 CB ASN A 50 14.618 18.934 -19.810 1.00 0.00 C ATOM 707 CG ASN A 50 13.175 19.027 -20.265 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.896 19.325 -21.426 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.249 18.772 -19.349 1.00 0.00 N ATOM 0 H ASN A 50 16.769 20.087 -19.471 1.00 0.00 H new ATOM 0 HA ASN A 50 14.168 20.601 -18.532 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.273 19.249 -20.622 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.860 17.894 -19.590 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.261 18.819 -19.596 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.526 18.529 -18.398 1.00 0.00 H new ATOM 716 N SER A 51 15.887 18.527 -16.758 1.00 0.00 N ATOM 717 CA SER A 51 15.891 17.713 -15.549 1.00 0.00 C ATOM 718 C SER A 51 16.208 18.566 -14.326 1.00 0.00 C ATOM 719 O SER A 51 15.321 18.904 -13.542 1.00 0.00 O ATOM 720 CB SER A 51 16.911 16.581 -15.674 1.00 0.00 C ATOM 721 OG SER A 51 16.328 15.330 -15.352 1.00 0.00 O ATOM 0 H SER A 51 16.814 18.738 -17.127 1.00 0.00 H new ATOM 0 HA SER A 51 14.897 17.283 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.303 16.552 -16.690 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.755 16.773 -15.012 1.00 0.00 H new ATOM 0 HG SER A 51 17.001 14.623 -15.441 1.00 0.00 H new ATOM 727 N ASN A 52 17.481 18.909 -14.175 1.00 0.00 N ATOM 728 CA ASN A 52 17.931 19.724 -13.054 1.00 0.00 C ATOM 729 C ASN A 52 19.451 19.845 -13.053 1.00 0.00 C ATOM 730 O ASN A 52 20.003 20.856 -12.619 1.00 0.00 O ATOM 731 CB ASN A 52 17.457 19.119 -11.731 1.00 0.00 C ATOM 732 CG ASN A 52 17.126 20.177 -10.696 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.807 21.197 -10.595 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.073 19.940 -9.922 1.00 0.00 N ATOM 0 H ASN A 52 18.223 18.634 -14.818 1.00 0.00 H new ATOM 0 HA ASN A 52 17.501 20.720 -13.163 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.576 18.503 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.231 18.460 -11.338 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.801 20.617 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.536 19.081 -10.040 1.00 0.00 H new ATOM 741 N GLY A 53 20.119 18.806 -13.542 1.00 0.00 N ATOM 742 CA GLY A 53 21.569 18.813 -13.591 1.00 0.00 C ATOM 743 C GLY A 53 22.162 17.434 -13.382 1.00 0.00 C ATOM 744 O GLY A 53 23.170 17.283 -12.693 1.00 0.00 O ATOM 0 H GLY A 53 19.682 17.959 -13.905 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.895 19.203 -14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.952 19.490 -12.827 1.00 0.00 H new ATOM 748 N GLU A 54 21.537 16.424 -13.980 1.00 0.00 N ATOM 749 CA GLU A 54 22.010 15.050 -13.855 1.00 0.00 C ATOM 750 C GLU A 54 23.135 14.768 -14.846 1.00 0.00 C ATOM 751 O GLU A 54 23.345 15.525 -15.794 1.00 0.00 O ATOM 752 CB GLU A 54 20.858 14.069 -14.081 1.00 0.00 C ATOM 753 CG GLU A 54 19.761 14.165 -13.033 1.00 0.00 C ATOM 754 CD GLU A 54 20.271 14.658 -11.693 1.00 0.00 C ATOM 755 OE1 GLU A 54 20.824 13.838 -10.929 1.00 0.00 O ATOM 756 OE2 GLU A 54 20.117 15.864 -11.407 1.00 0.00 O ATOM 0 H GLU A 54 20.702 16.532 -14.556 1.00 0.00 H new ATOM 0 HA GLU A 54 22.399 14.917 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.425 14.250 -15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.253 13.053 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.981 14.838 -13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.301 13.185 -12.904 1.00 0.00 H new ATOM 763 N PRO A 55 23.874 13.671 -14.633 1.00 0.00 N ATOM 764 CA PRO A 55 24.986 13.280 -15.506 1.00 0.00 C ATOM 765 C PRO A 55 24.564 13.172 -16.967 1.00 0.00 C ATOM 766 O PRO A 55 23.373 13.108 -17.276 1.00 0.00 O ATOM 767 CB PRO A 55 25.401 11.909 -14.968 1.00 0.00 C ATOM 768 CG PRO A 55 24.939 11.898 -13.552 1.00 0.00 C ATOM 769 CD PRO A 55 23.682 12.723 -13.523 1.00 0.00 C ATOM 0 HA PRO A 55 25.789 14.017 -15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.940 11.104 -15.540 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.480 11.769 -15.033 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.747 10.881 -13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.697 12.317 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.794 12.108 -13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.561 13.238 -12.570 1.00 0.00 H new ATOM 777 N CYS A 56 25.546 13.151 -17.862 1.00 0.00 N ATOM 778 CA CYS A 56 25.276 13.049 -19.292 1.00 0.00 C ATOM 779 C CYS A 56 25.422 11.608 -19.771 1.00 0.00 C ATOM 780 O CYS A 56 26.160 10.819 -19.180 1.00 0.00 O ATOM 781 CB CYS A 56 26.217 13.964 -20.076 1.00 0.00 C ATOM 782 SG CYS A 56 26.178 15.706 -19.541 1.00 0.00 S ATOM 0 H CYS A 56 26.536 13.203 -17.623 1.00 0.00 H new ATOM 0 HA CYS A 56 24.248 13.366 -19.468 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.236 13.588 -19.980 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.958 13.914 -21.133 1.00 0.00 H new ATOM 787 N VAL A 57 24.712 11.271 -20.842 1.00 0.00 N ATOM 788 CA VAL A 57 24.757 9.924 -21.399 1.00 0.00 C ATOM 789 C VAL A 57 25.298 9.930 -22.826 1.00 0.00 C ATOM 790 O VAL A 57 24.639 9.463 -23.755 1.00 0.00 O ATOM 791 CB VAL A 57 23.360 9.270 -21.384 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.471 9.855 -22.472 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.473 7.761 -21.537 1.00 0.00 C ATOM 0 H VAL A 57 24.098 11.913 -21.342 1.00 0.00 H new ATOM 0 HA VAL A 57 25.430 9.341 -20.770 1.00 0.00 H new ATOM 0 HB VAL A 57 22.898 9.485 -20.420 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.492 9.376 -22.439 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.356 10.927 -22.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.927 9.682 -23.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.477 7.318 -21.524 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.962 7.527 -22.483 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.061 7.355 -20.714 1.00 0.00 H new ATOM 803 N LEU A 58 26.505 10.461 -22.996 1.00 0.00 N ATOM 804 CA LEU A 58 27.127 10.526 -24.312 1.00 0.00 C ATOM 805 C LEU A 58 28.157 9.412 -24.496 1.00 0.00 C ATOM 806 O LEU A 58 28.671 8.861 -23.523 1.00 0.00 O ATOM 807 CB LEU A 58 27.790 11.889 -24.521 1.00 0.00 C ATOM 808 CG LEU A 58 28.674 12.368 -23.368 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.829 12.995 -22.273 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.501 11.218 -22.815 1.00 0.00 C ATOM 0 H LEU A 58 27.069 10.851 -22.241 1.00 0.00 H new ATOM 0 HA LEU A 58 26.343 10.391 -25.057 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.394 11.846 -25.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.011 12.632 -24.693 1.00 0.00 H new ATOM 0 HG LEU A 58 29.356 13.127 -23.751 1.00 0.00 H new ATOM 0 HD11 LEU A 58 28.475 13.330 -21.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 27.283 13.847 -22.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.121 12.258 -21.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.123 11.578 -21.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.837 10.435 -22.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.137 10.815 -23.603 1.00 0.00 H new ATOM 822 N PRO A 59 28.468 9.070 -25.758 1.00 0.00 N ATOM 823 CA PRO A 59 27.869 9.712 -26.929 1.00 0.00 C ATOM 824 C PRO A 59 26.397 9.361 -27.098 1.00 0.00 C ATOM 825 O PRO A 59 25.985 8.226 -26.858 1.00 0.00 O ATOM 826 CB PRO A 59 28.676 9.161 -28.110 1.00 0.00 C ATOM 827 CG PRO A 59 29.869 8.500 -27.504 1.00 0.00 C ATOM 828 CD PRO A 59 29.431 8.033 -26.148 1.00 0.00 C ATOM 0 HA PRO A 59 27.902 10.798 -26.843 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.087 8.451 -28.691 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.973 9.960 -28.789 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.206 7.663 -28.116 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.705 9.195 -27.427 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.972 7.045 -26.186 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.266 7.970 -25.450 1.00 0.00 H new ATOM 836 N PHE A 60 25.614 10.344 -27.519 1.00 0.00 N ATOM 837 CA PHE A 60 24.185 10.150 -27.732 1.00 0.00 C ATOM 838 C PHE A 60 23.822 10.454 -29.178 1.00 0.00 C ATOM 839 O PHE A 60 24.695 10.733 -29.997 1.00 0.00 O ATOM 840 CB PHE A 60 23.380 11.047 -26.793 1.00 0.00 C ATOM 841 CG PHE A 60 23.937 12.435 -26.672 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.639 13.400 -27.620 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.759 12.775 -25.611 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.150 14.680 -27.511 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.275 14.051 -25.496 1.00 0.00 C ATOM 846 CZ PHE A 60 24.970 15.006 -26.448 1.00 0.00 C ATOM 0 H PHE A 60 25.945 11.288 -27.721 1.00 0.00 H new ATOM 0 HA PHE A 60 23.942 9.109 -27.517 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.352 11.106 -27.151 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.347 10.589 -25.804 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.000 13.150 -28.454 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.000 12.033 -24.864 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.909 15.424 -28.256 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.916 14.302 -24.664 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.372 16.005 -26.361 1.00 0.00 H new ATOM 856 N THR A 61 22.533 10.405 -29.490 1.00 0.00 N ATOM 857 CA THR A 61 22.075 10.680 -30.844 1.00 0.00 C ATOM 858 C THR A 61 21.017 11.777 -30.858 1.00 0.00 C ATOM 859 O THR A 61 19.983 11.668 -30.198 1.00 0.00 O ATOM 860 CB THR A 61 21.499 9.417 -31.512 1.00 0.00 C ATOM 861 OG1 THR A 61 21.777 8.266 -30.705 1.00 0.00 O ATOM 862 CG2 THR A 61 22.089 9.222 -32.900 1.00 0.00 C ATOM 0 H THR A 61 21.791 10.179 -28.828 1.00 0.00 H new ATOM 0 HA THR A 61 22.946 11.014 -31.408 1.00 0.00 H new ATOM 0 HB THR A 61 20.420 9.543 -31.607 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.406 7.467 -31.135 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.667 8.324 -33.352 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.852 10.086 -33.521 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.171 9.116 -32.824 1.00 0.00 H new ATOM 870 N TYR A 62 21.286 12.834 -31.618 1.00 0.00 N ATOM 871 CA TYR A 62 20.361 13.954 -31.727 1.00 0.00 C ATOM 872 C TYR A 62 20.311 14.471 -33.160 1.00 0.00 C ATOM 873 O TYR A 62 21.346 14.647 -33.802 1.00 0.00 O ATOM 874 CB TYR A 62 20.774 15.082 -30.780 1.00 0.00 C ATOM 875 CG TYR A 62 19.864 16.286 -30.842 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.580 16.239 -30.312 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.286 17.470 -31.433 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.744 17.338 -30.368 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.456 18.573 -31.493 1.00 0.00 C ATOM 880 CZ TYR A 62 18.186 18.502 -30.960 1.00 0.00 C ATOM 881 OH TYR A 62 17.357 19.598 -31.017 1.00 0.00 O ATOM 0 H TYR A 62 22.139 12.937 -32.168 1.00 0.00 H new ATOM 0 HA TYR A 62 19.368 13.604 -31.447 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.790 14.701 -29.759 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.791 15.393 -31.020 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.230 15.328 -29.849 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.279 17.529 -31.853 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.750 17.285 -29.950 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.800 19.486 -31.955 1.00 0.00 H new ATOM 0 HH TYR A 62 16.751 19.590 -30.247 1.00 0.00 H new ATOM 891 N ASN A 63 19.103 14.707 -33.660 1.00 0.00 N ATOM 892 CA ASN A 63 18.925 15.197 -35.021 1.00 0.00 C ATOM 893 C ASN A 63 19.427 14.176 -36.038 1.00 0.00 C ATOM 894 O ASN A 63 19.550 14.478 -37.225 1.00 0.00 O ATOM 895 CB ASN A 63 19.662 16.523 -35.208 1.00 0.00 C ATOM 896 CG ASN A 63 18.926 17.467 -36.136 1.00 0.00 C ATOM 897 OD1 ASN A 63 19.249 17.572 -37.320 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.928 18.161 -35.602 1.00 0.00 N ATOM 0 H ASN A 63 18.234 14.567 -33.144 1.00 0.00 H new ATOM 0 HA ASN A 63 17.859 15.354 -35.187 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.795 17.002 -34.238 1.00 0.00 H new ATOM 0 HB3 ASN A 63 20.658 16.329 -35.607 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.395 18.813 -36.178 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.695 18.043 -34.616 1.00 0.00 H new ATOM 905 N GLY A 64 19.713 12.968 -35.564 1.00 0.00 N ATOM 906 CA GLY A 64 20.197 11.921 -36.446 1.00 0.00 C ATOM 907 C GLY A 64 21.704 11.760 -36.391 1.00 0.00 C ATOM 908 O GLY A 64 22.262 10.869 -37.029 1.00 0.00 O ATOM 0 H GLY A 64 19.619 12.695 -34.586 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.725 10.977 -36.176 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.897 12.146 -37.469 1.00 0.00 H new ATOM 912 N ARG A 65 22.363 12.626 -35.628 1.00 0.00 N ATOM 913 CA ARG A 65 23.815 12.576 -35.494 1.00 0.00 C ATOM 914 C ARG A 65 24.216 12.048 -34.121 1.00 0.00 C ATOM 915 O ARG A 65 23.404 11.451 -33.415 1.00 0.00 O ATOM 916 CB ARG A 65 24.415 13.966 -35.718 1.00 0.00 C ATOM 917 CG ARG A 65 24.008 14.982 -34.664 1.00 0.00 C ATOM 918 CD ARG A 65 23.151 16.088 -35.257 1.00 0.00 C ATOM 919 NE ARG A 65 23.921 17.301 -35.511 1.00 0.00 N ATOM 920 CZ ARG A 65 23.611 18.188 -36.450 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.546 18.000 -37.218 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.364 19.267 -36.622 1.00 0.00 N ATOM 0 H ARG A 65 21.915 13.370 -35.093 1.00 0.00 H new ATOM 0 HA ARG A 65 24.204 11.895 -36.251 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.502 13.885 -35.732 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.110 14.330 -36.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.457 14.481 -33.868 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.900 15.415 -34.211 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.705 15.740 -36.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.331 16.315 -34.576 1.00 0.00 H new ATOM 0 HE ARG A 65 24.744 17.478 -34.935 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.963 17.173 -37.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.310 18.682 -37.938 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.183 19.417 -36.033 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.124 19.947 -37.344 1.00 0.00 H new ATOM 936 N THR A 66 25.475 12.267 -33.750 1.00 0.00 N ATOM 937 CA THR A 66 25.980 11.806 -32.461 1.00 0.00 C ATOM 938 C THR A 66 26.954 12.813 -31.856 1.00 0.00 C ATOM 939 O THR A 66 27.626 13.553 -32.575 1.00 0.00 O ATOM 940 CB THR A 66 26.681 10.441 -32.592 1.00 0.00 C ATOM 941 OG1 THR A 66 25.785 9.487 -33.178 1.00 0.00 O ATOM 942 CG2 THR A 66 27.148 9.934 -31.233 1.00 0.00 C ATOM 0 H THR A 66 26.162 12.759 -34.322 1.00 0.00 H new ATOM 0 HA THR A 66 25.118 11.703 -31.801 1.00 0.00 H new ATOM 0 HB THR A 66 27.554 10.567 -33.233 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.237 8.621 -33.260 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.640 8.969 -31.354 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.850 10.647 -30.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.289 9.823 -30.571 1.00 0.00 H new ATOM 950 N PHE A 67 27.027 12.832 -30.529 1.00 0.00 N ATOM 951 CA PHE A 67 27.920 13.741 -29.822 1.00 0.00 C ATOM 952 C PHE A 67 28.505 13.069 -28.585 1.00 0.00 C ATOM 953 O PHE A 67 27.775 12.711 -27.660 1.00 0.00 O ATOM 954 CB PHE A 67 27.176 15.016 -29.410 1.00 0.00 C ATOM 955 CG PHE A 67 26.118 15.450 -30.387 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.057 14.615 -30.704 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.183 16.700 -30.980 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.083 15.020 -31.596 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.211 17.110 -31.872 1.00 0.00 C ATOM 960 CZ PHE A 67 24.160 16.269 -32.180 1.00 0.00 C ATOM 0 H PHE A 67 26.476 12.226 -29.921 1.00 0.00 H new ATOM 0 HA PHE A 67 28.732 14.006 -30.499 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.713 14.856 -28.436 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.899 15.823 -29.290 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.992 13.638 -30.249 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.003 17.362 -30.742 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.262 14.361 -31.836 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.273 18.087 -32.328 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.399 16.588 -32.877 1.00 0.00 H new ATOM 970 N TYR A 68 29.825 12.903 -28.569 1.00 0.00 N ATOM 971 CA TYR A 68 30.503 12.277 -27.440 1.00 0.00 C ATOM 972 C TYR A 68 30.473 13.187 -26.216 1.00 0.00 C ATOM 973 O TYR A 68 30.909 12.801 -25.131 1.00 0.00 O ATOM 974 CB TYR A 68 31.950 11.943 -27.809 1.00 0.00 C ATOM 975 CG TYR A 68 32.091 10.693 -28.649 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.108 10.331 -29.560 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.205 9.875 -28.528 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.232 9.187 -30.326 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.337 8.731 -29.290 1.00 0.00 C ATOM 980 CZ TYR A 68 32.348 8.390 -30.187 1.00 0.00 C ATOM 981 OH TYR A 68 32.474 7.251 -30.948 1.00 0.00 O ATOM 0 H TYR A 68 30.445 13.193 -29.325 1.00 0.00 H new ATOM 0 HA TYR A 68 29.976 11.354 -27.197 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.381 12.785 -28.351 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.530 11.823 -26.894 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.232 10.953 -29.672 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.982 10.137 -27.826 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.458 8.919 -31.030 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.211 8.106 -29.183 1.00 0.00 H new ATOM 0 HH TYR A 68 33.318 6.803 -30.730 1.00 0.00 H new ATOM 991 N SER A 69 29.954 14.399 -26.396 1.00 0.00 N ATOM 992 CA SER A 69 29.864 15.365 -25.308 1.00 0.00 C ATOM 993 C SER A 69 28.671 16.293 -25.508 1.00 0.00 C ATOM 994 O SER A 69 27.776 16.006 -26.303 1.00 0.00 O ATOM 995 CB SER A 69 31.154 16.183 -25.217 1.00 0.00 C ATOM 996 OG SER A 69 31.229 16.884 -23.989 1.00 0.00 O ATOM 0 H SER A 69 29.589 14.735 -27.287 1.00 0.00 H new ATOM 0 HA SER A 69 29.725 14.817 -24.376 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.015 15.522 -25.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.199 16.890 -26.046 1.00 0.00 H new ATOM 0 HG SER A 69 32.063 17.397 -23.956 1.00 0.00 H new ATOM 1002 N CYS A 70 28.665 17.409 -24.786 1.00 0.00 N ATOM 1003 CA CYS A 70 27.582 18.376 -24.890 1.00 0.00 C ATOM 1004 C CYS A 70 27.591 19.046 -26.260 1.00 0.00 C ATOM 1005 O CYS A 70 28.525 18.866 -27.042 1.00 0.00 O ATOM 1006 CB CYS A 70 27.702 19.430 -23.790 1.00 0.00 C ATOM 1007 SG CYS A 70 27.018 18.905 -22.184 1.00 0.00 S ATOM 0 H CYS A 70 29.398 17.664 -24.124 1.00 0.00 H new ATOM 0 HA CYS A 70 26.637 17.846 -24.768 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.753 19.686 -23.659 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.191 20.337 -24.112 1.00 0.00 H new ATOM 1012 N THR A 71 26.545 19.812 -26.549 1.00 0.00 N ATOM 1013 CA THR A 71 26.438 20.500 -27.830 1.00 0.00 C ATOM 1014 C THR A 71 25.286 21.497 -27.829 1.00 0.00 C ATOM 1015 O THR A 71 24.428 21.471 -26.947 1.00 0.00 O ATOM 1016 CB THR A 71 26.230 19.502 -28.983 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.409 20.163 -30.242 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.839 18.888 -28.920 1.00 0.00 C ATOM 0 H THR A 71 25.761 19.972 -25.916 1.00 0.00 H new ATOM 0 HA THR A 71 27.376 21.034 -27.979 1.00 0.00 H new ATOM 0 HB THR A 71 26.968 18.706 -28.884 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.423 19.498 -30.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.714 18.186 -29.744 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.716 18.362 -27.973 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.090 19.676 -28.997 1.00 0.00 H new ATOM 1026 N THR A 72 25.271 22.370 -28.829 1.00 0.00 N ATOM 1027 CA THR A 72 24.223 23.375 -28.950 1.00 0.00 C ATOM 1028 C THR A 72 23.550 23.294 -30.316 1.00 0.00 C ATOM 1029 O THR A 72 23.424 24.298 -31.018 1.00 0.00 O ATOM 1030 CB THR A 72 24.779 24.797 -28.744 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.147 24.857 -29.166 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.677 25.207 -27.282 1.00 0.00 C ATOM 0 H THR A 72 25.973 22.402 -29.568 1.00 0.00 H new ATOM 0 HA THR A 72 23.490 23.168 -28.171 1.00 0.00 H new ATOM 0 HB THR A 72 24.185 25.486 -29.344 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.491 25.765 -29.033 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.075 26.214 -27.158 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.632 25.189 -26.971 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.250 24.512 -26.668 1.00 0.00 H new ATOM 1040 N GLU A 73 23.126 22.090 -30.691 1.00 0.00 N ATOM 1041 CA GLU A 73 22.473 21.874 -31.979 1.00 0.00 C ATOM 1042 C GLU A 73 20.954 21.869 -31.833 1.00 0.00 C ATOM 1043 O GLU A 73 20.233 21.533 -32.772 1.00 0.00 O ATOM 1044 CB GLU A 73 22.936 20.550 -32.589 1.00 0.00 C ATOM 1045 CG GLU A 73 24.280 20.645 -33.292 1.00 0.00 C ATOM 1046 CD GLU A 73 24.355 21.823 -34.243 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.646 21.803 -35.270 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.122 22.767 -33.958 1.00 0.00 O ATOM 0 H GLU A 73 23.223 21.249 -30.122 1.00 0.00 H new ATOM 0 HA GLU A 73 22.753 22.695 -32.639 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.999 19.798 -31.802 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.186 20.205 -33.301 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.071 20.733 -32.547 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.463 19.724 -33.845 1.00 0.00 H new ATOM 1055 N GLY A 74 20.474 22.241 -30.653 1.00 0.00 N ATOM 1056 CA GLY A 74 19.044 22.269 -30.414 1.00 0.00 C ATOM 1057 C GLY A 74 18.543 23.641 -30.003 1.00 0.00 C ATOM 1058 O GLY A 74 17.360 23.814 -29.711 1.00 0.00 O ATOM 0 H GLY A 74 21.048 22.523 -29.859 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.523 21.953 -31.318 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.796 21.548 -29.635 1.00 0.00 H new ATOM 1122 N HIS A 79 23.851 27.570 -25.469 1.00 0.00 N ATOM 1123 CA HIS A 79 24.002 26.832 -24.222 1.00 0.00 C ATOM 1124 C HIS A 79 24.211 25.347 -24.489 1.00 0.00 C ATOM 1125 O HIS A 79 23.339 24.677 -25.045 1.00 0.00 O ATOM 1126 CB HIS A 79 22.775 27.029 -23.331 1.00 0.00 C ATOM 1127 CG HIS A 79 22.380 28.463 -23.162 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.218 29.515 -23.465 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.226 29.017 -22.719 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.598 30.655 -23.214 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.389 30.380 -22.762 1.00 0.00 N ATOM 0 HA HIS A 79 24.882 27.220 -23.709 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.936 26.478 -23.755 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.976 26.598 -22.350 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.343 28.487 -22.393 1.00 0.00 H new ATOM 0 HE1 HIS A 79 23.010 31.643 -23.355 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.688 31.069 -22.489 1.00 0.00 H new ATOM 1140 N LEU A 80 25.368 24.836 -24.087 1.00 0.00 N ATOM 1141 CA LEU A 80 25.689 23.429 -24.278 1.00 0.00 C ATOM 1142 C LEU A 80 24.747 22.553 -23.461 1.00 0.00 C ATOM 1143 O LEU A 80 24.405 22.884 -22.326 1.00 0.00 O ATOM 1144 CB LEU A 80 27.139 23.156 -23.879 1.00 0.00 C ATOM 1145 CG LEU A 80 28.179 23.484 -24.952 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.875 24.826 -25.597 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.578 23.482 -24.355 1.00 0.00 C ATOM 0 H LEU A 80 26.100 25.377 -23.626 1.00 0.00 H new ATOM 0 HA LEU A 80 25.564 23.187 -25.333 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.368 23.734 -22.984 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.234 22.103 -23.612 1.00 0.00 H new ATOM 0 HG LEU A 80 28.133 22.715 -25.723 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.625 25.042 -26.358 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.889 24.792 -26.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.893 25.607 -24.837 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.305 23.717 -25.132 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.637 24.230 -23.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.795 22.498 -23.940 1.00 0.00 H new ATOM 1159 N TRP A 81 24.324 21.439 -24.045 1.00 0.00 N ATOM 1160 CA TRP A 81 23.413 20.527 -23.365 1.00 0.00 C ATOM 1161 C TRP A 81 23.680 19.079 -23.762 1.00 0.00 C ATOM 1162 O TRP A 81 24.078 18.795 -24.891 1.00 0.00 O ATOM 1163 CB TRP A 81 21.964 20.891 -23.691 1.00 0.00 C ATOM 1164 CG TRP A 81 21.638 20.761 -25.147 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.609 21.764 -26.073 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.293 19.559 -25.845 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.269 21.257 -27.305 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.069 19.906 -27.189 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.153 18.222 -25.462 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.714 18.965 -28.153 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.801 17.289 -26.418 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.584 17.665 -27.750 1.00 0.00 C ATOM 0 H TRP A 81 24.596 21.146 -24.984 1.00 0.00 H new ATOM 0 HA TRP A 81 23.581 20.625 -22.292 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.296 20.249 -23.117 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.773 21.916 -23.372 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.822 22.803 -25.868 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.180 21.798 -28.165 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.317 17.924 -24.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.548 19.252 -29.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.691 16.253 -26.134 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.308 16.912 -28.474 1.00 0.00 H new ATOM 1183 N CYS A 82 23.448 18.169 -22.823 1.00 0.00 N ATOM 1184 CA CYS A 82 23.648 16.745 -23.067 1.00 0.00 C ATOM 1185 C CYS A 82 22.352 15.979 -22.816 1.00 0.00 C ATOM 1186 O CYS A 82 21.281 16.578 -22.719 1.00 0.00 O ATOM 1187 CB CYS A 82 24.768 16.203 -22.176 1.00 0.00 C ATOM 1188 SG CYS A 82 24.486 16.437 -20.391 1.00 0.00 S ATOM 0 H CYS A 82 23.120 18.393 -21.883 1.00 0.00 H new ATOM 0 HA CYS A 82 23.938 16.608 -24.109 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.892 15.139 -22.376 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.703 16.690 -22.451 1.00 0.00 H new ATOM 1193 N SER A 83 22.446 14.657 -22.715 1.00 0.00 N ATOM 1194 CA SER A 83 21.268 13.833 -22.480 1.00 0.00 C ATOM 1195 C SER A 83 21.500 12.859 -21.330 1.00 0.00 C ATOM 1196 O SER A 83 22.498 12.144 -21.302 1.00 0.00 O ATOM 1197 CB SER A 83 20.896 13.065 -23.750 1.00 0.00 C ATOM 1198 OG SER A 83 20.864 11.668 -23.514 1.00 0.00 O ATOM 0 H SER A 83 23.320 14.137 -22.792 1.00 0.00 H new ATOM 0 HA SER A 83 20.444 14.493 -22.208 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.922 13.398 -24.107 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.617 13.287 -24.537 1.00 0.00 H new ATOM 0 HG SER A 83 19.957 11.331 -23.670 1.00 0.00 H new ATOM 1204 N THR A 84 20.565 12.833 -20.385 1.00 0.00 N ATOM 1205 CA THR A 84 20.665 11.942 -19.236 1.00 0.00 C ATOM 1206 C THR A 84 20.224 10.533 -19.614 1.00 0.00 C ATOM 1207 O THR A 84 20.548 9.562 -18.929 1.00 0.00 O ATOM 1208 CB THR A 84 19.807 12.442 -18.059 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.470 11.942 -18.181 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.783 13.964 -18.015 1.00 0.00 C ATOM 0 H THR A 84 19.730 13.419 -20.393 1.00 0.00 H new ATOM 0 HA THR A 84 21.710 11.929 -18.925 1.00 0.00 H new ATOM 0 HB THR A 84 20.249 12.074 -17.133 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.935 12.250 -17.420 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.171 14.294 -17.176 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.799 14.341 -17.894 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.362 14.348 -18.944 1.00 0.00 H new ATOM 1218 N THR A 85 19.485 10.435 -20.713 1.00 0.00 N ATOM 1219 CA THR A 85 18.992 9.153 -21.199 1.00 0.00 C ATOM 1220 C THR A 85 19.218 9.024 -22.703 1.00 0.00 C ATOM 1221 O THR A 85 18.887 9.927 -23.469 1.00 0.00 O ATOM 1222 CB THR A 85 17.492 8.975 -20.893 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.303 8.740 -19.491 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.904 7.819 -21.692 1.00 0.00 C ATOM 0 H THR A 85 19.213 11.233 -21.287 1.00 0.00 H new ATOM 0 HA THR A 85 19.550 8.374 -20.680 1.00 0.00 H new ATOM 0 HB THR A 85 16.976 9.890 -21.182 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.347 8.630 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.845 7.716 -21.457 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.022 8.016 -22.758 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.424 6.897 -21.434 1.00 0.00 H new ATOM 1232 N SER A 86 19.785 7.895 -23.116 1.00 0.00 N ATOM 1233 CA SER A 86 20.055 7.648 -24.528 1.00 0.00 C ATOM 1234 C SER A 86 18.851 8.028 -25.385 1.00 0.00 C ATOM 1235 O SER A 86 18.957 8.854 -26.289 1.00 0.00 O ATOM 1236 CB SER A 86 20.415 6.178 -24.749 1.00 0.00 C ATOM 1237 OG SER A 86 21.339 6.033 -25.814 1.00 0.00 O ATOM 0 H SER A 86 20.066 7.137 -22.494 1.00 0.00 H new ATOM 0 HA SER A 86 20.900 8.269 -24.827 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.841 5.763 -23.835 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.512 5.608 -24.967 1.00 0.00 H new ATOM 0 HG SER A 86 21.554 5.084 -25.934 1.00 0.00 H new ATOM 1243 N ASN A 87 17.708 7.418 -25.092 1.00 0.00 N ATOM 1244 CA ASN A 87 16.484 7.691 -25.836 1.00 0.00 C ATOM 1245 C ASN A 87 15.946 9.081 -25.516 1.00 0.00 C ATOM 1246 O ASN A 87 14.824 9.224 -25.029 1.00 0.00 O ATOM 1247 CB ASN A 87 15.421 6.639 -25.516 1.00 0.00 C ATOM 1248 CG ASN A 87 14.980 5.868 -26.745 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.369 6.568 -27.693 1.00 0.00 O flip ATOM 1250 ND2 ASN A 87 15.187 4.659 -26.840 1.00 0.00 N flip ATOM 0 H ASN A 87 17.603 6.731 -24.345 1.00 0.00 H new ATOM 0 HA ASN A 87 16.722 7.649 -26.899 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.815 5.942 -24.776 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.556 7.126 -25.067 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.661 4.162 -26.086 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.885 4.154 -27.673 1.00 0.00 H new ATOM 1257 N TYR A 88 16.746 10.104 -25.799 1.00 0.00 N ATOM 1258 CA TYR A 88 16.337 11.479 -25.547 1.00 0.00 C ATOM 1259 C TYR A 88 15.260 11.898 -26.540 1.00 0.00 C ATOM 1260 O TYR A 88 14.521 12.856 -26.308 1.00 0.00 O ATOM 1261 CB TYR A 88 17.541 12.422 -25.642 1.00 0.00 C ATOM 1262 CG TYR A 88 17.179 13.846 -26.007 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.928 14.200 -27.326 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.084 14.833 -25.034 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.594 15.497 -27.667 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.750 16.133 -25.366 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.507 16.459 -26.683 1.00 0.00 C ATOM 1268 OH TYR A 88 16.175 17.752 -27.018 1.00 0.00 O ATOM 0 H TYR A 88 17.678 10.006 -26.202 1.00 0.00 H new ATOM 0 HA TYR A 88 15.928 11.540 -24.539 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.064 12.424 -24.686 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.237 12.033 -26.385 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.995 13.449 -28.099 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.274 14.581 -24.001 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.402 15.755 -28.698 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.680 16.889 -24.598 1.00 0.00 H new ATOM 0 HH TYR A 88 16.155 18.305 -26.209 1.00 0.00 H new ATOM 1278 N GLU A 89 15.182 11.171 -27.649 1.00 0.00 N ATOM 1279 CA GLU A 89 14.200 11.461 -28.682 1.00 0.00 C ATOM 1280 C GLU A 89 12.786 11.198 -28.178 1.00 0.00 C ATOM 1281 O GLU A 89 11.820 11.773 -28.680 1.00 0.00 O ATOM 1282 CB GLU A 89 14.475 10.616 -29.928 1.00 0.00 C ATOM 1283 CG GLU A 89 15.906 10.721 -30.430 1.00 0.00 C ATOM 1284 CD GLU A 89 16.168 12.013 -31.179 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.417 12.312 -32.131 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.124 12.729 -30.812 1.00 0.00 O ATOM 0 H GLU A 89 15.788 10.377 -27.854 1.00 0.00 H new ATOM 0 HA GLU A 89 14.283 12.516 -28.941 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.252 9.572 -29.706 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.796 10.924 -30.723 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.590 10.651 -29.584 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.120 9.876 -31.084 1.00 0.00 H new ATOM 1293 N GLN A 90 12.669 10.325 -27.180 1.00 0.00 N ATOM 1294 CA GLN A 90 11.369 9.992 -26.612 1.00 0.00 C ATOM 1295 C GLN A 90 11.312 10.350 -25.130 1.00 0.00 C ATOM 1296 O GLN A 90 10.233 10.550 -24.572 1.00 0.00 O ATOM 1297 CB GLN A 90 11.070 8.504 -26.805 1.00 0.00 C ATOM 1298 CG GLN A 90 11.845 7.601 -25.864 1.00 0.00 C ATOM 1299 CD GLN A 90 11.022 6.428 -25.372 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.294 5.800 -26.141 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.133 6.125 -24.084 1.00 0.00 N ATOM 0 H GLN A 90 13.456 9.838 -26.751 1.00 0.00 H new ATOM 0 HA GLN A 90 10.612 10.577 -27.135 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.003 8.335 -26.661 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.300 8.226 -27.834 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.733 7.228 -26.374 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.189 8.183 -25.009 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.749 6.672 -23.482 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.603 5.345 -23.696 1.00 0.00 H new ATOM 1310 N ASP A 91 12.479 10.434 -24.501 1.00 0.00 N ATOM 1311 CA ASP A 91 12.561 10.772 -23.085 1.00 0.00 C ATOM 1312 C ASP A 91 12.499 12.283 -22.884 1.00 0.00 C ATOM 1313 O ASP A 91 11.656 12.787 -22.141 1.00 0.00 O ATOM 1314 CB ASP A 91 13.853 10.220 -22.482 1.00 0.00 C ATOM 1315 CG ASP A 91 13.853 8.706 -22.400 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.572 8.056 -23.430 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.132 8.170 -21.307 1.00 0.00 O ATOM 0 H ASP A 91 13.381 10.273 -24.949 1.00 0.00 H new ATOM 0 HA ASP A 91 11.709 10.319 -22.578 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.701 10.548 -23.084 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.991 10.635 -21.484 1.00 0.00 H new ATOM 1322 N GLN A 92 13.397 13.000 -23.552 1.00 0.00 N ATOM 1323 CA GLN A 92 13.445 14.454 -23.448 1.00 0.00 C ATOM 1324 C GLN A 92 14.247 14.888 -22.225 1.00 0.00 C ATOM 1325 O GLN A 92 14.266 16.067 -21.869 1.00 0.00 O ATOM 1326 CB GLN A 92 12.030 15.029 -23.377 1.00 0.00 C ATOM 1327 CG GLN A 92 11.957 16.511 -23.708 1.00 0.00 C ATOM 1328 CD GLN A 92 12.634 16.849 -25.021 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.415 17.795 -25.105 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.334 16.074 -26.058 1.00 0.00 N ATOM 0 H GLN A 92 14.101 12.598 -24.171 1.00 0.00 H new ATOM 0 HA GLN A 92 13.941 14.840 -24.339 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.389 14.480 -24.066 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.632 14.869 -22.375 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.912 16.818 -23.752 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.423 17.082 -22.905 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.680 15.299 -25.944 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.757 16.254 -26.968 1.00 0.00 H new ATOM 1339 N LYS A 93 14.912 13.930 -21.586 1.00 0.00 N ATOM 1340 CA LYS A 93 15.718 14.214 -20.405 1.00 0.00 C ATOM 1341 C LYS A 93 17.093 14.732 -20.808 1.00 0.00 C ATOM 1342 O LYS A 93 17.974 13.959 -21.186 1.00 0.00 O ATOM 1343 CB LYS A 93 15.863 12.958 -19.545 1.00 0.00 C ATOM 1344 CG LYS A 93 14.618 12.622 -18.741 1.00 0.00 C ATOM 1345 CD LYS A 93 13.350 12.894 -19.536 1.00 0.00 C ATOM 1346 CE LYS A 93 12.167 12.120 -18.980 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.873 12.610 -19.532 1.00 0.00 N ATOM 0 H LYS A 93 14.908 12.950 -21.867 1.00 0.00 H new ATOM 0 HA LYS A 93 15.212 14.984 -19.822 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.108 12.113 -20.189 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.701 13.091 -18.861 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.646 11.573 -18.447 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.607 13.210 -17.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.129 13.961 -19.517 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.508 12.620 -20.579 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.284 11.062 -19.213 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.154 12.207 -17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.120 11.929 -19.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.643 13.532 -19.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.952 12.711 -20.564 1.00 0.00 H new ATOM 1361 N TYR A 94 17.270 16.047 -20.734 1.00 0.00 N ATOM 1362 CA TYR A 94 18.537 16.668 -21.100 1.00 0.00 C ATOM 1363 C TYR A 94 18.983 17.682 -20.053 1.00 0.00 C ATOM 1364 O TYR A 94 18.176 18.187 -19.273 1.00 0.00 O ATOM 1365 CB TYR A 94 18.410 17.356 -22.462 1.00 0.00 C ATOM 1366 CG TYR A 94 17.765 18.722 -22.391 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.463 19.817 -21.895 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.458 18.917 -22.821 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.875 21.067 -21.828 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.864 20.163 -22.757 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.577 21.235 -22.261 1.00 0.00 C ATOM 1372 OH TYR A 94 15.989 22.477 -22.194 1.00 0.00 O ATOM 0 H TYR A 94 16.553 16.702 -20.424 1.00 0.00 H new ATOM 0 HA TYR A 94 19.290 15.882 -21.155 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.401 17.454 -22.904 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.825 16.721 -23.128 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.481 19.690 -21.557 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.897 18.081 -23.212 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.430 21.908 -21.438 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.847 20.297 -23.094 1.00 0.00 H new ATOM 0 HH TYR A 94 15.073 22.424 -22.539 1.00 0.00 H new ATOM 1382 N SER A 95 20.280 17.978 -20.050 1.00 0.00 N ATOM 1383 CA SER A 95 20.850 18.938 -19.113 1.00 0.00 C ATOM 1384 C SER A 95 21.658 19.993 -19.862 1.00 0.00 C ATOM 1385 O SER A 95 21.670 20.016 -21.091 1.00 0.00 O ATOM 1386 CB SER A 95 21.737 18.225 -18.092 1.00 0.00 C ATOM 1387 OG SER A 95 22.182 16.973 -18.587 1.00 0.00 O ATOM 0 H SER A 95 20.958 17.564 -20.690 1.00 0.00 H new ATOM 0 HA SER A 95 20.034 19.430 -18.584 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.597 18.851 -17.853 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.183 18.077 -17.165 1.00 0.00 H new ATOM 0 HG SER A 95 22.993 17.102 -19.122 1.00 0.00 H new ATOM 1393 N PHE A 96 22.334 20.864 -19.122 1.00 0.00 N ATOM 1394 CA PHE A 96 23.138 21.913 -19.736 1.00 0.00 C ATOM 1395 C PHE A 96 24.625 21.658 -19.528 1.00 0.00 C ATOM 1396 O PHE A 96 25.016 20.661 -18.920 1.00 0.00 O ATOM 1397 CB PHE A 96 22.754 23.280 -19.172 1.00 0.00 C ATOM 1398 CG PHE A 96 21.558 23.884 -19.850 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.474 23.912 -21.233 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.521 24.422 -19.107 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.375 24.464 -21.862 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.418 24.976 -19.731 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.346 24.997 -21.110 1.00 0.00 C ATOM 0 H PHE A 96 22.342 20.865 -18.102 1.00 0.00 H new ATOM 0 HA PHE A 96 22.938 21.904 -20.807 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.548 23.182 -18.106 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.601 23.958 -19.272 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.276 23.498 -21.825 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.574 24.409 -18.028 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.320 24.479 -22.941 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.614 25.391 -19.141 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.486 25.430 -21.600 1.00 0.00 H new ATOM 1413 N CYS A 97 25.450 22.563 -20.042 1.00 0.00 N ATOM 1414 CA CYS A 97 26.897 22.433 -19.918 1.00 0.00 C ATOM 1415 C CYS A 97 27.556 23.799 -19.757 1.00 0.00 C ATOM 1416 O CYS A 97 27.301 24.719 -20.534 1.00 0.00 O ATOM 1417 CB CYS A 97 27.467 21.720 -21.146 1.00 0.00 C ATOM 1418 SG CYS A 97 28.035 20.019 -20.827 1.00 0.00 S ATOM 0 H CYS A 97 25.142 23.394 -20.548 1.00 0.00 H new ATOM 0 HA CYS A 97 27.111 21.842 -19.027 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.705 21.696 -21.925 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.302 22.303 -21.535 1.00 0.00 H new ATOM 1423 N THR A 98 28.405 23.921 -18.742 1.00 0.00 N ATOM 1424 CA THR A 98 29.105 25.169 -18.475 1.00 0.00 C ATOM 1425 C THR A 98 30.188 25.424 -19.518 1.00 0.00 C ATOM 1426 O THR A 98 29.930 26.019 -20.564 1.00 0.00 O ATOM 1427 CB THR A 98 29.749 25.159 -17.079 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.174 23.831 -16.747 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.774 25.659 -16.029 1.00 0.00 C ATOM 0 H THR A 98 28.624 23.168 -18.090 1.00 0.00 H new ATOM 0 HA THR A 98 28.363 25.966 -18.522 1.00 0.00 H new ATOM 0 HB THR A 98 30.612 25.825 -17.096 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.284 23.756 -15.776 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.253 25.642 -15.050 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.473 26.679 -16.268 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.894 25.015 -16.013 1.00 0.00 H new