USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 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 -64:sc= -2.66! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 170:sc= -1.25 (180deg=-1.16) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.43 X(o=-3.5,f=-3.4) USER MOD Set 2.2: A 30 THR OG1 : rot 170:sc= -2.07! USER MOD Set 3.1: A 20 LYS NZ :NH3+ -161:sc= -0.0864 (180deg=-0.543) USER MOD Set 3.2: A 27 MET CE :methyl -167:sc= 0 (180deg=-0.0754) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.944 K(o=-0.94,f=0.16) USER MOD Set 4.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -140:sc= -0.534! USER MOD Single : A 16 MET CE :methyl -158:sc= -4.78! (180deg=-7.86!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -3.85! C(o=-3.8!,f=-13!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.971 K(o=-0.97,f=-4.1!) USER MOD Single : A 45 GLN : amide:sc= -0.485 K(o=-0.48,f=-2.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00105 K(o=-0.001,f=-0.99!) USER MOD Single : A 51 SER OG : rot -40:sc= 0.66 USER MOD Single : A 52 ASN : amide:sc= -2.22! C(o=-2.2!,f=-1.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.105 USER MOD Single : A 63 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 68 TYR OH : rot 30:sc= -0.0827 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -169:sc= 0.527 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.639 K(o=-0.64,f=-1.3!) USER MOD Single : A 83 SER OG : rot -124:sc= -1.15! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -75:sc= 0.159 USER MOD Single : A 87 ASN : amide:sc= -2.43 K(o=-2.4,f=-1.6) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.8) USER MOD Single : A 92 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 86:sc= 1.05 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.374 5.594 -41.534 1.00 0.00 N ATOM 32 CA HIS A 3 44.701 4.666 -40.632 1.00 0.00 C ATOM 33 C HIS A 3 45.080 4.948 -39.182 1.00 0.00 C ATOM 34 O HIS A 3 46.260 5.044 -38.847 1.00 0.00 O ATOM 35 CB HIS A 3 45.061 3.225 -40.994 1.00 0.00 C ATOM 36 CG HIS A 3 43.994 2.517 -41.769 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.127 2.185 -43.101 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.769 2.076 -41.394 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.031 1.570 -43.511 1.00 0.00 C ATOM 40 NE2 HIS A 3 42.193 1.491 -42.494 1.00 0.00 N ATOM 0 HA HIS A 3 43.625 4.804 -40.741 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.982 3.225 -41.577 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.263 2.669 -40.079 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.328 2.168 -40.412 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.852 1.196 -44.508 1.00 0.00 H new ATOM 0 HE2 HIS A 3 41.267 1.064 -42.521 1.00 0.00 H new ATOM 49 N CYS A 4 44.071 5.077 -38.327 1.00 0.00 N ATOM 50 CA CYS A 4 44.300 5.345 -36.911 1.00 0.00 C ATOM 51 C CYS A 4 43.922 4.137 -36.065 1.00 0.00 C ATOM 52 O CYS A 4 42.781 3.684 -36.093 1.00 0.00 O ATOM 53 CB CYS A 4 43.494 6.566 -36.465 1.00 0.00 C ATOM 54 SG CYS A 4 41.937 6.797 -37.386 1.00 0.00 S ATOM 0 H CYS A 4 43.088 5.001 -38.589 1.00 0.00 H new ATOM 0 HA CYS A 4 45.362 5.549 -36.771 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.266 6.471 -35.403 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.110 7.458 -36.581 1.00 0.00 H new ATOM 59 N VAL A 5 44.882 3.622 -35.312 1.00 0.00 N ATOM 60 CA VAL A 5 44.641 2.468 -34.459 1.00 0.00 C ATOM 61 C VAL A 5 45.362 2.618 -33.125 1.00 0.00 C ATOM 62 O VAL A 5 46.402 3.271 -33.042 1.00 0.00 O ATOM 63 CB VAL A 5 45.096 1.161 -35.133 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.533 1.281 -35.620 1.00 0.00 C ATOM 65 CG2 VAL A 5 44.944 -0.011 -34.176 1.00 0.00 C ATOM 0 H VAL A 5 45.835 3.985 -35.274 1.00 0.00 H new ATOM 0 HA VAL A 5 43.566 2.419 -34.288 1.00 0.00 H new ATOM 0 HB VAL A 5 44.460 0.979 -35.999 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.836 0.347 -36.093 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.606 2.094 -36.342 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.188 1.488 -34.774 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.270 -0.927 -34.668 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.554 0.162 -33.290 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.899 -0.109 -33.883 1.00 0.00 H new ATOM 75 N THR A 6 44.802 2.013 -32.085 1.00 0.00 N ATOM 76 CA THR A 6 45.393 2.083 -30.756 1.00 0.00 C ATOM 77 C THR A 6 45.813 0.702 -30.272 1.00 0.00 C ATOM 78 O THR A 6 45.937 -0.234 -31.064 1.00 0.00 O ATOM 79 CB THR A 6 44.414 2.697 -29.739 1.00 0.00 C ATOM 80 OG1 THR A 6 43.596 1.671 -29.164 1.00 0.00 O ATOM 81 CG2 THR A 6 43.531 3.739 -30.406 1.00 0.00 C ATOM 0 H THR A 6 43.941 1.469 -32.137 1.00 0.00 H new ATOM 0 HA THR A 6 46.273 2.722 -30.832 1.00 0.00 H new ATOM 0 HB THR A 6 44.995 3.180 -28.953 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.977 2.070 -28.517 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.846 4.161 -29.670 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.153 4.533 -30.819 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.959 3.272 -31.208 1.00 0.00 H new ATOM 89 N ASP A 7 46.031 0.579 -28.969 1.00 0.00 N ATOM 90 CA ASP A 7 46.437 -0.692 -28.382 1.00 0.00 C ATOM 91 C ASP A 7 45.235 -1.610 -28.179 1.00 0.00 C ATOM 92 O ASP A 7 45.383 -2.757 -27.758 1.00 0.00 O ATOM 93 CB ASP A 7 47.148 -0.458 -27.048 1.00 0.00 C ATOM 94 CG ASP A 7 48.255 -1.463 -26.797 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.166 -1.566 -27.646 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.211 -2.148 -25.754 1.00 0.00 O ATOM 0 H ASP A 7 45.934 1.342 -28.299 1.00 0.00 H new ATOM 0 HA ASP A 7 47.127 -1.177 -29.073 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.565 0.549 -27.034 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.421 -0.513 -26.238 1.00 0.00 H new ATOM 101 N SER A 8 44.044 -1.100 -28.481 1.00 0.00 N ATOM 102 CA SER A 8 42.820 -1.877 -28.332 1.00 0.00 C ATOM 103 C SER A 8 42.531 -2.685 -29.593 1.00 0.00 C ATOM 104 O SER A 8 41.770 -3.652 -29.564 1.00 0.00 O ATOM 105 CB SER A 8 41.641 -0.951 -28.027 1.00 0.00 C ATOM 106 OG SER A 8 41.549 -0.682 -26.639 1.00 0.00 O ATOM 0 H SER A 8 43.902 -0.152 -28.830 1.00 0.00 H new ATOM 0 HA SER A 8 42.957 -2.570 -27.502 1.00 0.00 H new ATOM 0 HB2 SER A 8 41.758 -0.016 -28.575 1.00 0.00 H new ATOM 0 HB3 SER A 8 40.715 -1.410 -28.374 1.00 0.00 H new ATOM 0 HG SER A 8 40.789 -0.087 -26.471 1.00 0.00 H new ATOM 112 N GLY A 9 43.144 -2.279 -30.700 1.00 0.00 N ATOM 113 CA GLY A 9 42.941 -2.971 -31.958 1.00 0.00 C ATOM 114 C GLY A 9 42.069 -2.181 -32.914 1.00 0.00 C ATOM 115 O GLY A 9 42.164 -2.343 -34.131 1.00 0.00 O ATOM 0 H GLY A 9 43.779 -1.482 -30.748 1.00 0.00 H new ATOM 0 HA2 GLY A 9 43.907 -3.163 -32.425 1.00 0.00 H new ATOM 0 HA3 GLY A 9 42.481 -3.941 -31.767 1.00 0.00 H new ATOM 119 N VAL A 10 41.219 -1.322 -32.362 1.00 0.00 N ATOM 120 CA VAL A 10 40.326 -0.501 -33.172 1.00 0.00 C ATOM 121 C VAL A 10 41.080 0.150 -34.326 1.00 0.00 C ATOM 122 O VAL A 10 41.842 1.096 -34.126 1.00 0.00 O ATOM 123 CB VAL A 10 39.648 0.598 -32.332 1.00 0.00 C ATOM 124 CG1 VAL A 10 38.382 1.088 -33.018 1.00 0.00 C ATOM 125 CG2 VAL A 10 39.342 0.093 -30.930 1.00 0.00 C ATOM 0 H VAL A 10 41.129 -1.176 -31.356 1.00 0.00 H new ATOM 0 HA VAL A 10 39.558 -1.166 -33.568 1.00 0.00 H new ATOM 0 HB VAL A 10 40.337 1.438 -32.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.916 1.864 -32.411 1.00 0.00 H new ATOM 0 HG12 VAL A 10 38.633 1.496 -33.997 1.00 0.00 H new ATOM 0 HG13 VAL A 10 37.688 0.256 -33.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.864 0.885 -30.354 1.00 0.00 H new ATOM 0 HG22 VAL A 10 38.674 -0.766 -30.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 40.269 -0.203 -30.439 1.00 0.00 H new ATOM 135 N VAL A 11 40.865 -0.364 -35.531 1.00 0.00 N ATOM 136 CA VAL A 11 41.526 0.166 -36.717 1.00 0.00 C ATOM 137 C VAL A 11 40.723 1.301 -37.342 1.00 0.00 C ATOM 138 O VAL A 11 40.046 1.115 -38.353 1.00 0.00 O ATOM 139 CB VAL A 11 41.751 -0.930 -37.774 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.417 -0.344 -39.009 1.00 0.00 C ATOM 141 CG2 VAL A 11 42.584 -2.064 -37.197 1.00 0.00 C ATOM 0 H VAL A 11 40.238 -1.148 -35.713 1.00 0.00 H new ATOM 0 HA VAL A 11 42.492 0.550 -36.389 1.00 0.00 H new ATOM 0 HB VAL A 11 40.783 -1.336 -38.067 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.570 -1.131 -39.748 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.780 0.432 -39.432 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.380 0.087 -38.733 1.00 0.00 H new ATOM 0 HG21 VAL A 11 42.733 -2.830 -37.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 43.552 -1.678 -36.876 1.00 0.00 H new ATOM 0 HG23 VAL A 11 42.065 -2.498 -36.342 1.00 0.00 H new ATOM 151 N TYR A 12 40.815 2.478 -36.736 1.00 0.00 N ATOM 152 CA TYR A 12 40.111 3.657 -37.228 1.00 0.00 C ATOM 153 C TYR A 12 40.759 4.175 -38.507 1.00 0.00 C ATOM 154 O TYR A 12 41.738 3.608 -38.995 1.00 0.00 O ATOM 155 CB TYR A 12 40.133 4.768 -36.176 1.00 0.00 C ATOM 156 CG TYR A 12 39.378 4.442 -34.913 1.00 0.00 C ATOM 157 CD1 TYR A 12 37.994 4.350 -34.910 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.057 4.232 -33.722 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.304 4.053 -33.749 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.378 3.935 -32.557 1.00 0.00 C ATOM 161 CZ TYR A 12 38.000 3.845 -32.576 1.00 0.00 C ATOM 162 OH TYR A 12 37.320 3.550 -31.417 1.00 0.00 O ATOM 0 H TYR A 12 41.373 2.643 -35.898 1.00 0.00 H new ATOM 0 HA TYR A 12 39.080 3.369 -37.436 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.169 4.989 -35.919 1.00 0.00 H new ATOM 0 HB3 TYR A 12 39.713 5.674 -36.613 1.00 0.00 H new ATOM 0 HD1 TYR A 12 37.448 4.513 -35.827 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.135 4.302 -33.706 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.226 3.984 -33.760 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.921 3.774 -31.637 1.00 0.00 H new ATOM 0 HH TYR A 12 37.733 4.025 -30.666 1.00 0.00 H new ATOM 172 N SER A 13 40.223 5.272 -39.029 1.00 0.00 N ATOM 173 CA SER A 13 40.763 5.886 -40.233 1.00 0.00 C ATOM 174 C SER A 13 40.839 7.399 -40.076 1.00 0.00 C ATOM 175 O SER A 13 40.169 7.982 -39.225 1.00 0.00 O ATOM 176 CB SER A 13 39.924 5.533 -41.457 1.00 0.00 C ATOM 177 OG SER A 13 40.091 4.172 -41.816 1.00 0.00 O ATOM 0 H SER A 13 39.414 5.754 -38.636 1.00 0.00 H new ATOM 0 HA SER A 13 41.769 5.493 -40.381 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.872 5.731 -41.250 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.210 6.171 -42.294 1.00 0.00 H new ATOM 0 HG SER A 13 39.542 3.971 -42.602 1.00 0.00 H new ATOM 183 N VAL A 14 41.672 8.020 -40.895 1.00 0.00 N ATOM 184 CA VAL A 14 41.865 9.460 -40.855 1.00 0.00 C ATOM 185 C VAL A 14 40.540 10.217 -40.729 1.00 0.00 C ATOM 186 O VAL A 14 39.921 10.599 -41.722 1.00 0.00 O ATOM 187 CB VAL A 14 42.639 9.932 -42.104 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.808 9.000 -42.370 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.736 10.000 -43.326 1.00 0.00 C ATOM 0 H VAL A 14 42.231 7.543 -41.603 1.00 0.00 H new ATOM 0 HA VAL A 14 42.451 9.685 -39.964 1.00 0.00 H new ATOM 0 HB VAL A 14 43.013 10.937 -41.909 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.350 9.339 -43.253 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.478 9.002 -41.510 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.436 7.989 -42.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.314 10.336 -44.187 1.00 0.00 H new ATOM 0 HG22 VAL A 14 41.323 9.012 -43.529 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.923 10.701 -43.139 1.00 0.00 H new ATOM 199 N GLY A 15 40.112 10.443 -39.490 1.00 0.00 N ATOM 200 CA GLY A 15 38.875 11.168 -39.260 1.00 0.00 C ATOM 201 C GLY A 15 37.889 10.419 -38.382 1.00 0.00 C ATOM 202 O GLY A 15 36.900 10.995 -37.929 1.00 0.00 O ATOM 0 H GLY A 15 40.597 10.139 -38.646 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.106 12.127 -38.797 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.405 11.382 -40.220 1.00 0.00 H new ATOM 206 N MET A 16 38.149 9.140 -38.137 1.00 0.00 N ATOM 207 CA MET A 16 37.263 8.338 -37.303 1.00 0.00 C ATOM 208 C MET A 16 37.646 8.467 -35.835 1.00 0.00 C ATOM 209 O MET A 16 38.462 7.699 -35.326 1.00 0.00 O ATOM 210 CB MET A 16 37.308 6.872 -37.733 1.00 0.00 C ATOM 211 CG MET A 16 37.190 6.672 -39.235 1.00 0.00 C ATOM 212 SD MET A 16 36.426 5.097 -39.665 1.00 0.00 S ATOM 213 CE MET A 16 36.755 4.151 -38.181 1.00 0.00 C ATOM 0 H MET A 16 38.960 8.639 -38.501 1.00 0.00 H new ATOM 0 HA MET A 16 36.246 8.709 -37.429 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.243 6.430 -37.389 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.500 6.333 -37.239 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.603 7.485 -39.661 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.182 6.726 -39.684 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.711 3.086 -38.411 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.747 4.400 -37.803 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.008 4.390 -37.424 1.00 0.00 H new ATOM 223 N GLN A 17 37.053 9.447 -35.159 1.00 0.00 N ATOM 224 CA GLN A 17 37.336 9.681 -33.747 1.00 0.00 C ATOM 225 C GLN A 17 36.683 8.613 -32.878 1.00 0.00 C ATOM 226 O GLN A 17 36.204 7.595 -33.382 1.00 0.00 O ATOM 227 CB GLN A 17 36.844 11.066 -33.319 1.00 0.00 C ATOM 228 CG GLN A 17 36.651 12.034 -34.475 1.00 0.00 C ATOM 229 CD GLN A 17 36.387 13.453 -34.009 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.752 14.417 -34.681 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.748 13.586 -32.853 1.00 0.00 N ATOM 0 H GLN A 17 36.375 10.091 -35.566 1.00 0.00 H new ATOM 0 HA GLN A 17 38.416 9.631 -33.612 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.899 10.957 -32.787 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.558 11.493 -32.615 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.539 12.022 -35.106 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.818 11.697 -35.091 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.464 12.758 -32.329 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.541 14.516 -32.489 1.00 0.00 H new ATOM 240 N TRP A 18 36.666 8.849 -31.572 1.00 0.00 N ATOM 241 CA TRP A 18 36.068 7.907 -30.634 1.00 0.00 C ATOM 242 C TRP A 18 36.184 8.411 -29.199 1.00 0.00 C ATOM 243 O TRP A 18 36.514 9.574 -28.960 1.00 0.00 O ATOM 244 CB TRP A 18 36.733 6.536 -30.764 1.00 0.00 C ATOM 245 CG TRP A 18 38.193 6.544 -30.428 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.751 6.343 -29.197 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.281 6.762 -31.334 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.118 6.418 -29.285 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.470 6.677 -30.585 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.368 7.019 -32.706 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.728 6.841 -31.163 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.616 7.182 -33.276 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.779 7.092 -32.506 1.00 0.00 C ATOM 0 H TRP A 18 37.059 9.684 -31.138 1.00 0.00 H new ATOM 0 HA TRP A 18 35.010 7.815 -30.878 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.222 5.830 -30.110 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.605 6.175 -31.784 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.198 6.153 -28.289 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.768 6.300 -28.508 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.475 7.089 -33.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.629 6.772 -30.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.694 7.382 -34.334 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.739 7.224 -32.982 1.00 0.00 H new ATOM 264 N LEU A 19 35.914 7.525 -28.248 1.00 0.00 N ATOM 265 CA LEU A 19 35.985 7.871 -26.834 1.00 0.00 C ATOM 266 C LEU A 19 36.772 6.819 -26.068 1.00 0.00 C ATOM 267 O LEU A 19 36.590 5.620 -26.272 1.00 0.00 O ATOM 268 CB LEU A 19 34.581 8.002 -26.238 1.00 0.00 C ATOM 269 CG LEU A 19 34.459 8.986 -25.069 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.612 10.422 -25.548 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.127 8.802 -24.357 1.00 0.00 C ATOM 0 H LEU A 19 35.643 6.559 -28.431 1.00 0.00 H new ATOM 0 HA LEU A 19 36.495 8.830 -26.746 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.896 8.313 -27.027 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.253 7.019 -25.900 1.00 0.00 H new ATOM 0 HG LEU A 19 35.263 8.777 -24.364 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.521 11.100 -24.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.591 10.549 -26.011 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.834 10.647 -26.277 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.056 9.508 -23.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.312 8.981 -25.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.057 7.784 -23.973 1.00 0.00 H new ATOM 283 N LYS A 20 37.648 7.277 -25.188 1.00 0.00 N ATOM 284 CA LYS A 20 38.465 6.374 -24.392 1.00 0.00 C ATOM 285 C LYS A 20 38.150 6.518 -22.907 1.00 0.00 C ATOM 286 O LYS A 20 37.962 7.626 -22.405 1.00 0.00 O ATOM 287 CB LYS A 20 39.948 6.637 -24.646 1.00 0.00 C ATOM 288 CG LYS A 20 40.729 5.388 -25.021 1.00 0.00 C ATOM 289 CD LYS A 20 40.906 4.461 -23.831 1.00 0.00 C ATOM 290 CE LYS A 20 41.879 5.033 -22.814 1.00 0.00 C ATOM 291 NZ LYS A 20 43.219 5.286 -23.412 1.00 0.00 N ATOM 0 H LYS A 20 37.812 8.267 -25.007 1.00 0.00 H new ATOM 0 HA LYS A 20 38.232 5.352 -24.692 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.047 7.372 -25.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.389 7.077 -23.752 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.209 4.860 -25.820 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.707 5.673 -25.410 1.00 0.00 H new ATOM 0 HD2 LYS A 20 39.940 4.291 -23.355 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.267 3.492 -24.175 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.479 5.964 -22.412 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.979 4.341 -21.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.928 5.362 -22.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.471 4.500 -24.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.195 6.173 -23.955 1.00 0.00 H new ATOM 379 N GLN A 26 37.104 9.538 -18.619 1.00 0.00 N ATOM 380 CA GLN A 26 36.928 9.481 -20.065 1.00 0.00 C ATOM 381 C GLN A 26 38.110 10.113 -20.791 1.00 0.00 C ATOM 382 O GLN A 26 39.069 10.567 -20.167 1.00 0.00 O ATOM 383 CB GLN A 26 35.634 10.189 -20.475 1.00 0.00 C ATOM 384 CG GLN A 26 34.600 10.265 -19.367 1.00 0.00 C ATOM 385 CD GLN A 26 33.184 10.374 -19.899 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.550 9.369 -20.221 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.680 11.599 -19.994 1.00 0.00 N ATOM 0 HA GLN A 26 36.870 8.430 -20.349 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.873 11.200 -20.806 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.201 9.668 -21.329 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.681 9.379 -18.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.814 11.126 -18.734 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.241 12.404 -19.716 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.732 11.735 -20.345 1.00 0.00 H new ATOM 396 N MET A 27 38.024 10.135 -22.115 1.00 0.00 N ATOM 397 CA MET A 27 39.070 10.707 -22.952 1.00 0.00 C ATOM 398 C MET A 27 38.678 10.595 -24.419 1.00 0.00 C ATOM 399 O MET A 27 38.658 9.502 -24.982 1.00 0.00 O ATOM 400 CB MET A 27 40.402 9.996 -22.709 1.00 0.00 C ATOM 401 CG MET A 27 41.569 10.950 -22.515 1.00 0.00 C ATOM 402 SD MET A 27 42.922 10.633 -23.664 1.00 0.00 S ATOM 403 CE MET A 27 43.431 8.996 -23.148 1.00 0.00 C ATOM 0 H MET A 27 37.232 9.759 -22.636 1.00 0.00 H new ATOM 0 HA MET A 27 39.188 11.759 -22.692 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.311 9.361 -21.828 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.615 9.340 -23.553 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.221 11.975 -22.643 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.938 10.864 -21.493 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.394 8.755 -23.599 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.522 8.969 -22.062 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.688 8.266 -23.468 1.00 0.00 H new ATOM 413 N LEU A 28 38.354 11.725 -25.032 1.00 0.00 N ATOM 414 CA LEU A 28 37.948 11.737 -26.430 1.00 0.00 C ATOM 415 C LEU A 28 39.155 11.715 -27.349 1.00 0.00 C ATOM 416 O LEU A 28 39.939 12.660 -27.377 1.00 0.00 O ATOM 417 CB LEU A 28 37.089 12.962 -26.729 1.00 0.00 C ATOM 418 CG LEU A 28 36.116 12.777 -27.887 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.682 12.762 -27.382 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.306 13.869 -28.928 1.00 0.00 C ATOM 0 H LEU A 28 38.364 12.642 -24.585 1.00 0.00 H new ATOM 0 HA LEU A 28 37.359 10.838 -26.613 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.525 13.223 -25.834 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.743 13.805 -26.951 1.00 0.00 H new ATOM 0 HG LEU A 28 36.324 11.817 -28.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.001 12.629 -28.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.553 11.940 -26.677 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.462 13.706 -26.883 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.602 13.718 -29.746 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.128 14.842 -28.471 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.325 13.830 -29.314 1.00 0.00 H new ATOM 432 N CYS A 29 39.296 10.629 -28.101 1.00 0.00 N ATOM 433 CA CYS A 29 40.413 10.475 -29.026 1.00 0.00 C ATOM 434 C CYS A 29 39.961 10.684 -30.470 1.00 0.00 C ATOM 435 O CYS A 29 38.939 10.146 -30.894 1.00 0.00 O ATOM 436 CB CYS A 29 41.026 9.082 -28.875 1.00 0.00 C ATOM 437 SG CYS A 29 42.465 8.988 -27.755 1.00 0.00 S ATOM 0 H CYS A 29 38.649 9.841 -28.088 1.00 0.00 H new ATOM 0 HA CYS A 29 41.161 11.231 -28.786 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.257 8.401 -28.511 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.328 8.726 -29.860 1.00 0.00 H new ATOM 442 N THR A 30 40.736 11.459 -31.222 1.00 0.00 N ATOM 443 CA THR A 30 40.422 11.728 -32.621 1.00 0.00 C ATOM 444 C THR A 30 41.661 11.591 -33.490 1.00 0.00 C ATOM 445 O THR A 30 42.739 12.062 -33.129 1.00 0.00 O ATOM 446 CB THR A 30 39.846 13.141 -32.825 1.00 0.00 C ATOM 447 OG1 THR A 30 38.604 13.275 -32.122 1.00 0.00 O ATOM 448 CG2 THR A 30 39.632 13.422 -34.310 1.00 0.00 C ATOM 0 H THR A 30 41.586 11.912 -30.886 1.00 0.00 H new ATOM 0 HA THR A 30 39.672 10.993 -32.912 1.00 0.00 H new ATOM 0 HB THR A 30 40.560 13.864 -32.430 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.327 14.215 -32.123 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.224 14.425 -34.435 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.584 13.349 -34.835 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.934 12.693 -34.721 1.00 0.00 H new ATOM 456 N CYS A 31 41.503 10.957 -34.643 1.00 0.00 N ATOM 457 CA CYS A 31 42.615 10.783 -35.559 1.00 0.00 C ATOM 458 C CYS A 31 42.445 11.682 -36.775 1.00 0.00 C ATOM 459 O CYS A 31 41.567 11.466 -37.610 1.00 0.00 O ATOM 460 CB CYS A 31 42.750 9.323 -35.982 1.00 0.00 C ATOM 461 SG CYS A 31 41.296 8.637 -36.822 1.00 0.00 S ATOM 0 H CYS A 31 40.621 10.558 -34.963 1.00 0.00 H new ATOM 0 HA CYS A 31 43.531 11.069 -35.042 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.612 9.229 -36.643 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.959 8.721 -35.098 1.00 0.00 H new ATOM 466 N LEU A 32 43.292 12.697 -36.854 1.00 0.00 N ATOM 467 CA LEU A 32 43.245 13.653 -37.953 1.00 0.00 C ATOM 468 C LEU A 32 43.914 13.083 -39.201 1.00 0.00 C ATOM 469 O LEU A 32 43.277 12.397 -39.999 1.00 0.00 O ATOM 470 CB LEU A 32 43.923 14.968 -37.549 1.00 0.00 C ATOM 471 CG LEU A 32 44.930 14.858 -36.400 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.007 15.923 -36.522 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.218 14.964 -35.058 1.00 0.00 C ATOM 0 H LEU A 32 44.024 12.881 -36.168 1.00 0.00 H new ATOM 0 HA LEU A 32 42.198 13.850 -38.182 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.434 15.377 -38.421 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.151 15.684 -37.267 1.00 0.00 H new ATOM 0 HG LEU A 32 45.412 13.882 -36.459 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.711 15.825 -35.695 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.537 15.798 -37.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.547 16.911 -36.492 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.947 14.884 -34.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.708 15.925 -34.992 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.489 14.159 -34.969 1.00 0.00 H new ATOM 485 N GLY A 33 45.202 13.370 -39.363 1.00 0.00 N ATOM 486 CA GLY A 33 45.930 12.875 -40.519 1.00 0.00 C ATOM 487 C GLY A 33 47.394 12.625 -40.219 1.00 0.00 C ATOM 488 O GLY A 33 47.983 11.669 -40.724 1.00 0.00 O ATOM 0 H GLY A 33 45.754 13.935 -38.717 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.470 11.949 -40.865 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.847 13.596 -41.333 1.00 0.00 H new ATOM 492 N ASN A 34 47.982 13.484 -39.395 1.00 0.00 N ATOM 493 CA ASN A 34 49.385 13.352 -39.025 1.00 0.00 C ATOM 494 C ASN A 34 49.530 12.575 -37.721 1.00 0.00 C ATOM 495 O ASN A 34 50.615 12.103 -37.383 1.00 0.00 O ATOM 496 CB ASN A 34 50.033 14.731 -38.888 1.00 0.00 C ATOM 497 CG ASN A 34 49.070 15.777 -38.361 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.909 15.831 -38.768 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.549 16.617 -37.450 1.00 0.00 N ATOM 0 H ASN A 34 47.508 14.281 -38.970 1.00 0.00 H new ATOM 0 HA ASN A 34 49.893 12.800 -39.815 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.890 14.661 -38.218 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.413 15.048 -39.859 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.948 17.343 -37.059 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.518 16.536 -37.141 1.00 0.00 H new ATOM 506 N GLY A 35 48.425 12.447 -36.992 1.00 0.00 N ATOM 507 CA GLY A 35 48.447 11.727 -35.733 1.00 0.00 C ATOM 508 C GLY A 35 47.072 11.621 -35.101 1.00 0.00 C ATOM 509 O GLY A 35 46.062 11.908 -35.745 1.00 0.00 O ATOM 0 H GLY A 35 47.516 12.829 -37.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.846 10.726 -35.897 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.123 12.230 -35.042 1.00 0.00 H new ATOM 513 N VAL A 36 47.035 11.213 -33.837 1.00 0.00 N ATOM 514 CA VAL A 36 45.777 11.075 -33.114 1.00 0.00 C ATOM 515 C VAL A 36 45.789 11.925 -31.845 1.00 0.00 C ATOM 516 O VAL A 36 46.561 11.670 -30.921 1.00 0.00 O ATOM 517 CB VAL A 36 45.490 9.597 -32.749 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.510 9.497 -31.587 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.959 8.843 -33.955 1.00 0.00 C ATOM 0 H VAL A 36 47.863 10.972 -33.292 1.00 0.00 H new ATOM 0 HA VAL A 36 44.983 11.425 -33.774 1.00 0.00 H new ATOM 0 HB VAL A 36 46.430 9.141 -32.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.328 8.448 -31.354 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.930 9.996 -30.713 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.570 9.976 -31.861 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.763 7.807 -33.679 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.034 9.308 -34.297 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.697 8.872 -34.756 1.00 0.00 H new ATOM 529 N SER A 37 44.924 12.933 -31.810 1.00 0.00 N ATOM 530 CA SER A 37 44.828 13.820 -30.658 1.00 0.00 C ATOM 531 C SER A 37 43.554 13.536 -29.871 1.00 0.00 C ATOM 532 O SER A 37 42.501 13.277 -30.454 1.00 0.00 O ATOM 533 CB SER A 37 44.847 15.283 -31.111 1.00 0.00 C ATOM 534 OG SER A 37 44.848 16.161 -30.001 1.00 0.00 O ATOM 0 H SER A 37 44.279 13.156 -32.568 1.00 0.00 H new ATOM 0 HA SER A 37 45.687 13.639 -30.012 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.730 15.466 -31.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.978 15.484 -31.737 1.00 0.00 H new ATOM 0 HG SER A 37 44.862 17.088 -30.317 1.00 0.00 H new ATOM 540 N CYS A 38 43.653 13.577 -28.547 1.00 0.00 N ATOM 541 CA CYS A 38 42.498 13.312 -27.697 1.00 0.00 C ATOM 542 C CYS A 38 42.357 14.361 -26.600 1.00 0.00 C ATOM 543 O CYS A 38 43.287 15.120 -26.327 1.00 0.00 O ATOM 544 CB CYS A 38 42.607 11.924 -27.068 1.00 0.00 C ATOM 545 SG CYS A 38 43.487 10.706 -28.096 1.00 0.00 S ATOM 0 H CYS A 38 44.513 13.789 -28.042 1.00 0.00 H new ATOM 0 HA CYS A 38 41.611 13.356 -28.328 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.119 12.011 -26.109 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.604 11.551 -26.861 1.00 0.00 H new ATOM 550 N GLN A 39 41.185 14.389 -25.973 1.00 0.00 N ATOM 551 CA GLN A 39 40.917 15.337 -24.899 1.00 0.00 C ATOM 552 C GLN A 39 40.820 14.619 -23.556 1.00 0.00 C ATOM 553 O GLN A 39 39.877 13.865 -23.310 1.00 0.00 O ATOM 554 CB GLN A 39 39.621 16.099 -25.176 1.00 0.00 C ATOM 555 CG GLN A 39 39.549 16.689 -26.575 1.00 0.00 C ATOM 556 CD GLN A 39 38.194 16.484 -27.223 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.100 16.105 -28.391 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.133 16.735 -26.464 1.00 0.00 N ATOM 0 H GLN A 39 40.407 13.766 -26.190 1.00 0.00 H new ATOM 0 HA GLN A 39 41.744 16.045 -24.856 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.776 15.426 -25.030 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.519 16.902 -24.446 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.768 17.756 -26.528 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.319 16.233 -27.198 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.257 17.047 -25.501 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.194 16.615 -26.844 1.00 0.00 H new ATOM 636 N GLN A 45 29.811 20.863 -18.328 1.00 0.00 N ATOM 637 CA GLN A 45 28.879 21.345 -17.311 1.00 0.00 C ATOM 638 C GLN A 45 27.443 20.968 -17.662 1.00 0.00 C ATOM 639 O GLN A 45 27.185 20.357 -18.699 1.00 0.00 O ATOM 640 CB GLN A 45 28.992 22.865 -17.161 1.00 0.00 C ATOM 641 CG GLN A 45 30.147 23.473 -17.940 1.00 0.00 C ATOM 642 CD GLN A 45 31.496 23.116 -17.350 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.587 22.320 -16.416 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.554 23.704 -17.893 1.00 0.00 N ATOM 0 HA GLN A 45 29.141 20.871 -16.365 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.061 23.324 -17.493 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.109 23.109 -16.105 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.104 23.130 -18.974 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.038 24.557 -17.959 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.433 24.358 -18.666 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.488 23.502 -17.537 1.00 0.00 H new ATOM 653 N THR A 46 26.511 21.341 -16.790 1.00 0.00 N ATOM 654 CA THR A 46 25.097 21.048 -17.003 1.00 0.00 C ATOM 655 C THR A 46 24.218 21.906 -16.099 1.00 0.00 C ATOM 656 O THR A 46 24.617 22.264 -14.990 1.00 0.00 O ATOM 657 CB THR A 46 24.786 19.562 -16.742 1.00 0.00 C ATOM 658 OG1 THR A 46 25.275 19.178 -15.451 1.00 0.00 O ATOM 659 CG2 THR A 46 25.417 18.680 -17.811 1.00 0.00 C ATOM 0 H THR A 46 26.710 21.848 -15.927 1.00 0.00 H new ATOM 0 HA THR A 46 24.878 21.279 -18.046 1.00 0.00 H new ATOM 0 HB THR A 46 23.705 19.429 -16.775 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.072 18.233 -15.292 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.184 17.635 -17.605 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.022 18.954 -18.789 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.498 18.818 -17.805 1.00 0.00 H new ATOM 667 N TYR A 47 23.023 22.237 -16.578 1.00 0.00 N ATOM 668 CA TYR A 47 22.093 23.056 -15.809 1.00 0.00 C ATOM 669 C TYR A 47 20.739 23.150 -16.506 1.00 0.00 C ATOM 670 O TYR A 47 20.666 23.293 -17.726 1.00 0.00 O ATOM 671 CB TYR A 47 22.670 24.458 -15.604 1.00 0.00 C ATOM 672 CG TYR A 47 22.679 25.301 -16.860 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.564 26.042 -17.230 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.803 25.355 -17.675 1.00 0.00 C ATOM 675 CE1 TYR A 47 21.568 26.813 -18.377 1.00 0.00 C ATOM 676 CE2 TYR A 47 23.815 26.125 -18.822 1.00 0.00 C ATOM 677 CZ TYR A 47 22.695 26.851 -19.170 1.00 0.00 C ATOM 678 OH TYR A 47 22.704 27.618 -20.311 1.00 0.00 O ATOM 0 H TYR A 47 22.676 21.951 -17.494 1.00 0.00 H new ATOM 0 HA TYR A 47 21.948 22.581 -14.839 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.090 24.971 -14.837 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.689 24.370 -15.228 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.679 26.015 -16.611 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.681 24.786 -17.408 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.692 27.383 -18.651 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.698 26.158 -19.444 1.00 0.00 H new ATOM 0 HH TYR A 47 23.574 27.535 -20.754 1.00 0.00 H new ATOM 688 N GLY A 48 19.669 23.070 -15.720 1.00 0.00 N ATOM 689 CA GLY A 48 18.329 23.150 -16.275 1.00 0.00 C ATOM 690 C GLY A 48 18.033 22.026 -17.249 1.00 0.00 C ATOM 691 O GLY A 48 17.729 20.906 -16.841 1.00 0.00 O ATOM 0 H GLY A 48 19.706 22.951 -14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.602 23.124 -15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.206 24.107 -16.782 1.00 0.00 H new ATOM 695 N GLY A 49 18.121 22.328 -18.540 1.00 0.00 N ATOM 696 CA GLY A 49 17.854 21.326 -19.554 1.00 0.00 C ATOM 697 C GLY A 49 16.509 20.653 -19.363 1.00 0.00 C ATOM 698 O GLY A 49 15.491 21.324 -19.200 1.00 0.00 O ATOM 0 H GLY A 49 18.372 23.248 -18.902 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.887 21.792 -20.539 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.641 20.572 -19.532 1.00 0.00 H new ATOM 702 N ASN A 50 16.505 19.325 -19.384 1.00 0.00 N ATOM 703 CA ASN A 50 15.274 18.563 -19.212 1.00 0.00 C ATOM 704 C ASN A 50 15.447 17.471 -18.161 1.00 0.00 C ATOM 705 O ASN A 50 14.565 16.633 -17.972 1.00 0.00 O ATOM 706 CB ASN A 50 14.844 17.942 -20.543 1.00 0.00 C ATOM 707 CG ASN A 50 13.951 18.864 -21.347 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.042 20.087 -21.237 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.079 18.282 -22.161 1.00 0.00 N ATOM 0 H ASN A 50 17.340 18.754 -19.518 1.00 0.00 H new ATOM 0 HA ASN A 50 14.499 19.249 -18.870 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.729 17.696 -21.129 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.318 17.007 -20.352 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.450 18.852 -22.727 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.038 17.265 -22.221 1.00 0.00 H new ATOM 716 N SER A 51 16.587 17.487 -17.477 1.00 0.00 N ATOM 717 CA SER A 51 16.872 16.497 -16.445 1.00 0.00 C ATOM 718 C SER A 51 17.465 17.157 -15.204 1.00 0.00 C ATOM 719 O SER A 51 17.973 16.478 -14.311 1.00 0.00 O ATOM 720 CB SER A 51 17.831 15.432 -16.979 1.00 0.00 C ATOM 721 OG SER A 51 17.975 14.366 -16.056 1.00 0.00 O ATOM 0 H SER A 51 17.327 18.174 -17.619 1.00 0.00 H new ATOM 0 HA SER A 51 15.932 16.021 -16.166 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.460 15.047 -17.929 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.805 15.881 -17.176 1.00 0.00 H new ATOM 0 HG SER A 51 18.025 14.726 -15.146 1.00 0.00 H new ATOM 727 N ASN A 52 17.397 18.484 -15.154 1.00 0.00 N ATOM 728 CA ASN A 52 17.927 19.233 -14.021 1.00 0.00 C ATOM 729 C ASN A 52 19.430 19.016 -13.879 1.00 0.00 C ATOM 730 O ASN A 52 19.959 18.962 -12.768 1.00 0.00 O ATOM 731 CB ASN A 52 17.213 18.815 -12.734 1.00 0.00 C ATOM 732 CG ASN A 52 17.787 19.493 -11.505 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.564 20.682 -11.276 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.533 18.738 -10.707 1.00 0.00 N ATOM 0 H ASN A 52 16.980 19.062 -15.884 1.00 0.00 H new ATOM 0 HA ASN A 52 17.750 20.293 -14.200 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.153 19.055 -12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.286 17.734 -12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.947 19.139 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.692 17.757 -10.935 1.00 0.00 H new ATOM 741 N GLY A 53 20.115 18.893 -15.011 1.00 0.00 N ATOM 742 CA GLY A 53 21.551 18.685 -14.989 1.00 0.00 C ATOM 743 C GLY A 53 21.928 17.220 -15.103 1.00 0.00 C ATOM 744 O GLY A 53 21.626 16.571 -16.105 1.00 0.00 O ATOM 0 H GLY A 53 19.702 18.934 -15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.008 19.239 -15.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.959 19.091 -14.064 1.00 0.00 H new ATOM 748 N GLU A 54 22.590 16.701 -14.075 1.00 0.00 N ATOM 749 CA GLU A 54 23.009 15.304 -14.063 1.00 0.00 C ATOM 750 C GLU A 54 24.047 15.038 -15.148 1.00 0.00 C ATOM 751 O GLU A 54 24.178 15.806 -16.101 1.00 0.00 O ATOM 752 CB GLU A 54 21.803 14.384 -14.262 1.00 0.00 C ATOM 753 CG GLU A 54 20.922 14.262 -13.030 1.00 0.00 C ATOM 754 CD GLU A 54 21.710 14.340 -11.736 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.313 13.317 -11.347 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.725 15.422 -11.114 1.00 0.00 O ATOM 0 H GLU A 54 22.848 17.226 -13.239 1.00 0.00 H new ATOM 0 HA GLU A 54 23.460 15.096 -13.093 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.203 14.759 -15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.156 13.393 -14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.174 15.055 -13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.383 13.315 -13.066 1.00 0.00 H new ATOM 763 N PRO A 55 24.800 13.937 -15.013 1.00 0.00 N ATOM 764 CA PRO A 55 25.834 13.557 -15.980 1.00 0.00 C ATOM 765 C PRO A 55 25.240 13.015 -17.275 1.00 0.00 C ATOM 766 O PRO A 55 24.502 12.029 -17.265 1.00 0.00 O ATOM 767 CB PRO A 55 26.609 12.462 -15.247 1.00 0.00 C ATOM 768 CG PRO A 55 25.609 11.852 -14.326 1.00 0.00 C ATOM 769 CD PRO A 55 24.697 12.973 -13.903 1.00 0.00 C ATOM 0 HA PRO A 55 26.448 14.405 -16.282 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.009 11.725 -15.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.455 12.874 -14.698 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.050 11.061 -14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 55 26.098 11.400 -13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.673 12.627 -13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 55 25.014 13.414 -12.958 1.00 0.00 H new ATOM 777 N CYS A 56 25.563 13.663 -18.390 1.00 0.00 N ATOM 778 CA CYS A 56 25.054 13.241 -19.689 1.00 0.00 C ATOM 779 C CYS A 56 25.570 11.848 -20.046 1.00 0.00 C ATOM 780 O CYS A 56 26.559 11.378 -19.484 1.00 0.00 O ATOM 781 CB CYS A 56 25.437 14.256 -20.769 1.00 0.00 C ATOM 782 SG CYS A 56 24.770 15.928 -20.471 1.00 0.00 S ATOM 0 H CYS A 56 26.173 14.480 -18.420 1.00 0.00 H new ATOM 0 HA CYS A 56 23.966 13.194 -19.633 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.524 14.314 -20.832 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.080 13.898 -21.735 1.00 0.00 H new ATOM 787 N VAL A 57 24.879 11.185 -20.968 1.00 0.00 N ATOM 788 CA VAL A 57 25.247 9.838 -21.385 1.00 0.00 C ATOM 789 C VAL A 57 25.752 9.807 -22.826 1.00 0.00 C ATOM 790 O VAL A 57 25.079 9.292 -23.719 1.00 0.00 O ATOM 791 CB VAL A 57 24.045 8.887 -21.262 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.970 9.264 -22.267 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.481 7.441 -21.447 1.00 0.00 C ATOM 0 H VAL A 57 24.058 11.561 -21.442 1.00 0.00 H new ATOM 0 HA VAL A 57 26.051 9.512 -20.725 1.00 0.00 H new ATOM 0 HB VAL A 57 23.626 8.984 -20.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.125 8.582 -22.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.637 10.285 -22.078 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.376 9.196 -23.276 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.615 6.785 -21.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.927 7.319 -22.434 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.214 7.182 -20.683 1.00 0.00 H new ATOM 803 N LEU A 58 26.942 10.351 -23.048 1.00 0.00 N ATOM 804 CA LEU A 58 27.524 10.372 -24.387 1.00 0.00 C ATOM 805 C LEU A 58 28.710 9.418 -24.483 1.00 0.00 C ATOM 806 O LEU A 58 29.269 8.996 -23.469 1.00 0.00 O ATOM 807 CB LEU A 58 27.963 11.790 -24.766 1.00 0.00 C ATOM 808 CG LEU A 58 28.169 12.752 -23.595 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.859 12.994 -22.863 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.225 12.212 -22.641 1.00 0.00 C ATOM 0 H LEU A 58 27.520 10.781 -22.326 1.00 0.00 H new ATOM 0 HA LEU A 58 26.756 10.042 -25.087 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.895 11.725 -25.328 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.216 12.216 -25.436 1.00 0.00 H new ATOM 0 HG LEU A 58 28.519 13.705 -23.991 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.027 13.681 -22.034 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.132 13.427 -23.551 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.477 12.048 -22.479 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.359 12.909 -21.814 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.904 11.245 -22.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.169 12.094 -23.172 1.00 0.00 H new ATOM 822 N PRO A 59 29.105 9.062 -25.714 1.00 0.00 N ATOM 823 CA PRO A 59 28.448 9.557 -26.928 1.00 0.00 C ATOM 824 C PRO A 59 27.066 8.946 -27.143 1.00 0.00 C ATOM 825 O PRO A 59 26.911 7.725 -27.144 1.00 0.00 O ATOM 826 CB PRO A 59 29.398 9.120 -28.045 1.00 0.00 C ATOM 827 CG PRO A 59 30.092 7.921 -27.501 1.00 0.00 C ATOM 828 CD PRO A 59 30.227 8.155 -26.022 1.00 0.00 C ATOM 0 HA PRO A 59 28.276 10.632 -26.883 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.853 8.882 -28.958 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.107 9.910 -28.294 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.521 7.015 -27.702 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.069 7.791 -27.966 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.156 7.224 -25.460 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.188 8.606 -25.773 1.00 0.00 H new ATOM 836 N PHE A 60 26.068 9.803 -27.340 1.00 0.00 N ATOM 837 CA PHE A 60 24.702 9.348 -27.575 1.00 0.00 C ATOM 838 C PHE A 60 24.343 9.507 -29.048 1.00 0.00 C ATOM 839 O PHE A 60 25.154 9.981 -29.844 1.00 0.00 O ATOM 840 CB PHE A 60 23.715 10.135 -26.709 1.00 0.00 C ATOM 841 CG PHE A 60 23.970 11.614 -26.701 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.914 12.162 -25.848 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.263 12.458 -27.544 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.150 13.524 -25.836 1.00 0.00 C ATOM 845 CE2 PHE A 60 23.495 13.820 -27.536 1.00 0.00 C ATOM 846 CZ PHE A 60 24.439 14.353 -26.681 1.00 0.00 C ATOM 0 H PHE A 60 26.180 10.817 -27.341 1.00 0.00 H new ATOM 0 HA PHE A 60 24.638 8.294 -27.304 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.702 9.951 -27.068 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.763 9.761 -25.686 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.472 11.518 -25.185 1.00 0.00 H new ATOM 0 HD2 PHE A 60 22.523 12.046 -28.214 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.889 13.939 -25.167 1.00 0.00 H new ATOM 0 HE2 PHE A 60 22.939 14.467 -28.198 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.621 15.417 -26.673 1.00 0.00 H new ATOM 856 N THR A 61 23.127 9.115 -29.409 1.00 0.00 N ATOM 857 CA THR A 61 22.676 9.223 -30.790 1.00 0.00 C ATOM 858 C THR A 61 21.364 9.991 -30.882 1.00 0.00 C ATOM 859 O THR A 61 20.371 9.623 -30.253 1.00 0.00 O ATOM 860 CB THR A 61 22.494 7.836 -31.435 1.00 0.00 C ATOM 861 OG1 THR A 61 23.192 6.846 -30.670 1.00 0.00 O ATOM 862 CG2 THR A 61 23.009 7.836 -32.867 1.00 0.00 C ATOM 0 H THR A 61 22.439 8.721 -28.767 1.00 0.00 H new ATOM 0 HA THR A 61 23.450 9.766 -31.332 1.00 0.00 H new ATOM 0 HB THR A 61 21.430 7.600 -31.448 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.071 5.966 -31.085 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.871 6.847 -33.303 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.457 8.571 -33.452 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.069 8.090 -32.872 1.00 0.00 H new ATOM 870 N TYR A 62 21.368 11.061 -31.668 1.00 0.00 N ATOM 871 CA TYR A 62 20.179 11.884 -31.843 1.00 0.00 C ATOM 872 C TYR A 62 20.084 12.409 -33.273 1.00 0.00 C ATOM 873 O TYR A 62 21.061 12.916 -33.824 1.00 0.00 O ATOM 874 CB TYR A 62 20.194 13.056 -30.859 1.00 0.00 C ATOM 875 CG TYR A 62 19.135 14.096 -31.142 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.793 13.832 -30.901 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.478 15.343 -31.649 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.822 14.782 -31.160 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.514 16.298 -31.909 1.00 0.00 C ATOM 880 CZ TYR A 62 17.188 16.013 -31.664 1.00 0.00 C ATOM 881 OH TYR A 62 16.225 16.961 -31.921 1.00 0.00 O ATOM 0 H TYR A 62 22.182 11.379 -32.194 1.00 0.00 H new ATOM 0 HA TYR A 62 19.306 11.262 -31.644 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.054 12.673 -29.848 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.175 13.531 -30.887 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.503 12.870 -30.505 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.516 15.570 -31.843 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.782 14.561 -30.969 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.798 17.263 -32.302 1.00 0.00 H new ATOM 0 HH TYR A 62 15.475 16.842 -31.302 1.00 0.00 H new ATOM 891 N ASN A 63 18.901 12.284 -33.865 1.00 0.00 N ATOM 892 CA ASN A 63 18.679 12.746 -35.229 1.00 0.00 C ATOM 893 C ASN A 63 19.409 11.861 -36.236 1.00 0.00 C ATOM 894 O ASN A 63 19.412 12.142 -37.435 1.00 0.00 O ATOM 895 CB ASN A 63 19.139 14.197 -35.378 1.00 0.00 C ATOM 896 CG ASN A 63 18.035 15.103 -35.887 1.00 0.00 C ATOM 897 OD1 ASN A 63 17.516 14.910 -36.987 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.671 16.099 -35.087 1.00 0.00 N ATOM 0 H ASN A 63 18.082 11.867 -33.422 1.00 0.00 H new ATOM 0 HA ASN A 63 17.610 12.686 -35.434 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.492 14.564 -34.414 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.985 14.239 -36.064 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.934 16.742 -35.376 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.129 16.221 -34.184 1.00 0.00 H new ATOM 905 N GLY A 64 20.023 10.789 -35.743 1.00 0.00 N ATOM 906 CA GLY A 64 20.743 9.880 -36.618 1.00 0.00 C ATOM 907 C GLY A 64 22.247 10.025 -36.502 1.00 0.00 C ATOM 908 O GLY A 64 22.999 9.221 -37.052 1.00 0.00 O ATOM 0 H GLY A 64 20.035 10.534 -34.756 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.462 8.854 -36.380 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.443 10.062 -37.650 1.00 0.00 H new ATOM 912 N ARG A 65 22.686 11.052 -35.782 1.00 0.00 N ATOM 913 CA ARG A 65 24.111 11.299 -35.595 1.00 0.00 C ATOM 914 C ARG A 65 24.543 10.922 -34.183 1.00 0.00 C ATOM 915 O ARG A 65 23.798 10.270 -33.450 1.00 0.00 O ATOM 916 CB ARG A 65 24.436 12.768 -35.871 1.00 0.00 C ATOM 917 CG ARG A 65 23.826 13.726 -34.859 1.00 0.00 C ATOM 918 CD ARG A 65 22.988 14.804 -35.522 1.00 0.00 C ATOM 919 NE ARG A 65 23.470 15.118 -36.859 1.00 0.00 N ATOM 920 CZ ARG A 65 24.198 16.192 -37.165 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.564 17.053 -36.224 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.571 16.399 -38.420 1.00 0.00 N ATOM 0 H ARG A 65 22.076 11.726 -35.319 1.00 0.00 H new ATOM 0 HA ARG A 65 24.661 10.677 -36.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.518 12.898 -35.875 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.080 13.030 -36.867 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.206 13.166 -34.159 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.621 14.193 -34.278 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.950 14.475 -35.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.004 15.705 -34.909 1.00 0.00 H new ATOM 0 HE ARG A 65 23.235 14.473 -37.613 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.288 16.897 -35.254 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.121 17.871 -36.470 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.301 15.738 -39.148 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.128 17.220 -38.658 1.00 0.00 H new ATOM 936 N THR A 66 25.749 11.332 -33.804 1.00 0.00 N ATOM 937 CA THR A 66 26.271 11.029 -32.478 1.00 0.00 C ATOM 938 C THR A 66 27.062 12.202 -31.908 1.00 0.00 C ATOM 939 O THR A 66 27.689 12.961 -32.646 1.00 0.00 O ATOM 940 CB THR A 66 27.172 9.781 -32.501 1.00 0.00 C ATOM 941 OG1 THR A 66 26.421 8.644 -32.943 1.00 0.00 O ATOM 942 CG2 THR A 66 27.751 9.509 -31.121 1.00 0.00 C ATOM 0 H THR A 66 26.381 11.873 -34.395 1.00 0.00 H new ATOM 0 HA THR A 66 25.408 10.837 -31.840 1.00 0.00 H new ATOM 0 HB THR A 66 27.994 9.964 -33.193 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.001 7.854 -32.957 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.384 8.623 -31.160 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.344 10.365 -30.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.940 9.344 -30.412 1.00 0.00 H new ATOM 950 N PHE A 67 27.028 12.339 -30.587 1.00 0.00 N ATOM 951 CA PHE A 67 27.737 13.413 -29.905 1.00 0.00 C ATOM 952 C PHE A 67 28.396 12.893 -28.631 1.00 0.00 C ATOM 953 O PHE A 67 27.716 12.465 -27.701 1.00 0.00 O ATOM 954 CB PHE A 67 26.776 14.555 -29.569 1.00 0.00 C ATOM 955 CG PHE A 67 25.643 14.699 -30.547 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.729 13.673 -30.729 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.492 15.863 -31.283 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.686 13.804 -31.626 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.452 16.001 -32.182 1.00 0.00 C ATOM 960 CZ PHE A 67 23.548 14.970 -32.354 1.00 0.00 C ATOM 0 H PHE A 67 26.514 11.715 -29.965 1.00 0.00 H new ATOM 0 HA PHE A 67 28.513 13.790 -30.571 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.366 14.391 -28.573 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.335 15.490 -29.534 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.833 12.759 -30.162 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.195 16.672 -31.152 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.981 12.997 -31.758 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.346 16.914 -32.750 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.735 15.076 -33.057 1.00 0.00 H new ATOM 970 N TYR A 68 29.726 12.926 -28.599 1.00 0.00 N ATOM 971 CA TYR A 68 30.474 12.450 -27.445 1.00 0.00 C ATOM 972 C TYR A 68 30.422 13.455 -26.297 1.00 0.00 C ATOM 973 O TYR A 68 30.929 13.190 -25.207 1.00 0.00 O ATOM 974 CB TYR A 68 31.925 12.180 -27.841 1.00 0.00 C ATOM 975 CG TYR A 68 32.096 10.998 -28.771 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.375 10.904 -29.954 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.977 9.975 -28.460 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.530 9.822 -30.801 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.140 8.889 -29.297 1.00 0.00 C ATOM 980 CZ TYR A 68 32.415 8.817 -30.468 1.00 0.00 C ATOM 981 OH TYR A 68 32.573 7.738 -31.306 1.00 0.00 O ATOM 0 H TYR A 68 30.306 13.278 -29.361 1.00 0.00 H new ATOM 0 HA TYR A 68 30.014 11.524 -27.101 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.332 13.070 -28.321 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.512 12.008 -26.939 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.682 11.689 -30.217 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.548 10.028 -27.545 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.962 9.764 -31.718 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.831 8.101 -29.036 1.00 0.00 H new ATOM 0 HH TYR A 68 32.408 8.015 -32.231 1.00 0.00 H new ATOM 991 N SER A 69 29.808 14.609 -26.546 1.00 0.00 N ATOM 992 CA SER A 69 29.696 15.646 -25.526 1.00 0.00 C ATOM 993 C SER A 69 28.509 16.563 -25.799 1.00 0.00 C ATOM 994 O SER A 69 27.610 16.224 -26.568 1.00 0.00 O ATOM 995 CB SER A 69 30.984 16.470 -25.458 1.00 0.00 C ATOM 996 OG SER A 69 31.345 16.739 -24.114 1.00 0.00 O ATOM 0 H SER A 69 29.382 14.848 -27.442 1.00 0.00 H new ATOM 0 HA SER A 69 29.535 15.153 -24.567 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.791 15.931 -25.954 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.849 17.408 -25.997 1.00 0.00 H new ATOM 0 HG SER A 69 32.172 17.265 -24.096 1.00 0.00 H new ATOM 1002 N CYS A 70 28.514 17.727 -25.156 1.00 0.00 N ATOM 1003 CA CYS A 70 27.442 18.701 -25.316 1.00 0.00 C ATOM 1004 C CYS A 70 27.197 19.005 -26.790 1.00 0.00 C ATOM 1005 O CYS A 70 28.048 18.742 -27.638 1.00 0.00 O ATOM 1006 CB CYS A 70 27.781 19.990 -24.564 1.00 0.00 C ATOM 1007 SG CYS A 70 28.596 19.723 -22.955 1.00 0.00 S ATOM 0 H CYS A 70 29.253 18.019 -24.516 1.00 0.00 H new ATOM 0 HA CYS A 70 26.531 18.274 -24.898 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.429 20.603 -25.190 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.864 20.557 -24.405 1.00 0.00 H new ATOM 1012 N THR A 71 26.028 19.561 -27.087 1.00 0.00 N ATOM 1013 CA THR A 71 25.672 19.900 -28.459 1.00 0.00 C ATOM 1014 C THR A 71 24.364 20.677 -28.516 1.00 0.00 C ATOM 1015 O THR A 71 23.515 20.554 -27.633 1.00 0.00 O ATOM 1016 CB THR A 71 25.537 18.639 -29.335 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.554 19.003 -30.722 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.247 17.896 -29.018 1.00 0.00 C ATOM 0 H THR A 71 25.312 19.786 -26.397 1.00 0.00 H new ATOM 0 HA THR A 71 26.480 20.522 -28.845 1.00 0.00 H new ATOM 0 HB THR A 71 26.379 17.982 -29.120 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.294 18.231 -31.266 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.173 17.010 -29.648 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.248 17.597 -27.970 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.395 18.549 -29.209 1.00 0.00 H new ATOM 1026 N THR A 72 24.207 21.472 -29.567 1.00 0.00 N ATOM 1027 CA THR A 72 23.000 22.265 -29.753 1.00 0.00 C ATOM 1028 C THR A 72 22.284 21.862 -31.037 1.00 0.00 C ATOM 1029 O THR A 72 22.307 22.591 -32.029 1.00 0.00 O ATOM 1030 CB THR A 72 23.318 23.772 -29.805 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.674 23.974 -30.223 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.105 24.418 -28.444 1.00 0.00 C ATOM 0 H THR A 72 24.902 21.584 -30.305 1.00 0.00 H new ATOM 0 HA THR A 72 22.353 22.072 -28.897 1.00 0.00 H new ATOM 0 HB THR A 72 22.642 24.237 -30.523 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.867 24.934 -30.255 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.336 25.481 -28.506 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.067 24.289 -28.139 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.760 23.947 -27.711 1.00 0.00 H new ATOM 1040 N GLU A 73 21.659 20.688 -31.015 1.00 0.00 N ATOM 1041 CA GLU A 73 20.947 20.175 -32.181 1.00 0.00 C ATOM 1042 C GLU A 73 19.437 20.340 -32.040 1.00 0.00 C ATOM 1043 O GLU A 73 18.782 20.923 -32.905 1.00 0.00 O ATOM 1044 CB GLU A 73 21.287 18.700 -32.401 1.00 0.00 C ATOM 1045 CG GLU A 73 22.365 18.473 -33.448 1.00 0.00 C ATOM 1046 CD GLU A 73 22.014 19.088 -34.789 1.00 0.00 C ATOM 1047 OE1 GLU A 73 20.817 19.358 -35.025 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.936 19.300 -35.604 1.00 0.00 O ATOM 0 H GLU A 73 21.631 20.074 -30.201 1.00 0.00 H new ATOM 0 HA GLU A 73 21.270 20.757 -33.044 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.613 18.266 -31.456 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.384 18.168 -32.701 1.00 0.00 H new ATOM 0 HG2 GLU A 73 23.305 18.895 -33.094 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.524 17.402 -33.574 1.00 0.00 H new ATOM 1055 N GLY A 74 18.887 19.810 -30.956 1.00 0.00 N ATOM 1056 CA GLY A 74 17.455 19.898 -30.735 1.00 0.00 C ATOM 1057 C GLY A 74 17.090 20.710 -29.509 1.00 0.00 C ATOM 1058 O GLY A 74 16.622 20.165 -28.510 1.00 0.00 O ATOM 0 H GLY A 74 19.405 19.321 -30.226 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.985 20.344 -31.612 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.047 18.892 -30.632 1.00 0.00 H new ATOM 1122 N HIS A 79 21.570 26.622 -26.206 1.00 0.00 N ATOM 1123 CA HIS A 79 22.482 26.270 -25.125 1.00 0.00 C ATOM 1124 C HIS A 79 22.959 24.828 -25.264 1.00 0.00 C ATOM 1125 O HIS A 79 22.152 23.899 -25.285 1.00 0.00 O ATOM 1126 CB HIS A 79 21.794 26.457 -23.770 1.00 0.00 C ATOM 1127 CG HIS A 79 20.909 27.664 -23.706 1.00 0.00 C ATOM 1128 ND1 HIS A 79 21.073 28.764 -24.522 1.00 0.00 N ATOM 1129 CD2 HIS A 79 19.844 27.940 -22.915 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.148 29.663 -24.235 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.391 29.188 -23.264 1.00 0.00 N ATOM 0 HA HIS A 79 23.347 26.930 -25.184 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.201 25.570 -23.548 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.555 26.534 -22.993 1.00 0.00 H new ATOM 0 HD1 HIS A 79 21.795 28.867 -25.235 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.429 27.298 -22.152 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.031 30.624 -24.714 1.00 0.00 H new ATOM 1140 N LEU A 80 24.273 24.644 -25.356 1.00 0.00 N ATOM 1141 CA LEU A 80 24.845 23.314 -25.486 1.00 0.00 C ATOM 1142 C LEU A 80 24.103 22.330 -24.590 1.00 0.00 C ATOM 1143 O LEU A 80 23.829 22.624 -23.426 1.00 0.00 O ATOM 1144 CB LEU A 80 26.328 23.341 -25.121 1.00 0.00 C ATOM 1145 CG LEU A 80 27.254 23.901 -26.202 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.671 25.171 -26.802 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.639 24.166 -25.629 1.00 0.00 C ATOM 0 H LEU A 80 24.958 25.400 -25.343 1.00 0.00 H new ATOM 0 HA LEU A 80 24.743 22.990 -26.522 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.452 23.935 -24.215 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.646 22.326 -24.883 1.00 0.00 H new ATOM 0 HG LEU A 80 27.345 23.160 -26.996 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.345 25.554 -27.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.701 24.951 -27.248 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.549 25.920 -26.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.286 24.564 -26.411 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.564 24.889 -24.817 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.060 23.235 -25.249 1.00 0.00 H new ATOM 1159 N TRP A 81 23.766 21.167 -25.136 1.00 0.00 N ATOM 1160 CA TRP A 81 23.042 20.158 -24.374 1.00 0.00 C ATOM 1161 C TRP A 81 23.459 18.746 -24.771 1.00 0.00 C ATOM 1162 O TRP A 81 23.879 18.502 -25.902 1.00 0.00 O ATOM 1163 CB TRP A 81 21.536 20.328 -24.584 1.00 0.00 C ATOM 1164 CG TRP A 81 21.085 19.931 -25.955 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.894 20.754 -27.029 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.767 18.608 -26.402 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.476 20.023 -28.114 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.391 18.703 -27.754 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.766 17.352 -25.789 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.017 17.590 -28.503 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.394 16.248 -26.533 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.025 16.374 -27.878 1.00 0.00 C ATOM 0 H TRP A 81 23.981 20.901 -26.097 1.00 0.00 H new ATOM 0 HA TRP A 81 23.287 20.298 -23.321 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.003 19.730 -23.845 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.266 21.369 -24.407 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.049 21.823 -27.025 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.263 20.401 -29.037 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.051 17.246 -24.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.731 17.684 -29.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.388 15.273 -26.070 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.741 15.492 -28.433 1.00 0.00 H new ATOM 1183 N CYS A 82 23.318 17.817 -23.830 1.00 0.00 N ATOM 1184 CA CYS A 82 23.655 16.420 -24.070 1.00 0.00 C ATOM 1185 C CYS A 82 22.602 15.512 -23.448 1.00 0.00 C ATOM 1186 O CYS A 82 21.794 15.957 -22.632 1.00 0.00 O ATOM 1187 CB CYS A 82 25.036 16.085 -23.497 1.00 0.00 C ATOM 1188 SG CYS A 82 25.489 17.040 -22.013 1.00 0.00 S ATOM 0 H CYS A 82 22.971 18.009 -22.890 1.00 0.00 H new ATOM 0 HA CYS A 82 23.679 16.256 -25.147 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.067 15.023 -23.254 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.787 16.257 -24.268 1.00 0.00 H new ATOM 1193 N SER A 83 22.612 14.244 -23.832 1.00 0.00 N ATOM 1194 CA SER A 83 21.651 13.286 -23.300 1.00 0.00 C ATOM 1195 C SER A 83 22.056 12.852 -21.896 1.00 0.00 C ATOM 1196 O SER A 83 23.233 12.886 -21.546 1.00 0.00 O ATOM 1197 CB SER A 83 21.544 12.069 -24.220 1.00 0.00 C ATOM 1198 OG SER A 83 20.569 11.156 -23.746 1.00 0.00 O ATOM 0 H SER A 83 23.271 13.855 -24.506 1.00 0.00 H new ATOM 0 HA SER A 83 20.675 13.769 -23.248 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.284 12.393 -25.228 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.512 11.572 -24.284 1.00 0.00 H new ATOM 0 HG SER A 83 20.978 10.273 -23.627 1.00 0.00 H new ATOM 1204 N THR A 84 21.075 12.450 -21.095 1.00 0.00 N ATOM 1205 CA THR A 84 21.340 12.010 -19.730 1.00 0.00 C ATOM 1206 C THR A 84 21.285 10.490 -19.630 1.00 0.00 C ATOM 1207 O THR A 84 22.044 9.881 -18.877 1.00 0.00 O ATOM 1208 CB THR A 84 20.339 12.625 -18.733 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.051 12.747 -19.345 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.817 13.993 -18.266 1.00 0.00 C ATOM 0 H THR A 84 20.092 12.420 -21.366 1.00 0.00 H new ATOM 0 HA THR A 84 22.342 12.352 -19.472 1.00 0.00 H new ATOM 0 HB THR A 84 20.267 11.966 -17.868 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.103 13.376 -20.095 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.096 14.410 -17.563 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.785 13.892 -17.776 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.912 14.658 -19.125 1.00 0.00 H new ATOM 1218 N THR A 85 20.389 9.883 -20.403 1.00 0.00 N ATOM 1219 CA THR A 85 20.244 8.433 -20.410 1.00 0.00 C ATOM 1220 C THR A 85 20.514 7.867 -21.803 1.00 0.00 C ATOM 1221 O THR A 85 20.550 8.606 -22.787 1.00 0.00 O ATOM 1222 CB THR A 85 18.838 8.002 -19.944 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.885 6.672 -19.410 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.841 8.058 -21.093 1.00 0.00 C ATOM 0 H THR A 85 19.753 10.374 -21.032 1.00 0.00 H new ATOM 0 HA THR A 85 20.978 8.034 -19.710 1.00 0.00 H new ATOM 0 HB THR A 85 18.510 8.694 -19.169 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.989 6.406 -19.115 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.858 7.749 -20.737 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.785 9.077 -21.476 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.165 7.388 -21.889 1.00 0.00 H new ATOM 1232 N SER A 86 20.701 6.556 -21.879 1.00 0.00 N ATOM 1233 CA SER A 86 20.969 5.896 -23.153 1.00 0.00 C ATOM 1234 C SER A 86 19.791 6.055 -24.107 1.00 0.00 C ATOM 1235 O SER A 86 19.963 6.456 -25.259 1.00 0.00 O ATOM 1236 CB SER A 86 21.261 4.412 -22.930 1.00 0.00 C ATOM 1237 OG SER A 86 21.080 4.054 -21.571 1.00 0.00 O ATOM 0 H SER A 86 20.672 5.928 -21.076 1.00 0.00 H new ATOM 0 HA SER A 86 21.843 6.369 -23.601 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.604 3.811 -23.558 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.284 4.190 -23.234 1.00 0.00 H new ATOM 0 HG SER A 86 21.834 4.388 -21.041 1.00 0.00 H new ATOM 1243 N ASN A 87 18.595 5.736 -23.623 1.00 0.00 N ATOM 1244 CA ASN A 87 17.391 5.842 -24.437 1.00 0.00 C ATOM 1245 C ASN A 87 16.730 7.206 -24.271 1.00 0.00 C ATOM 1246 O ASN A 87 15.626 7.308 -23.738 1.00 0.00 O ATOM 1247 CB ASN A 87 16.396 4.739 -24.067 1.00 0.00 C ATOM 1248 CG ASN A 87 15.819 4.049 -25.288 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.906 2.828 -25.424 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.227 4.829 -26.185 1.00 0.00 N ATOM 0 H ASN A 87 18.434 5.403 -22.673 1.00 0.00 H new ATOM 0 HA ASN A 87 17.686 5.726 -25.480 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.893 4.001 -23.437 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.585 5.167 -23.478 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.822 4.421 -27.027 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.178 5.836 -26.032 1.00 0.00 H new ATOM 1257 N TYR A 88 17.403 8.251 -24.739 1.00 0.00 N ATOM 1258 CA TYR A 88 16.862 9.600 -24.648 1.00 0.00 C ATOM 1259 C TYR A 88 15.707 9.767 -25.628 1.00 0.00 C ATOM 1260 O TYR A 88 14.883 10.671 -25.489 1.00 0.00 O ATOM 1261 CB TYR A 88 17.955 10.634 -24.932 1.00 0.00 C ATOM 1262 CG TYR A 88 17.434 11.943 -25.485 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.006 12.039 -26.803 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.372 13.081 -24.691 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.530 13.231 -27.314 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.899 14.278 -25.195 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.480 14.348 -26.506 1.00 0.00 C ATOM 1268 OH TYR A 88 16.009 15.538 -27.010 1.00 0.00 O ATOM 0 H TYR A 88 18.319 8.190 -25.183 1.00 0.00 H new ATOM 0 HA TYR A 88 16.490 9.761 -23.636 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.502 10.833 -24.010 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.667 10.210 -25.640 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.046 11.167 -27.439 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.699 13.030 -23.663 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.199 13.288 -28.340 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.858 15.154 -24.565 1.00 0.00 H new ATOM 0 HH TYR A 88 16.039 16.224 -26.311 1.00 0.00 H new ATOM 1278 N GLU A 89 15.654 8.882 -26.619 1.00 0.00 N ATOM 1279 CA GLU A 89 14.601 8.922 -27.625 1.00 0.00 C ATOM 1280 C GLU A 89 13.243 8.646 -26.990 1.00 0.00 C ATOM 1281 O GLU A 89 12.230 9.217 -27.392 1.00 0.00 O ATOM 1282 CB GLU A 89 14.881 7.902 -28.729 1.00 0.00 C ATOM 1283 CG GLU A 89 16.144 8.195 -29.524 1.00 0.00 C ATOM 1284 CD GLU A 89 16.581 7.020 -30.377 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.020 5.918 -30.202 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.485 7.202 -31.220 1.00 0.00 O ATOM 0 H GLU A 89 16.329 8.128 -26.746 1.00 0.00 H new ATOM 0 HA GLU A 89 14.584 9.920 -28.064 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.964 6.911 -28.283 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.031 7.875 -29.411 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.973 9.061 -30.164 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.948 8.460 -28.837 1.00 0.00 H new ATOM 1293 N GLN A 90 13.234 7.769 -25.991 1.00 0.00 N ATOM 1294 CA GLN A 90 12.001 7.421 -25.294 1.00 0.00 C ATOM 1295 C GLN A 90 11.863 8.230 -24.010 1.00 0.00 C ATOM 1296 O GLN A 90 10.782 8.724 -23.689 1.00 0.00 O ATOM 1297 CB GLN A 90 11.965 5.924 -24.983 1.00 0.00 C ATOM 1298 CG GLN A 90 13.128 5.457 -24.130 1.00 0.00 C ATOM 1299 CD GLN A 90 12.747 5.267 -22.676 1.00 0.00 C ATOM 1300 OE1 GLN A 90 13.325 5.889 -21.784 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.769 4.404 -22.428 1.00 0.00 N ATOM 0 H GLN A 90 14.065 7.287 -25.647 1.00 0.00 H new ATOM 0 HA GLN A 90 11.161 7.661 -25.946 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.032 5.689 -24.471 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.964 5.366 -25.919 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.510 4.517 -24.527 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.938 6.184 -24.197 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.317 3.910 -23.198 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.469 4.235 -21.468 1.00 0.00 H new ATOM 1310 N ASP A 91 12.965 8.366 -23.283 1.00 0.00 N ATOM 1311 CA ASP A 91 12.969 9.123 -22.039 1.00 0.00 C ATOM 1312 C ASP A 91 12.731 10.605 -22.315 1.00 0.00 C ATOM 1313 O ASP A 91 11.767 11.193 -21.826 1.00 0.00 O ATOM 1314 CB ASP A 91 14.299 8.931 -21.307 1.00 0.00 C ATOM 1315 CG ASP A 91 14.110 8.662 -19.827 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.695 9.589 -19.102 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.374 7.520 -19.394 1.00 0.00 O ATOM 0 H ASP A 91 13.867 7.962 -23.534 1.00 0.00 H new ATOM 0 HA ASP A 91 12.162 8.753 -21.407 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.842 8.101 -21.758 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.914 9.822 -21.436 1.00 0.00 H new ATOM 1322 N GLN A 92 13.614 11.197 -23.114 1.00 0.00 N ATOM 1323 CA GLN A 92 13.504 12.607 -23.473 1.00 0.00 C ATOM 1324 C GLN A 92 14.060 13.503 -22.372 1.00 0.00 C ATOM 1325 O GLN A 92 13.507 14.565 -22.084 1.00 0.00 O ATOM 1326 CB GLN A 92 12.045 12.970 -23.757 1.00 0.00 C ATOM 1327 CG GLN A 92 11.878 13.957 -24.901 1.00 0.00 C ATOM 1328 CD GLN A 92 11.148 13.356 -26.086 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.112 13.864 -26.515 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.685 12.265 -26.622 1.00 0.00 N ATOM 0 H GLN A 92 14.416 10.720 -23.526 1.00 0.00 H new ATOM 0 HA GLN A 92 14.095 12.770 -24.374 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.491 12.060 -23.988 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.602 13.393 -22.855 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.330 14.830 -24.546 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.860 14.305 -25.222 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.545 11.877 -26.235 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.237 11.816 -27.421 1.00 0.00 H new ATOM 1339 N LYS A 93 15.160 13.074 -21.768 1.00 0.00 N ATOM 1340 CA LYS A 93 15.797 13.843 -20.706 1.00 0.00 C ATOM 1341 C LYS A 93 17.218 14.223 -21.107 1.00 0.00 C ATOM 1342 O LYS A 93 18.042 13.358 -21.405 1.00 0.00 O ATOM 1343 CB LYS A 93 15.812 13.059 -19.387 1.00 0.00 C ATOM 1344 CG LYS A 93 15.475 11.581 -19.522 1.00 0.00 C ATOM 1345 CD LYS A 93 16.727 10.723 -19.490 1.00 0.00 C ATOM 1346 CE LYS A 93 16.974 10.158 -18.101 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.261 10.638 -17.525 1.00 0.00 N ATOM 0 H LYS A 93 15.630 12.198 -21.995 1.00 0.00 H new ATOM 0 HA LYS A 93 15.215 14.752 -20.554 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.800 13.153 -18.936 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.102 13.518 -18.699 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.807 11.283 -18.714 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.940 11.412 -20.456 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.629 9.906 -20.205 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.586 11.318 -19.801 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.153 10.443 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.982 9.069 -18.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.313 10.371 -16.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.054 10.206 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.315 11.673 -17.611 1.00 0.00 H new ATOM 1361 N TYR A 94 17.494 15.522 -21.122 1.00 0.00 N ATOM 1362 CA TYR A 94 18.811 16.020 -21.499 1.00 0.00 C ATOM 1363 C TYR A 94 19.256 17.159 -20.587 1.00 0.00 C ATOM 1364 O TYR A 94 18.468 17.686 -19.801 1.00 0.00 O ATOM 1365 CB TYR A 94 18.798 16.495 -22.954 1.00 0.00 C ATOM 1366 CG TYR A 94 18.069 17.805 -23.161 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.616 19.006 -22.723 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.835 17.843 -23.799 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.954 20.205 -22.913 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.168 19.038 -23.993 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.731 20.215 -23.550 1.00 0.00 C ATOM 1372 OH TYR A 94 16.069 21.405 -23.742 1.00 0.00 O ATOM 0 H TYR A 94 16.823 16.250 -20.877 1.00 0.00 H new ATOM 0 HA TYR A 94 19.522 15.201 -21.391 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.826 16.603 -23.301 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.332 15.728 -23.573 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.575 19.002 -22.226 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.390 16.923 -24.149 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.392 21.128 -22.564 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.209 19.049 -24.490 1.00 0.00 H new ATOM 0 HH TYR A 94 15.223 21.237 -24.207 1.00 0.00 H new ATOM 1382 N SER A 95 20.526 17.536 -20.706 1.00 0.00 N ATOM 1383 CA SER A 95 21.088 18.616 -19.901 1.00 0.00 C ATOM 1384 C SER A 95 21.735 19.669 -20.794 1.00 0.00 C ATOM 1385 O SER A 95 21.899 19.457 -21.995 1.00 0.00 O ATOM 1386 CB SER A 95 22.118 18.062 -18.917 1.00 0.00 C ATOM 1387 OG SER A 95 22.194 16.649 -18.996 1.00 0.00 O ATOM 0 H SER A 95 21.187 17.108 -21.354 1.00 0.00 H new ATOM 0 HA SER A 95 20.278 19.084 -19.341 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.096 18.494 -19.129 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.852 18.358 -17.902 1.00 0.00 H new ATOM 0 HG SER A 95 22.821 16.394 -19.704 1.00 0.00 H new ATOM 1393 N PHE A 96 22.101 20.802 -20.204 1.00 0.00 N ATOM 1394 CA PHE A 96 22.728 21.884 -20.955 1.00 0.00 C ATOM 1395 C PHE A 96 24.237 21.903 -20.734 1.00 0.00 C ATOM 1396 O PHE A 96 24.795 20.996 -20.117 1.00 0.00 O ATOM 1397 CB PHE A 96 22.124 23.231 -20.554 1.00 0.00 C ATOM 1398 CG PHE A 96 20.907 23.598 -21.352 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.860 23.357 -22.717 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.807 24.178 -20.740 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.741 23.690 -23.454 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.684 24.511 -21.473 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.652 24.265 -22.832 1.00 0.00 C ATOM 0 H PHE A 96 21.975 20.995 -19.210 1.00 0.00 H new ATOM 0 HA PHE A 96 22.539 21.710 -22.014 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.861 23.203 -19.496 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.877 24.009 -20.675 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.708 22.904 -23.209 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.828 24.372 -19.678 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.718 23.500 -24.517 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.833 24.963 -20.985 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.775 24.523 -23.407 1.00 0.00 H new ATOM 1413 N CYS A 97 24.892 22.941 -21.244 1.00 0.00 N ATOM 1414 CA CYS A 97 26.337 23.077 -21.105 1.00 0.00 C ATOM 1415 C CYS A 97 26.765 24.529 -21.280 1.00 0.00 C ATOM 1416 O CYS A 97 27.256 24.917 -22.341 1.00 0.00 O ATOM 1417 CB CYS A 97 27.054 22.198 -22.129 1.00 0.00 C ATOM 1418 SG CYS A 97 27.276 20.469 -21.606 1.00 0.00 S ATOM 0 H CYS A 97 24.445 23.700 -21.757 1.00 0.00 H new ATOM 0 HA CYS A 97 26.612 22.753 -20.101 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.491 22.214 -23.062 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.032 22.630 -22.340 1.00 0.00 H new ATOM 1423 N THR A 98 26.576 25.330 -20.236 1.00 0.00 N ATOM 1424 CA THR A 98 26.944 26.740 -20.280 1.00 0.00 C ATOM 1425 C THR A 98 28.366 26.919 -20.794 1.00 0.00 C ATOM 1426 O THR A 98 28.665 27.881 -21.503 1.00 0.00 O ATOM 1427 CB THR A 98 26.826 27.399 -18.894 1.00 0.00 C ATOM 1428 OG1 THR A 98 27.596 28.607 -18.861 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.308 26.454 -17.804 1.00 0.00 C ATOM 0 H THR A 98 26.171 25.027 -19.350 1.00 0.00 H new ATOM 0 HA THR A 98 26.247 27.226 -20.963 1.00 0.00 H new ATOM 0 HB THR A 98 25.777 27.632 -18.713 1.00 0.00 H new ATOM 0 HG1 THR A 98 27.515 29.022 -17.977 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.215 26.941 -16.833 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.703 25.548 -17.815 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.352 26.195 -17.982 1.00 0.00 H new