USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot -120:sc= -1.9 USER MOD Set 1.2: A 84 THR OG1 : rot 136:sc= -3.57! USER MOD Set 2.1: A 3 HIS : no HD1:sc= -2.75! C(o=-8.4!,f=-11!) USER MOD Set 2.2: A 13 SER OG : rot -116:sc= -2.46! USER MOD Set 2.3: A 16 MET CE :methyl 144:sc= -3.24! (180deg=-4.58!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -56:sc= 0.72 USER MOD Single : A 12 TYR OH : rot -65:sc= 1.7 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= -2.22! USER MOD Single : A 34 ASN : amide:sc= -4.28! C(o=-4.3!,f=-14!) 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= -0.0183 X(o=-0.018,f=-0.1) USER MOD Single : A 46 THR OG1 : rot -145:sc= 1.19 USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.000907 X(o=-0.00091,f=-0.14) USER MOD Single : A 52 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 164:sc= 0.712 USER MOD Single : A 63 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 69 SER OG : rot 180:sc= 0.02 USER MOD Single : A 71 THR OG1 : rot -177:sc= 0.702 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-0.24) USER MOD Single : A 83 SER OG : rot -169:sc= -1.5 USER MOD Single : A 85 THR OG1 : rot 42:sc= -1.11! USER MOD Single : A 86 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 87 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.6) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 92 GLN : amide:sc= 0.0796 X(o=0.08,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.638! (180deg=-1.61!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -153:sc= -2.78! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 49.852 11.317 -39.956 1.00 0.00 N ATOM 32 CA HIS A 3 48.930 10.475 -39.202 1.00 0.00 C ATOM 33 C HIS A 3 49.181 10.595 -37.702 1.00 0.00 C ATOM 34 O HIS A 3 50.236 11.063 -37.275 1.00 0.00 O ATOM 35 CB HIS A 3 49.073 9.015 -39.637 1.00 0.00 C ATOM 36 CG HIS A 3 48.119 8.614 -40.718 1.00 0.00 C ATOM 37 ND1 HIS A 3 48.053 9.253 -41.939 1.00 0.00 N ATOM 38 CD2 HIS A 3 47.191 7.629 -40.762 1.00 0.00 C ATOM 39 CE1 HIS A 3 47.126 8.678 -42.685 1.00 0.00 C ATOM 40 NE2 HIS A 3 46.589 7.690 -41.994 1.00 0.00 N ATOM 0 HA HIS A 3 47.915 10.815 -39.409 1.00 0.00 H new ATOM 0 HB2 HIS A 3 50.093 8.846 -39.983 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.920 8.370 -38.772 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.966 6.926 -39.974 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.854 8.967 -43.689 1.00 0.00 H new ATOM 0 HE2 HIS A 3 45.847 7.072 -42.322 1.00 0.00 H new ATOM 49 N CYS A 4 48.205 10.167 -36.907 1.00 0.00 N ATOM 50 CA CYS A 4 48.322 10.224 -35.454 1.00 0.00 C ATOM 51 C CYS A 4 48.366 8.818 -34.864 1.00 0.00 C ATOM 52 O CYS A 4 47.934 7.856 -35.498 1.00 0.00 O ATOM 53 CB CYS A 4 47.150 11.009 -34.859 1.00 0.00 C ATOM 54 SG CYS A 4 45.659 11.016 -35.909 1.00 0.00 S ATOM 0 H CYS A 4 47.325 9.777 -37.244 1.00 0.00 H new ATOM 0 HA CYS A 4 49.252 10.734 -35.203 1.00 0.00 H new ATOM 0 HB2 CYS A 4 46.897 10.585 -33.888 1.00 0.00 H new ATOM 0 HB3 CYS A 4 47.465 12.038 -34.685 1.00 0.00 H new ATOM 59 N VAL A 5 48.894 8.702 -33.650 1.00 0.00 N ATOM 60 CA VAL A 5 48.997 7.409 -32.984 1.00 0.00 C ATOM 61 C VAL A 5 49.017 7.570 -31.466 1.00 0.00 C ATOM 62 O VAL A 5 49.289 8.654 -30.951 1.00 0.00 O ATOM 63 CB VAL A 5 50.265 6.654 -33.426 1.00 0.00 C ATOM 64 CG1 VAL A 5 50.405 6.683 -34.940 1.00 0.00 C ATOM 65 CG2 VAL A 5 51.498 7.247 -32.759 1.00 0.00 C ATOM 0 H VAL A 5 49.257 9.486 -33.108 1.00 0.00 H new ATOM 0 HA VAL A 5 48.118 6.832 -33.272 1.00 0.00 H new ATOM 0 HB VAL A 5 50.174 5.614 -33.113 1.00 0.00 H new ATOM 0 HG11 VAL A 5 51.306 6.145 -35.232 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.535 6.209 -35.395 1.00 0.00 H new ATOM 0 HG13 VAL A 5 50.474 7.717 -35.279 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.385 6.702 -33.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.595 8.296 -33.040 1.00 0.00 H new ATOM 0 HG23 VAL A 5 51.399 7.169 -31.676 1.00 0.00 H new ATOM 75 N THR A 6 48.726 6.484 -30.757 1.00 0.00 N ATOM 76 CA THR A 6 48.711 6.503 -29.300 1.00 0.00 C ATOM 77 C THR A 6 49.110 5.146 -28.729 1.00 0.00 C ATOM 78 O THR A 6 48.382 4.164 -28.869 1.00 0.00 O ATOM 79 CB THR A 6 47.322 6.883 -28.756 1.00 0.00 C ATOM 80 OG1 THR A 6 47.320 6.821 -27.325 1.00 0.00 O ATOM 81 CG2 THR A 6 46.254 5.952 -29.308 1.00 0.00 C ATOM 0 H THR A 6 48.497 5.579 -31.169 1.00 0.00 H new ATOM 0 HA THR A 6 49.435 7.256 -28.988 1.00 0.00 H new ATOM 0 HB THR A 6 47.098 7.901 -29.075 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.433 7.066 -26.988 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.280 6.239 -28.910 1.00 0.00 H new ATOM 0 HG22 THR A 6 46.237 6.022 -30.396 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.478 4.927 -29.014 1.00 0.00 H new ATOM 89 N ASP A 7 50.273 5.101 -28.088 1.00 0.00 N ATOM 90 CA ASP A 7 50.772 3.864 -27.497 1.00 0.00 C ATOM 91 C ASP A 7 51.110 2.839 -28.575 1.00 0.00 C ATOM 92 O ASP A 7 51.398 1.681 -28.276 1.00 0.00 O ATOM 93 CB ASP A 7 49.739 3.281 -26.532 1.00 0.00 C ATOM 94 CG ASP A 7 49.653 4.061 -25.235 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.717 4.396 -24.673 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.524 4.337 -24.782 1.00 0.00 O ATOM 0 H ASP A 7 50.887 5.906 -27.964 1.00 0.00 H new ATOM 0 HA ASP A 7 51.683 4.099 -26.947 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.761 3.273 -27.013 1.00 0.00 H new ATOM 0 HB3 ASP A 7 49.995 2.244 -26.313 1.00 0.00 H new ATOM 101 N SER A 8 51.071 3.274 -29.830 1.00 0.00 N ATOM 102 CA SER A 8 51.371 2.394 -30.952 1.00 0.00 C ATOM 103 C SER A 8 50.331 1.284 -31.063 1.00 0.00 C ATOM 104 O SER A 8 50.666 0.130 -31.332 1.00 0.00 O ATOM 105 CB SER A 8 52.767 1.789 -30.794 1.00 0.00 C ATOM 106 OG SER A 8 52.709 0.541 -30.125 1.00 0.00 O ATOM 0 H SER A 8 50.835 4.230 -30.095 1.00 0.00 H new ATOM 0 HA SER A 8 51.343 2.987 -31.866 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.223 1.658 -31.775 1.00 0.00 H new ATOM 0 HB3 SER A 8 53.403 2.475 -30.235 1.00 0.00 H new ATOM 0 HG SER A 8 52.260 0.653 -29.261 1.00 0.00 H new ATOM 112 N GLY A 9 49.068 1.640 -30.851 1.00 0.00 N ATOM 113 CA GLY A 9 48.000 0.661 -30.929 1.00 0.00 C ATOM 114 C GLY A 9 46.877 1.091 -31.852 1.00 0.00 C ATOM 115 O GLY A 9 45.978 0.305 -32.152 1.00 0.00 O ATOM 0 H GLY A 9 48.766 2.588 -30.627 1.00 0.00 H new ATOM 0 HA2 GLY A 9 48.408 -0.288 -31.277 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.598 0.488 -29.931 1.00 0.00 H new ATOM 119 N VAL A 10 46.924 2.340 -32.305 1.00 0.00 N ATOM 120 CA VAL A 10 45.898 2.866 -33.198 1.00 0.00 C ATOM 121 C VAL A 10 46.461 3.952 -34.108 1.00 0.00 C ATOM 122 O VAL A 10 46.603 5.105 -33.701 1.00 0.00 O ATOM 123 CB VAL A 10 44.702 3.438 -32.413 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.397 3.139 -33.136 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.673 2.882 -30.997 1.00 0.00 C ATOM 0 H VAL A 10 47.660 3.005 -32.069 1.00 0.00 H new ATOM 0 HA VAL A 10 45.555 2.029 -33.806 1.00 0.00 H new ATOM 0 HB VAL A 10 44.818 4.520 -32.350 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.563 3.550 -32.567 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.418 3.592 -34.127 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.273 2.060 -33.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 43.821 3.299 -30.460 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.583 1.796 -31.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.594 3.152 -30.481 1.00 0.00 H new ATOM 135 N VAL A 11 46.779 3.575 -35.342 1.00 0.00 N ATOM 136 CA VAL A 11 47.326 4.515 -36.313 1.00 0.00 C ATOM 137 C VAL A 11 46.261 5.491 -36.797 1.00 0.00 C ATOM 138 O VAL A 11 45.712 5.337 -37.888 1.00 0.00 O ATOM 139 CB VAL A 11 47.919 3.781 -37.531 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.422 4.780 -38.562 1.00 0.00 C ATOM 141 CG2 VAL A 11 49.034 2.842 -37.098 1.00 0.00 C ATOM 0 H VAL A 11 46.667 2.624 -35.693 1.00 0.00 H new ATOM 0 HA VAL A 11 48.117 5.067 -35.805 1.00 0.00 H new ATOM 0 HB VAL A 11 47.132 3.184 -37.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.837 4.244 -39.415 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.595 5.407 -38.895 1.00 0.00 H new ATOM 0 HG13 VAL A 11 49.195 5.406 -38.115 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.440 2.333 -37.972 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.824 3.415 -36.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.638 2.105 -36.400 1.00 0.00 H new ATOM 151 N TYR A 12 45.977 6.499 -35.981 1.00 0.00 N ATOM 152 CA TYR A 12 44.982 7.506 -36.326 1.00 0.00 C ATOM 153 C TYR A 12 45.487 8.393 -37.461 1.00 0.00 C ATOM 154 O TYR A 12 46.629 8.258 -37.904 1.00 0.00 O ATOM 155 CB TYR A 12 44.646 8.361 -35.103 1.00 0.00 C ATOM 156 CG TYR A 12 43.939 7.604 -34.005 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.637 7.151 -34.176 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.573 7.341 -32.799 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.986 6.458 -33.173 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.931 6.647 -31.791 1.00 0.00 C ATOM 161 CZ TYR A 12 42.638 6.208 -31.984 1.00 0.00 C ATOM 162 OH TYR A 12 41.994 5.517 -30.983 1.00 0.00 O ATOM 0 H TYR A 12 46.423 6.640 -35.074 1.00 0.00 H new ATOM 0 HA TYR A 12 44.079 6.995 -36.659 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.567 8.785 -34.704 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.020 9.197 -35.416 1.00 0.00 H new ATOM 0 HD1 TYR A 12 42.125 7.343 -35.107 1.00 0.00 H new ATOM 0 HD2 TYR A 12 45.585 7.684 -32.646 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.973 6.114 -33.320 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.439 6.450 -30.858 1.00 0.00 H new ATOM 0 HH TYR A 12 41.229 6.040 -30.665 1.00 0.00 H new ATOM 172 N SER A 13 44.635 9.300 -37.927 1.00 0.00 N ATOM 173 CA SER A 13 45.002 10.207 -39.010 1.00 0.00 C ATOM 174 C SER A 13 44.692 11.651 -38.638 1.00 0.00 C ATOM 175 O SER A 13 43.649 11.937 -38.053 1.00 0.00 O ATOM 176 CB SER A 13 44.262 9.828 -40.293 1.00 0.00 C ATOM 177 OG SER A 13 44.680 8.559 -40.767 1.00 0.00 O ATOM 0 H SER A 13 43.687 9.427 -37.573 1.00 0.00 H new ATOM 0 HA SER A 13 46.075 10.117 -39.178 1.00 0.00 H new ATOM 0 HB2 SER A 13 43.188 9.814 -40.107 1.00 0.00 H new ATOM 0 HB3 SER A 13 44.443 10.583 -41.058 1.00 0.00 H new ATOM 0 HG SER A 13 45.119 8.663 -41.637 1.00 0.00 H new ATOM 183 N VAL A 14 45.613 12.551 -38.977 1.00 0.00 N ATOM 184 CA VAL A 14 45.457 13.972 -38.678 1.00 0.00 C ATOM 185 C VAL A 14 43.990 14.389 -38.686 1.00 0.00 C ATOM 186 O VAL A 14 43.458 14.811 -39.713 1.00 0.00 O ATOM 187 CB VAL A 14 46.229 14.843 -39.687 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.774 14.546 -41.108 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.054 16.319 -39.363 1.00 0.00 C ATOM 0 H VAL A 14 46.480 12.319 -39.462 1.00 0.00 H new ATOM 0 HA VAL A 14 45.866 14.127 -37.679 1.00 0.00 H new ATOM 0 HB VAL A 14 47.289 14.600 -39.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.331 15.171 -41.806 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.956 13.496 -41.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.709 14.758 -41.201 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.607 16.918 -40.087 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.996 16.579 -39.409 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.433 16.519 -38.361 1.00 0.00 H new ATOM 199 N GLY A 15 43.343 14.265 -37.532 1.00 0.00 N ATOM 200 CA GLY A 15 41.944 14.631 -37.421 1.00 0.00 C ATOM 201 C GLY A 15 41.016 13.453 -37.637 1.00 0.00 C ATOM 202 O GLY A 15 40.069 13.535 -38.419 1.00 0.00 O ATOM 0 H GLY A 15 43.764 13.917 -36.670 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.761 15.057 -36.435 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.716 15.407 -38.151 1.00 0.00 H new ATOM 206 N MET A 16 41.287 12.356 -36.941 1.00 0.00 N ATOM 207 CA MET A 16 40.469 11.155 -37.059 1.00 0.00 C ATOM 208 C MET A 16 39.524 11.020 -35.870 1.00 0.00 C ATOM 209 O MET A 16 38.473 10.387 -35.969 1.00 0.00 O ATOM 210 CB MET A 16 41.358 9.915 -37.164 1.00 0.00 C ATOM 211 CG MET A 16 40.580 8.609 -37.195 1.00 0.00 C ATOM 212 SD MET A 16 40.831 7.687 -38.724 1.00 0.00 S ATOM 213 CE MET A 16 42.347 6.811 -38.344 1.00 0.00 C ATOM 0 H MET A 16 42.067 12.273 -36.289 1.00 0.00 H new ATOM 0 HA MET A 16 39.871 11.241 -37.966 1.00 0.00 H new ATOM 0 HB2 MET A 16 41.964 9.988 -38.067 1.00 0.00 H new ATOM 0 HB3 MET A 16 42.046 9.899 -36.318 1.00 0.00 H new ATOM 0 HG2 MET A 16 40.881 7.991 -36.349 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.518 8.820 -37.073 1.00 0.00 H new ATOM 0 HE1 MET A 16 42.316 5.819 -38.794 1.00 0.00 H new ATOM 0 HE2 MET A 16 43.197 7.365 -38.743 1.00 0.00 H new ATOM 0 HE3 MET A 16 42.451 6.716 -37.263 1.00 0.00 H new ATOM 223 N GLN A 17 39.904 11.617 -34.744 1.00 0.00 N ATOM 224 CA GLN A 17 39.087 11.561 -33.537 1.00 0.00 C ATOM 225 C GLN A 17 38.818 10.115 -33.133 1.00 0.00 C ATOM 226 O GLN A 17 38.840 9.214 -33.971 1.00 0.00 O ATOM 227 CB GLN A 17 37.765 12.296 -33.758 1.00 0.00 C ATOM 228 CG GLN A 17 37.744 13.699 -33.175 1.00 0.00 C ATOM 229 CD GLN A 17 36.410 14.392 -33.368 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.216 15.134 -34.330 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.480 14.152 -32.450 1.00 0.00 N ATOM 0 H GLN A 17 40.771 12.144 -34.643 1.00 0.00 H new ATOM 0 HA GLN A 17 39.635 12.050 -32.731 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.565 12.353 -34.828 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.957 11.715 -33.314 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.972 13.649 -32.110 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.529 14.294 -33.642 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.684 13.530 -31.668 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.562 14.590 -32.527 1.00 0.00 H new ATOM 240 N TRP A 18 38.563 9.899 -31.846 1.00 0.00 N ATOM 241 CA TRP A 18 38.289 8.558 -31.342 1.00 0.00 C ATOM 242 C TRP A 18 37.897 8.585 -29.864 1.00 0.00 C ATOM 243 O TRP A 18 37.837 9.649 -29.240 1.00 0.00 O ATOM 244 CB TRP A 18 39.506 7.658 -31.547 1.00 0.00 C ATOM 245 CG TRP A 18 40.622 7.959 -30.601 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.709 7.574 -29.297 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.806 8.715 -30.880 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.875 8.038 -28.747 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.567 8.745 -29.698 1.00 0.00 C ATOM 250 CE3 TRP A 18 42.297 9.368 -32.015 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.790 9.404 -29.617 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.512 10.021 -31.933 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.247 10.034 -30.742 1.00 0.00 C ATOM 0 H TRP A 18 38.540 10.631 -31.136 1.00 0.00 H new ATOM 0 HA TRP A 18 37.447 8.156 -31.905 1.00 0.00 H new ATOM 0 HB2 TRP A 18 39.206 6.617 -31.426 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.865 7.769 -32.570 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.967 6.989 -28.773 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.179 7.883 -27.786 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.737 9.362 -32.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.358 9.418 -28.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.901 10.530 -32.803 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.194 10.552 -30.710 1.00 0.00 H new ATOM 264 N LEU A 19 37.626 7.403 -29.314 1.00 0.00 N ATOM 265 CA LEU A 19 37.226 7.272 -27.917 1.00 0.00 C ATOM 266 C LEU A 19 38.362 6.729 -27.059 1.00 0.00 C ATOM 267 O LEU A 19 39.000 5.737 -27.409 1.00 0.00 O ATOM 268 CB LEU A 19 36.016 6.338 -27.796 1.00 0.00 C ATOM 269 CG LEU A 19 34.653 6.958 -28.123 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.682 8.465 -27.945 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.225 6.598 -29.536 1.00 0.00 C ATOM 0 H LEU A 19 37.677 6.518 -29.819 1.00 0.00 H new ATOM 0 HA LEU A 19 36.964 8.267 -27.558 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.173 5.485 -28.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.982 5.950 -26.778 1.00 0.00 H new ATOM 0 HG LEU A 19 33.923 6.549 -27.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.702 8.878 -28.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.935 8.705 -26.912 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.430 8.896 -28.611 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.255 7.048 -29.748 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.962 6.973 -30.246 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.150 5.515 -29.629 1.00 0.00 H new ATOM 283 N LYS A 20 38.598 7.379 -25.923 1.00 0.00 N ATOM 284 CA LYS A 20 39.645 6.954 -25.003 1.00 0.00 C ATOM 285 C LYS A 20 39.048 6.522 -23.667 1.00 0.00 C ATOM 286 O LYS A 20 38.204 7.212 -23.097 1.00 0.00 O ATOM 287 CB LYS A 20 40.651 8.081 -24.781 1.00 0.00 C ATOM 288 CG LYS A 20 42.036 7.596 -24.387 1.00 0.00 C ATOM 289 CD LYS A 20 42.603 6.631 -25.415 1.00 0.00 C ATOM 290 CE LYS A 20 42.694 5.219 -24.860 1.00 0.00 C ATOM 291 NZ LYS A 20 42.458 4.193 -25.914 1.00 0.00 N ATOM 0 H LYS A 20 38.078 8.202 -25.619 1.00 0.00 H new ATOM 0 HA LYS A 20 40.160 6.102 -25.448 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.729 8.671 -25.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.273 8.745 -24.003 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.705 8.450 -24.281 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.988 7.106 -23.415 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.973 6.634 -26.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.593 6.967 -25.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.678 5.065 -24.417 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.962 5.095 -24.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.528 3.243 -25.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.509 4.323 -26.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.172 4.295 -26.664 1.00 0.00 H new ATOM 379 N GLN A 26 34.830 7.201 -19.109 1.00 0.00 N ATOM 380 CA GLN A 26 34.931 7.392 -20.551 1.00 0.00 C ATOM 381 C GLN A 26 35.682 8.677 -20.876 1.00 0.00 C ATOM 382 O GLN A 26 35.368 9.743 -20.347 1.00 0.00 O ATOM 383 CB GLN A 26 33.541 7.426 -21.184 1.00 0.00 C ATOM 384 CG GLN A 26 32.932 6.049 -21.390 1.00 0.00 C ATOM 385 CD GLN A 26 31.487 5.978 -20.932 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.204 5.628 -19.786 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.566 6.307 -21.829 1.00 0.00 N ATOM 0 HA GLN A 26 35.487 6.551 -20.965 1.00 0.00 H new ATOM 0 HB2 GLN A 26 32.878 8.017 -20.552 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.601 7.935 -22.146 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.988 5.785 -22.446 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.519 5.310 -20.845 1.00 0.00 H new ATOM 0 HE21 GLN A 26 30.847 6.591 -22.767 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.577 6.276 -21.580 1.00 0.00 H new ATOM 396 N MET A 27 36.679 8.565 -21.746 1.00 0.00 N ATOM 397 CA MET A 27 37.480 9.716 -22.140 1.00 0.00 C ATOM 398 C MET A 27 37.464 9.901 -23.654 1.00 0.00 C ATOM 399 O MET A 27 37.372 8.932 -24.408 1.00 0.00 O ATOM 400 CB MET A 27 38.919 9.546 -21.651 1.00 0.00 C ATOM 401 CG MET A 27 39.692 10.851 -21.555 1.00 0.00 C ATOM 402 SD MET A 27 41.312 10.756 -22.340 1.00 0.00 S ATOM 403 CE MET A 27 42.366 11.339 -21.015 1.00 0.00 C ATOM 0 H MET A 27 36.951 7.689 -22.191 1.00 0.00 H new ATOM 0 HA MET A 27 37.046 10.605 -21.682 1.00 0.00 H new ATOM 0 HB2 MET A 27 38.906 9.069 -20.671 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.445 8.872 -22.327 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.112 11.648 -22.022 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.816 11.119 -20.506 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.404 11.338 -21.348 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.075 12.352 -20.738 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.262 10.682 -20.151 1.00 0.00 H new ATOM 413 N LEU A 28 37.561 11.149 -24.091 1.00 0.00 N ATOM 414 CA LEU A 28 37.567 11.462 -25.514 1.00 0.00 C ATOM 415 C LEU A 28 38.934 11.984 -25.935 1.00 0.00 C ATOM 416 O LEU A 28 39.527 12.814 -25.245 1.00 0.00 O ATOM 417 CB LEU A 28 36.492 12.501 -25.832 1.00 0.00 C ATOM 418 CG LEU A 28 35.957 12.460 -27.263 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.198 11.171 -27.510 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.066 13.661 -27.533 1.00 0.00 C ATOM 0 H LEU A 28 37.637 11.962 -23.480 1.00 0.00 H new ATOM 0 HA LEU A 28 37.352 10.549 -26.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.658 12.361 -25.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.900 13.494 -25.641 1.00 0.00 H new ATOM 0 HG LEU A 28 36.804 12.498 -27.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.824 11.159 -28.534 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.864 10.322 -27.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.359 11.104 -26.817 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.694 13.615 -28.557 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.224 13.653 -26.840 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.640 14.578 -27.396 1.00 0.00 H new ATOM 432 N CYS A 29 39.440 11.497 -27.063 1.00 0.00 N ATOM 433 CA CYS A 29 40.746 11.933 -27.545 1.00 0.00 C ATOM 434 C CYS A 29 40.703 12.291 -29.023 1.00 0.00 C ATOM 435 O CYS A 29 39.846 11.815 -29.767 1.00 0.00 O ATOM 436 CB CYS A 29 41.796 10.853 -27.299 1.00 0.00 C ATOM 437 SG CYS A 29 43.511 11.450 -27.444 1.00 0.00 S ATOM 0 H CYS A 29 38.973 10.809 -27.654 1.00 0.00 H new ATOM 0 HA CYS A 29 41.020 12.829 -26.988 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.649 10.436 -26.303 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.642 10.041 -28.010 1.00 0.00 H new ATOM 442 N THR A 30 41.634 13.142 -29.438 1.00 0.00 N ATOM 443 CA THR A 30 41.707 13.575 -30.829 1.00 0.00 C ATOM 444 C THR A 30 43.112 14.027 -31.201 1.00 0.00 C ATOM 445 O THR A 30 43.838 14.577 -30.374 1.00 0.00 O ATOM 446 CB THR A 30 40.736 14.737 -31.105 1.00 0.00 C ATOM 447 OG1 THR A 30 39.396 14.347 -30.786 1.00 0.00 O ATOM 448 CG2 THR A 30 40.814 15.169 -32.560 1.00 0.00 C ATOM 0 H THR A 30 42.348 13.546 -28.832 1.00 0.00 H new ATOM 0 HA THR A 30 41.430 12.712 -31.435 1.00 0.00 H new ATOM 0 HB THR A 30 41.024 15.579 -30.476 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.812 15.134 -30.810 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.120 15.991 -32.733 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.828 15.496 -32.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.550 14.330 -33.203 1.00 0.00 H new ATOM 456 N CYS A 31 43.482 13.808 -32.458 1.00 0.00 N ATOM 457 CA CYS A 31 44.792 14.214 -32.945 1.00 0.00 C ATOM 458 C CYS A 31 44.667 15.454 -33.819 1.00 0.00 C ATOM 459 O CYS A 31 44.186 15.386 -34.951 1.00 0.00 O ATOM 460 CB CYS A 31 45.461 13.084 -33.729 1.00 0.00 C ATOM 461 SG CYS A 31 44.387 12.270 -34.948 1.00 0.00 S ATOM 0 H CYS A 31 42.894 13.352 -33.156 1.00 0.00 H new ATOM 0 HA CYS A 31 45.417 14.447 -32.083 1.00 0.00 H new ATOM 0 HB2 CYS A 31 46.334 13.484 -34.244 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.822 12.335 -33.024 1.00 0.00 H new ATOM 466 N LEU A 32 45.091 16.587 -33.278 1.00 0.00 N ATOM 467 CA LEU A 32 45.016 17.855 -33.997 1.00 0.00 C ATOM 468 C LEU A 32 46.156 17.982 -35.007 1.00 0.00 C ATOM 469 O LEU A 32 46.075 17.446 -36.112 1.00 0.00 O ATOM 470 CB LEU A 32 45.042 19.029 -33.013 1.00 0.00 C ATOM 471 CG LEU A 32 45.787 18.764 -31.702 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.562 19.996 -31.267 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.814 18.330 -30.616 1.00 0.00 C ATOM 0 H LEU A 32 45.491 16.656 -32.342 1.00 0.00 H new ATOM 0 HA LEU A 32 44.074 17.877 -34.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.501 19.886 -33.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.015 19.309 -32.779 1.00 0.00 H new ATOM 0 HG LEU A 32 46.499 17.956 -31.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.084 19.787 -30.333 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.287 20.260 -32.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.872 20.826 -31.118 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.360 18.146 -29.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.077 19.116 -30.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.307 17.416 -30.926 1.00 0.00 H new ATOM 485 N GLY A 33 47.215 18.694 -34.630 1.00 0.00 N ATOM 486 CA GLY A 33 48.341 18.869 -35.528 1.00 0.00 C ATOM 487 C GLY A 33 49.673 18.740 -34.819 1.00 0.00 C ATOM 488 O GLY A 33 50.598 18.109 -35.330 1.00 0.00 O ATOM 0 H GLY A 33 47.312 19.150 -33.723 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.284 18.128 -36.326 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.277 19.850 -35.999 1.00 0.00 H new ATOM 492 N ASN A 34 49.767 19.337 -33.639 1.00 0.00 N ATOM 493 CA ASN A 34 50.993 19.286 -32.852 1.00 0.00 C ATOM 494 C ASN A 34 51.164 17.912 -32.215 1.00 0.00 C ATOM 495 O ASN A 34 52.284 17.466 -31.964 1.00 0.00 O ATOM 496 CB ASN A 34 50.975 20.367 -31.771 1.00 0.00 C ATOM 497 CG ASN A 34 50.023 20.042 -30.639 1.00 0.00 C ATOM 498 OD1 ASN A 34 49.167 19.166 -30.763 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.166 20.751 -29.527 1.00 0.00 N ATOM 0 H ASN A 34 49.009 19.863 -33.205 1.00 0.00 H new ATOM 0 HA ASN A 34 51.836 19.468 -33.518 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.981 20.492 -31.370 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.690 21.319 -32.219 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.552 20.580 -28.730 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.890 21.468 -29.469 1.00 0.00 H new ATOM 506 N GLY A 35 50.044 17.243 -31.961 1.00 0.00 N ATOM 507 CA GLY A 35 50.086 15.926 -31.359 1.00 0.00 C ATOM 508 C GLY A 35 48.706 15.327 -31.176 1.00 0.00 C ATOM 509 O GLY A 35 47.910 15.286 -32.115 1.00 0.00 O ATOM 0 H GLY A 35 49.107 17.592 -32.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.686 15.264 -31.983 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.583 15.988 -30.391 1.00 0.00 H new ATOM 513 N VAL A 36 48.420 14.864 -29.964 1.00 0.00 N ATOM 514 CA VAL A 36 47.126 14.267 -29.660 1.00 0.00 C ATOM 515 C VAL A 36 46.586 14.796 -28.331 1.00 0.00 C ATOM 516 O VAL A 36 47.269 14.751 -27.309 1.00 0.00 O ATOM 517 CB VAL A 36 47.218 12.716 -29.626 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.298 12.112 -28.571 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.895 12.141 -30.992 1.00 0.00 C ATOM 0 H VAL A 36 49.067 14.891 -29.176 1.00 0.00 H new ATOM 0 HA VAL A 36 46.435 14.549 -30.454 1.00 0.00 H new ATOM 0 HB VAL A 36 48.242 12.456 -29.357 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.395 11.026 -28.582 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.575 12.491 -27.587 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.266 12.387 -28.788 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.963 11.054 -30.954 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.885 12.432 -31.279 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.605 12.524 -31.725 1.00 0.00 H new ATOM 529 N SER A 37 45.354 15.293 -28.357 1.00 0.00 N ATOM 530 CA SER A 37 44.718 15.825 -27.158 1.00 0.00 C ATOM 531 C SER A 37 43.459 15.035 -26.819 1.00 0.00 C ATOM 532 O SER A 37 42.757 14.555 -27.709 1.00 0.00 O ATOM 533 CB SER A 37 44.374 17.303 -27.350 1.00 0.00 C ATOM 534 OG SER A 37 43.937 17.888 -26.135 1.00 0.00 O ATOM 0 H SER A 37 44.776 15.338 -29.196 1.00 0.00 H new ATOM 0 HA SER A 37 45.420 15.730 -26.329 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.248 17.838 -27.721 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.595 17.403 -28.106 1.00 0.00 H new ATOM 0 HG SER A 37 43.725 18.833 -26.285 1.00 0.00 H new ATOM 540 N CYS A 38 43.179 14.900 -25.527 1.00 0.00 N ATOM 541 CA CYS A 38 42.006 14.163 -25.076 1.00 0.00 C ATOM 542 C CYS A 38 41.471 14.734 -23.766 1.00 0.00 C ATOM 543 O CYS A 38 42.223 15.297 -22.968 1.00 0.00 O ATOM 544 CB CYS A 38 42.342 12.680 -24.898 1.00 0.00 C ATOM 545 SG CYS A 38 43.952 12.177 -25.597 1.00 0.00 S ATOM 0 H CYS A 38 43.748 15.291 -24.776 1.00 0.00 H new ATOM 0 HA CYS A 38 41.234 14.265 -25.838 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.333 12.444 -23.834 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.557 12.084 -25.363 1.00 0.00 H new ATOM 550 N GLN A 39 40.168 14.586 -23.552 1.00 0.00 N ATOM 551 CA GLN A 39 39.527 15.087 -22.341 1.00 0.00 C ATOM 552 C GLN A 39 38.639 14.017 -21.715 1.00 0.00 C ATOM 553 O GLN A 39 37.815 13.405 -22.395 1.00 0.00 O ATOM 554 CB GLN A 39 38.697 16.330 -22.662 1.00 0.00 C ATOM 555 CG GLN A 39 38.064 16.974 -21.439 1.00 0.00 C ATOM 556 CD GLN A 39 37.078 18.066 -21.805 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.864 17.868 -21.747 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.597 19.228 -22.186 1.00 0.00 N ATOM 0 H GLN A 39 39.534 14.122 -24.203 1.00 0.00 H new ATOM 0 HA GLN A 39 40.306 15.351 -21.626 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.333 17.062 -23.159 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.911 16.059 -23.367 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.554 16.210 -20.852 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.847 17.392 -20.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.609 19.348 -22.219 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.983 20.000 -22.445 1.00 0.00 H new ATOM 636 N GLN A 45 29.379 23.329 -23.402 1.00 0.00 N ATOM 637 CA GLN A 45 28.413 24.316 -22.936 1.00 0.00 C ATOM 638 C GLN A 45 27.059 24.115 -23.610 1.00 0.00 C ATOM 639 O GLN A 45 26.916 23.281 -24.504 1.00 0.00 O ATOM 640 CB GLN A 45 28.924 25.732 -23.210 1.00 0.00 C ATOM 641 CG GLN A 45 30.429 25.876 -23.052 1.00 0.00 C ATOM 642 CD GLN A 45 30.813 27.022 -22.138 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.275 27.162 -21.039 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.748 27.851 -22.588 1.00 0.00 N ATOM 0 HA GLN A 45 28.288 24.183 -21.861 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.644 26.021 -24.223 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.428 26.426 -22.532 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.839 24.947 -22.656 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.880 26.031 -24.032 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.167 27.697 -23.505 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.047 28.641 -22.017 1.00 0.00 H new ATOM 653 N THR A 46 26.067 24.885 -23.174 1.00 0.00 N ATOM 654 CA THR A 46 24.725 24.793 -23.734 1.00 0.00 C ATOM 655 C THR A 46 23.919 26.054 -23.438 1.00 0.00 C ATOM 656 O THR A 46 23.833 26.493 -22.291 1.00 0.00 O ATOM 657 CB THR A 46 23.965 23.574 -23.179 1.00 0.00 C ATOM 658 OG1 THR A 46 23.901 23.645 -21.750 1.00 0.00 O ATOM 659 CG2 THR A 46 24.640 22.275 -23.597 1.00 0.00 C ATOM 0 H THR A 46 26.168 25.580 -22.434 1.00 0.00 H new ATOM 0 HA THR A 46 24.841 24.680 -24.812 1.00 0.00 H new ATOM 0 HB THR A 46 22.955 23.588 -23.590 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.959 22.742 -21.375 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.084 21.429 -23.192 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.660 22.209 -24.685 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.660 22.255 -23.214 1.00 0.00 H new ATOM 667 N TYR A 47 23.330 26.632 -24.480 1.00 0.00 N ATOM 668 CA TYR A 47 22.528 27.842 -24.331 1.00 0.00 C ATOM 669 C TYR A 47 21.274 27.774 -25.196 1.00 0.00 C ATOM 670 O TYR A 47 21.330 27.372 -26.358 1.00 0.00 O ATOM 671 CB TYR A 47 23.353 29.075 -24.704 1.00 0.00 C ATOM 672 CG TYR A 47 23.864 29.054 -26.127 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.047 29.432 -27.185 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.164 28.654 -26.411 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.510 29.412 -28.486 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.635 28.632 -27.711 1.00 0.00 C ATOM 677 CZ TYR A 47 24.805 29.011 -28.743 1.00 0.00 C ATOM 678 OH TYR A 47 25.270 28.989 -30.039 1.00 0.00 O ATOM 0 H TYR A 47 23.393 26.283 -25.436 1.00 0.00 H new ATOM 0 HA TYR A 47 22.223 27.919 -23.287 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.744 29.967 -24.559 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.201 29.154 -24.024 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.033 29.747 -26.987 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.817 28.356 -25.604 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.862 29.709 -29.298 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.648 28.319 -27.916 1.00 0.00 H new ATOM 0 HH TYR A 47 26.235 29.160 -30.043 1.00 0.00 H new ATOM 688 N GLY A 48 20.144 28.171 -24.622 1.00 0.00 N ATOM 689 CA GLY A 48 18.892 28.149 -25.357 1.00 0.00 C ATOM 690 C GLY A 48 18.497 26.750 -25.790 1.00 0.00 C ATOM 691 O GLY A 48 18.068 25.937 -24.972 1.00 0.00 O ATOM 0 H GLY A 48 20.072 28.507 -23.662 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.102 28.570 -24.735 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.979 28.787 -26.236 1.00 0.00 H new ATOM 695 N GLY A 49 18.640 26.472 -27.082 1.00 0.00 N ATOM 696 CA GLY A 49 18.287 25.162 -27.601 1.00 0.00 C ATOM 697 C GLY A 49 16.835 24.813 -27.347 1.00 0.00 C ATOM 698 O GLY A 49 15.974 25.693 -27.323 1.00 0.00 O ATOM 0 H GLY A 49 18.993 27.129 -27.778 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.483 25.134 -28.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.925 24.408 -27.141 1.00 0.00 H new ATOM 702 N ASN A 50 16.561 23.528 -27.154 1.00 0.00 N ATOM 703 CA ASN A 50 15.201 23.068 -26.899 1.00 0.00 C ATOM 704 C ASN A 50 15.008 22.726 -25.424 1.00 0.00 C ATOM 705 O ASN A 50 13.970 22.192 -25.032 1.00 0.00 O ATOM 706 CB ASN A 50 14.882 21.849 -27.766 1.00 0.00 C ATOM 707 CG ASN A 50 13.453 21.857 -28.271 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.548 22.353 -27.599 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.242 21.306 -29.461 1.00 0.00 N ATOM 0 H ASN A 50 17.262 22.787 -27.169 1.00 0.00 H new ATOM 0 HA ASN A 50 14.516 23.876 -27.156 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.564 21.822 -28.615 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.055 20.941 -27.189 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.300 21.282 -29.852 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.022 20.907 -29.984 1.00 0.00 H new ATOM 716 N SER A 51 16.014 23.035 -24.611 1.00 0.00 N ATOM 717 CA SER A 51 15.952 22.760 -23.179 1.00 0.00 C ATOM 718 C SER A 51 16.562 23.906 -22.377 1.00 0.00 C ATOM 719 O SER A 51 16.809 23.773 -21.178 1.00 0.00 O ATOM 720 CB SER A 51 16.679 21.453 -22.858 1.00 0.00 C ATOM 721 OG SER A 51 15.830 20.552 -22.169 1.00 0.00 O ATOM 0 H SER A 51 16.881 23.475 -24.919 1.00 0.00 H new ATOM 0 HA SER A 51 14.903 22.663 -22.898 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.030 20.992 -23.781 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.560 21.663 -22.252 1.00 0.00 H new ATOM 0 HG SER A 51 16.219 20.339 -21.295 1.00 0.00 H new ATOM 727 N ASN A 52 16.804 25.029 -23.046 1.00 0.00 N ATOM 728 CA ASN A 52 17.386 26.196 -22.394 1.00 0.00 C ATOM 729 C ASN A 52 18.758 25.866 -21.813 1.00 0.00 C ATOM 730 O ASN A 52 19.067 26.231 -20.679 1.00 0.00 O ATOM 731 CB ASN A 52 16.460 26.705 -21.288 1.00 0.00 C ATOM 732 CG ASN A 52 17.069 27.850 -20.502 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.969 27.900 -19.277 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.704 28.780 -21.208 1.00 0.00 N ATOM 0 H ASN A 52 16.606 25.155 -24.039 1.00 0.00 H new ATOM 0 HA ASN A 52 17.507 26.977 -23.144 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.518 27.032 -21.729 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.227 25.886 -20.608 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.133 29.575 -20.735 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.763 28.698 -22.223 1.00 0.00 H new ATOM 741 N GLY A 53 19.576 25.174 -22.599 1.00 0.00 N ATOM 742 CA GLY A 53 20.904 24.805 -22.146 1.00 0.00 C ATOM 743 C GLY A 53 20.909 23.506 -21.362 1.00 0.00 C ATOM 744 O GLY A 53 20.564 22.451 -21.893 1.00 0.00 O ATOM 0 H GLY A 53 19.343 24.862 -23.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.565 24.708 -23.008 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.307 25.603 -21.523 1.00 0.00 H new ATOM 748 N GLU A 54 21.301 23.586 -20.095 1.00 0.00 N ATOM 749 CA GLU A 54 21.350 22.411 -19.232 1.00 0.00 C ATOM 750 C GLU A 54 22.462 21.461 -19.660 1.00 0.00 C ATOM 751 O GLU A 54 22.979 21.549 -20.774 1.00 0.00 O ATOM 752 CB GLU A 54 20.007 21.678 -19.250 1.00 0.00 C ATOM 753 CG GLU A 54 18.815 22.589 -19.016 1.00 0.00 C ATOM 754 CD GLU A 54 17.519 21.820 -18.846 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.557 20.711 -18.273 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.466 22.327 -19.286 1.00 0.00 O ATOM 0 H GLU A 54 21.590 24.453 -19.642 1.00 0.00 H new ATOM 0 HA GLU A 54 21.558 22.752 -18.218 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.888 21.178 -20.211 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.016 20.901 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.994 23.194 -18.127 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.718 23.277 -19.856 1.00 0.00 H new ATOM 763 N PRO A 55 22.842 20.537 -18.768 1.00 0.00 N ATOM 764 CA PRO A 55 23.896 19.554 -19.031 1.00 0.00 C ATOM 765 C PRO A 55 23.468 18.506 -20.053 1.00 0.00 C ATOM 766 O PRO A 55 22.457 17.827 -19.873 1.00 0.00 O ATOM 767 CB PRO A 55 24.135 18.892 -17.664 1.00 0.00 C ATOM 768 CG PRO A 55 23.388 19.723 -16.671 1.00 0.00 C ATOM 769 CD PRO A 55 22.271 20.379 -17.428 1.00 0.00 C ATOM 0 HA PRO A 55 24.785 20.024 -19.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.777 17.863 -17.660 1.00 0.00 H new ATOM 0 HB3 PRO A 55 25.198 18.860 -17.426 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.999 19.106 -15.861 1.00 0.00 H new ATOM 0 HG3 PRO A 55 24.041 20.469 -16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.373 19.762 -17.440 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.993 21.338 -16.990 1.00 0.00 H new ATOM 777 N CYS A 56 24.246 18.375 -21.123 1.00 0.00 N ATOM 778 CA CYS A 56 23.946 17.404 -22.169 1.00 0.00 C ATOM 779 C CYS A 56 23.940 15.987 -21.604 1.00 0.00 C ATOM 780 O CYS A 56 23.849 15.795 -20.391 1.00 0.00 O ATOM 781 CB CYS A 56 24.963 17.515 -23.305 1.00 0.00 C ATOM 782 SG CYS A 56 25.351 19.227 -23.791 1.00 0.00 S ATOM 0 H CYS A 56 25.087 18.928 -21.288 1.00 0.00 H new ATOM 0 HA CYS A 56 22.954 17.622 -22.563 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.884 17.017 -23.003 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.581 16.980 -24.174 1.00 0.00 H new ATOM 787 N VAL A 57 24.031 14.997 -22.486 1.00 0.00 N ATOM 788 CA VAL A 57 24.029 13.603 -22.061 1.00 0.00 C ATOM 789 C VAL A 57 24.662 12.694 -23.113 1.00 0.00 C ATOM 790 O VAL A 57 24.090 11.674 -23.494 1.00 0.00 O ATOM 791 CB VAL A 57 22.598 13.115 -21.765 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.851 12.819 -23.056 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.627 11.891 -20.863 1.00 0.00 C ATOM 0 H VAL A 57 24.107 15.133 -23.494 1.00 0.00 H new ATOM 0 HA VAL A 57 24.623 13.551 -21.149 1.00 0.00 H new ATOM 0 HB VAL A 57 22.066 13.910 -21.243 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.843 12.476 -22.823 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.795 13.725 -23.660 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.378 12.044 -23.612 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.607 11.561 -20.665 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.179 11.090 -21.355 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.116 12.144 -19.922 1.00 0.00 H new ATOM 803 N LEU A 58 25.854 13.064 -23.571 1.00 0.00 N ATOM 804 CA LEU A 58 26.562 12.269 -24.569 1.00 0.00 C ATOM 805 C LEU A 58 27.629 11.400 -23.913 1.00 0.00 C ATOM 806 O LEU A 58 28.017 11.630 -22.768 1.00 0.00 O ATOM 807 CB LEU A 58 27.204 13.159 -25.641 1.00 0.00 C ATOM 808 CG LEU A 58 27.371 14.635 -25.271 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.016 15.290 -25.065 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.238 14.780 -24.028 1.00 0.00 C ATOM 0 H LEU A 58 26.348 13.904 -23.269 1.00 0.00 H new ATOM 0 HA LEU A 58 25.827 11.625 -25.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.185 12.752 -25.884 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.600 13.097 -26.546 1.00 0.00 H new ATOM 0 HG LEU A 58 27.872 15.143 -26.095 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.155 16.339 -24.803 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.434 15.220 -25.984 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.485 14.782 -24.260 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.345 15.836 -23.780 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.769 14.258 -23.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.221 14.350 -24.218 1.00 0.00 H new ATOM 822 N PRO A 59 28.114 10.382 -24.638 1.00 0.00 N ATOM 823 CA PRO A 59 27.660 10.097 -26.002 1.00 0.00 C ATOM 824 C PRO A 59 26.245 9.533 -26.034 1.00 0.00 C ATOM 825 O PRO A 59 25.926 8.584 -25.317 1.00 0.00 O ATOM 826 CB PRO A 59 28.663 9.058 -26.499 1.00 0.00 C ATOM 827 CG PRO A 59 29.150 8.382 -25.265 1.00 0.00 C ATOM 828 CD PRO A 59 29.144 9.431 -24.186 1.00 0.00 C ATOM 0 HA PRO A 59 27.620 10.997 -26.616 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.193 8.348 -27.180 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.483 9.527 -27.043 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.505 7.545 -24.999 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.152 7.978 -25.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.898 9.005 -23.213 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.118 9.911 -24.087 1.00 0.00 H new ATOM 836 N PHE A 60 25.399 10.124 -26.871 1.00 0.00 N ATOM 837 CA PHE A 60 24.017 9.682 -27.000 1.00 0.00 C ATOM 838 C PHE A 60 23.781 9.041 -28.364 1.00 0.00 C ATOM 839 O PHE A 60 24.721 8.818 -29.125 1.00 0.00 O ATOM 840 CB PHE A 60 23.068 10.864 -26.808 1.00 0.00 C ATOM 841 CG PHE A 60 23.443 12.060 -27.632 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.108 12.125 -28.974 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.138 13.116 -27.066 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.457 13.223 -29.737 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.491 14.216 -27.824 1.00 0.00 C ATOM 846 CZ PHE A 60 24.150 14.270 -29.161 1.00 0.00 C ATOM 0 H PHE A 60 25.647 10.911 -27.470 1.00 0.00 H new ATOM 0 HA PHE A 60 23.821 8.937 -26.229 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.055 10.555 -27.067 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.056 11.145 -25.755 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.568 11.308 -29.430 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.407 13.079 -26.021 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.188 13.263 -30.782 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.033 15.033 -27.371 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.425 15.129 -29.755 1.00 0.00 H new ATOM 856 N THR A 61 22.521 8.749 -28.666 1.00 0.00 N ATOM 857 CA THR A 61 22.166 8.134 -29.940 1.00 0.00 C ATOM 858 C THR A 61 21.020 8.883 -30.611 1.00 0.00 C ATOM 859 O THR A 61 19.975 9.115 -30.003 1.00 0.00 O ATOM 860 CB THR A 61 21.763 6.660 -29.757 1.00 0.00 C ATOM 861 OG1 THR A 61 22.407 6.115 -28.599 1.00 0.00 O ATOM 862 CG2 THR A 61 22.138 5.841 -30.983 1.00 0.00 C ATOM 0 H THR A 61 21.730 8.928 -28.048 1.00 0.00 H new ATOM 0 HA THR A 61 23.051 8.186 -30.575 1.00 0.00 H new ATOM 0 HB THR A 61 20.682 6.616 -29.625 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.144 5.177 -28.489 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.844 4.803 -30.831 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.624 6.239 -31.858 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.215 5.893 -31.140 1.00 0.00 H new ATOM 870 N TYR A 62 21.220 9.256 -31.871 1.00 0.00 N ATOM 871 CA TYR A 62 20.201 9.976 -32.625 1.00 0.00 C ATOM 872 C TYR A 62 20.194 9.536 -34.085 1.00 0.00 C ATOM 873 O TYR A 62 21.236 9.497 -34.739 1.00 0.00 O ATOM 874 CB TYR A 62 20.432 11.486 -32.535 1.00 0.00 C ATOM 875 CG TYR A 62 19.602 12.282 -33.518 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.234 12.441 -33.333 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.186 12.871 -34.633 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.472 13.163 -34.231 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.430 13.596 -35.534 1.00 0.00 C ATOM 880 CZ TYR A 62 18.074 13.739 -35.329 1.00 0.00 C ATOM 881 OH TYR A 62 17.319 14.459 -36.226 1.00 0.00 O ATOM 0 H TYR A 62 22.078 9.072 -32.391 1.00 0.00 H new ATOM 0 HA TYR A 62 19.231 9.741 -32.187 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.203 11.821 -31.523 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.487 11.695 -32.709 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.759 11.993 -32.473 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.248 12.760 -34.798 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.410 13.276 -34.073 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.899 14.049 -36.395 1.00 0.00 H new ATOM 0 HH TYR A 62 17.910 15.001 -36.790 1.00 0.00 H new ATOM 891 N ASN A 63 19.010 9.206 -34.590 1.00 0.00 N ATOM 892 CA ASN A 63 18.863 8.770 -35.972 1.00 0.00 C ATOM 893 C ASN A 63 19.530 7.416 -36.193 1.00 0.00 C ATOM 894 O ASN A 63 19.637 6.944 -37.325 1.00 0.00 O ATOM 895 CB ASN A 63 19.460 9.807 -36.924 1.00 0.00 C ATOM 896 CG ASN A 63 18.447 10.316 -37.929 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.433 9.890 -39.084 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.590 11.230 -37.492 1.00 0.00 N ATOM 0 H ASN A 63 18.138 9.233 -34.061 1.00 0.00 H new ATOM 0 HA ASN A 63 17.798 8.667 -36.180 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.848 10.646 -36.346 1.00 0.00 H new ATOM 0 HB3 ASN A 63 20.305 9.367 -37.454 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.883 11.608 -38.122 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.639 11.554 -36.526 1.00 0.00 H new ATOM 905 N GLY A 64 19.974 6.795 -35.106 1.00 0.00 N ATOM 906 CA GLY A 64 20.622 5.501 -35.206 1.00 0.00 C ATOM 907 C GLY A 64 22.120 5.580 -34.994 1.00 0.00 C ATOM 908 O GLY A 64 22.775 4.563 -34.767 1.00 0.00 O ATOM 0 H GLY A 64 19.897 7.164 -34.158 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.190 4.825 -34.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.420 5.073 -36.188 1.00 0.00 H new ATOM 912 N ARG A 65 22.665 6.789 -35.066 1.00 0.00 N ATOM 913 CA ARG A 65 24.097 6.990 -34.879 1.00 0.00 C ATOM 914 C ARG A 65 24.401 7.409 -33.444 1.00 0.00 C ATOM 915 O ARG A 65 23.545 7.312 -32.565 1.00 0.00 O ATOM 916 CB ARG A 65 24.621 8.048 -35.853 1.00 0.00 C ATOM 917 CG ARG A 65 24.003 9.421 -35.654 1.00 0.00 C ATOM 918 CD ARG A 65 23.133 9.816 -36.836 1.00 0.00 C ATOM 919 NE ARG A 65 23.839 10.694 -37.765 1.00 0.00 N ATOM 920 CZ ARG A 65 23.409 10.963 -38.994 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.282 10.425 -39.436 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.108 11.770 -39.780 1.00 0.00 N ATOM 0 H ARG A 65 22.139 7.643 -35.252 1.00 0.00 H new ATOM 0 HA ARG A 65 24.600 6.044 -35.080 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.703 8.127 -35.743 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.428 7.717 -36.873 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.404 9.423 -34.743 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.792 10.160 -35.518 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.807 8.919 -37.362 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.235 10.318 -36.474 1.00 0.00 H new ATOM 0 HE ARG A 65 24.710 11.125 -37.454 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.743 9.803 -38.833 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.953 10.632 -40.379 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.976 12.185 -39.442 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.777 11.976 -40.723 1.00 0.00 H new ATOM 936 N THR A 66 25.624 7.873 -33.213 1.00 0.00 N ATOM 937 CA THR A 66 26.038 8.306 -31.885 1.00 0.00 C ATOM 938 C THR A 66 26.880 9.576 -31.961 1.00 0.00 C ATOM 939 O THR A 66 27.588 9.804 -32.942 1.00 0.00 O ATOM 940 CB THR A 66 26.844 7.214 -31.158 1.00 0.00 C ATOM 941 OG1 THR A 66 26.197 5.943 -31.306 1.00 0.00 O ATOM 942 CG2 THR A 66 26.992 7.544 -29.681 1.00 0.00 C ATOM 0 H THR A 66 26.346 7.959 -33.929 1.00 0.00 H new ATOM 0 HA THR A 66 25.127 8.506 -31.322 1.00 0.00 H new ATOM 0 HB THR A 66 27.837 7.169 -31.606 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.718 5.255 -30.842 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.565 6.758 -29.188 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.512 8.496 -29.571 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.005 7.615 -29.223 1.00 0.00 H new ATOM 950 N PHE A 67 26.798 10.401 -30.922 1.00 0.00 N ATOM 951 CA PHE A 67 27.554 11.647 -30.878 1.00 0.00 C ATOM 952 C PHE A 67 28.174 11.863 -29.502 1.00 0.00 C ATOM 953 O PHE A 67 27.472 11.927 -28.493 1.00 0.00 O ATOM 954 CB PHE A 67 26.651 12.827 -31.241 1.00 0.00 C ATOM 955 CG PHE A 67 25.661 12.505 -32.321 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.653 11.581 -32.100 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.741 13.122 -33.560 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.742 11.279 -33.094 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.833 12.823 -34.557 1.00 0.00 C ATOM 960 CZ PHE A 67 23.832 11.901 -34.323 1.00 0.00 C ATOM 0 H PHE A 67 26.217 10.230 -30.101 1.00 0.00 H new ATOM 0 HA PHE A 67 28.361 11.580 -31.608 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.114 13.152 -30.350 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.270 13.664 -31.563 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.578 11.091 -31.140 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.522 13.844 -33.748 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.960 10.557 -32.910 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.906 13.310 -35.518 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.120 11.667 -35.101 1.00 0.00 H new ATOM 970 N TYR A 68 29.499 11.965 -29.473 1.00 0.00 N ATOM 971 CA TYR A 68 30.230 12.165 -28.227 1.00 0.00 C ATOM 972 C TYR A 68 30.347 13.646 -27.884 1.00 0.00 C ATOM 973 O TYR A 68 31.177 14.034 -27.061 1.00 0.00 O ATOM 974 CB TYR A 68 31.624 11.548 -28.337 1.00 0.00 C ATOM 975 CG TYR A 68 31.693 10.119 -27.860 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.120 9.093 -28.599 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.332 9.795 -26.671 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.180 7.784 -28.166 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.398 8.489 -26.231 1.00 0.00 C ATOM 980 CZ TYR A 68 31.820 7.485 -26.982 1.00 0.00 C ATOM 981 OH TYR A 68 31.881 6.182 -26.546 1.00 0.00 O ATOM 0 H TYR A 68 30.090 11.912 -30.302 1.00 0.00 H new ATOM 0 HA TYR A 68 29.674 11.674 -27.428 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.950 11.591 -29.376 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.325 12.149 -27.758 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.619 9.323 -29.528 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.785 10.578 -26.081 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.728 6.997 -28.752 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.899 8.253 -25.304 1.00 0.00 H new ATOM 0 HH TYR A 68 32.367 6.144 -25.696 1.00 0.00 H new ATOM 991 N SER A 69 29.520 14.470 -28.517 1.00 0.00 N ATOM 992 CA SER A 69 29.547 15.906 -28.267 1.00 0.00 C ATOM 993 C SER A 69 28.455 16.626 -29.047 1.00 0.00 C ATOM 994 O SER A 69 27.469 16.021 -29.469 1.00 0.00 O ATOM 995 CB SER A 69 30.915 16.482 -28.636 1.00 0.00 C ATOM 996 OG SER A 69 31.274 17.543 -27.766 1.00 0.00 O ATOM 0 H SER A 69 28.827 14.171 -29.203 1.00 0.00 H new ATOM 0 HA SER A 69 29.364 16.062 -27.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.669 15.696 -28.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.896 16.842 -29.665 1.00 0.00 H new ATOM 0 HG SER A 69 32.153 17.893 -28.022 1.00 0.00 H new ATOM 1002 N CYS A 70 28.644 17.927 -29.234 1.00 0.00 N ATOM 1003 CA CYS A 70 27.685 18.748 -29.959 1.00 0.00 C ATOM 1004 C CYS A 70 27.498 18.234 -31.381 1.00 0.00 C ATOM 1005 O CYS A 70 28.389 17.599 -31.945 1.00 0.00 O ATOM 1006 CB CYS A 70 28.148 20.207 -29.988 1.00 0.00 C ATOM 1007 SG CYS A 70 29.011 20.752 -28.476 1.00 0.00 S ATOM 0 H CYS A 70 29.458 18.437 -28.891 1.00 0.00 H new ATOM 0 HA CYS A 70 26.728 18.689 -29.441 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.811 20.348 -30.842 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.281 20.848 -30.148 1.00 0.00 H new ATOM 1012 N THR A 71 26.334 18.513 -31.957 1.00 0.00 N ATOM 1013 CA THR A 71 26.032 18.080 -33.317 1.00 0.00 C ATOM 1014 C THR A 71 24.829 18.827 -33.881 1.00 0.00 C ATOM 1015 O THR A 71 23.998 19.342 -33.134 1.00 0.00 O ATOM 1016 CB THR A 71 25.754 16.566 -33.381 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.894 16.099 -34.728 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.356 16.245 -32.873 1.00 0.00 C ATOM 0 H THR A 71 25.585 19.036 -31.504 1.00 0.00 H new ATOM 0 HA THR A 71 26.913 18.306 -33.918 1.00 0.00 H new ATOM 0 HB THR A 71 26.479 16.062 -32.742 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.675 15.145 -34.768 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.186 15.170 -32.929 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.261 16.574 -31.838 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.618 16.761 -33.487 1.00 0.00 H new ATOM 1026 N THR A 72 24.744 18.878 -35.205 1.00 0.00 N ATOM 1027 CA THR A 72 23.644 19.559 -35.877 1.00 0.00 C ATOM 1028 C THR A 72 23.006 18.654 -36.928 1.00 0.00 C ATOM 1029 O THR A 72 23.190 18.855 -38.129 1.00 0.00 O ATOM 1030 CB THR A 72 24.122 20.856 -36.554 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.519 20.763 -36.858 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.875 22.057 -35.654 1.00 0.00 C ATOM 0 H THR A 72 25.425 18.455 -35.836 1.00 0.00 H new ATOM 0 HA THR A 72 22.905 19.807 -35.115 1.00 0.00 H new ATOM 0 HB THR A 72 23.557 20.989 -37.476 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.816 21.591 -37.290 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.221 22.963 -36.153 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.809 22.142 -35.445 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.419 21.928 -34.718 1.00 0.00 H new ATOM 1040 N GLU A 73 22.264 17.650 -36.468 1.00 0.00 N ATOM 1041 CA GLU A 73 21.610 16.705 -37.367 1.00 0.00 C ATOM 1042 C GLU A 73 20.095 16.724 -37.193 1.00 0.00 C ATOM 1043 O GLU A 73 19.391 15.849 -37.700 1.00 0.00 O ATOM 1044 CB GLU A 73 22.138 15.295 -37.109 1.00 0.00 C ATOM 1045 CG GLU A 73 23.545 15.062 -37.638 1.00 0.00 C ATOM 1046 CD GLU A 73 23.694 15.451 -39.096 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.770 15.165 -39.885 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.737 16.041 -39.448 1.00 0.00 O ATOM 0 H GLU A 73 22.101 17.470 -35.477 1.00 0.00 H new ATOM 0 HA GLU A 73 21.837 17.004 -38.390 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.126 15.103 -36.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.462 14.574 -37.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.253 15.635 -37.039 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.804 14.010 -37.519 1.00 0.00 H new ATOM 1055 N GLY A 74 19.596 17.720 -36.472 1.00 0.00 N ATOM 1056 CA GLY A 74 18.166 17.824 -36.245 1.00 0.00 C ATOM 1057 C GLY A 74 17.746 19.191 -35.741 1.00 0.00 C ATOM 1058 O GLY A 74 17.153 19.311 -34.669 1.00 0.00 O ATOM 0 H GLY A 74 20.154 18.457 -36.041 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.639 17.607 -37.174 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.862 17.067 -35.522 1.00 0.00 H new ATOM 1122 N HIS A 79 22.595 25.433 -35.648 1.00 0.00 N ATOM 1123 CA HIS A 79 23.311 25.640 -34.395 1.00 0.00 C ATOM 1124 C HIS A 79 23.559 24.312 -33.684 1.00 0.00 C ATOM 1125 O HIS A 79 22.626 23.551 -33.429 1.00 0.00 O ATOM 1126 CB HIS A 79 22.515 26.576 -33.484 1.00 0.00 C ATOM 1127 CG HIS A 79 21.739 27.614 -34.233 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.520 28.094 -33.806 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.013 28.261 -35.390 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.076 28.991 -34.670 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.965 29.112 -35.639 1.00 0.00 N ATOM 0 HA HIS A 79 24.275 26.094 -34.624 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.827 25.985 -32.879 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.200 27.071 -32.796 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.893 28.132 -36.003 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.145 29.533 -34.596 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.886 29.736 -36.442 1.00 0.00 H new ATOM 1140 N LEU A 80 24.821 24.043 -33.361 1.00 0.00 N ATOM 1141 CA LEU A 80 25.184 22.813 -32.674 1.00 0.00 C ATOM 1142 C LEU A 80 24.270 22.584 -31.477 1.00 0.00 C ATOM 1143 O LEU A 80 23.847 23.536 -30.821 1.00 0.00 O ATOM 1144 CB LEU A 80 26.641 22.878 -32.214 1.00 0.00 C ATOM 1145 CG LEU A 80 27.680 22.695 -33.322 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.318 23.532 -34.539 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.067 23.059 -32.815 1.00 0.00 C ATOM 0 H LEU A 80 25.606 24.661 -33.565 1.00 0.00 H new ATOM 0 HA LEU A 80 25.067 21.980 -33.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.811 23.841 -31.733 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.801 22.111 -31.457 1.00 0.00 H new ATOM 0 HG LEU A 80 27.686 21.646 -33.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.069 23.388 -35.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.343 23.224 -34.916 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.283 24.585 -34.259 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.794 22.923 -33.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.074 24.100 -32.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.328 22.415 -31.975 1.00 0.00 H new ATOM 1159 N TRP A 81 23.963 21.323 -31.196 1.00 0.00 N ATOM 1160 CA TRP A 81 23.090 20.991 -30.078 1.00 0.00 C ATOM 1161 C TRP A 81 23.480 19.663 -29.438 1.00 0.00 C ATOM 1162 O TRP A 81 24.254 18.889 -30.001 1.00 0.00 O ATOM 1163 CB TRP A 81 21.636 20.933 -30.546 1.00 0.00 C ATOM 1164 CG TRP A 81 21.388 19.864 -31.564 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.360 20.015 -32.921 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.134 18.478 -31.307 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.108 18.806 -33.522 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.964 17.848 -32.553 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.035 17.710 -30.144 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.700 16.486 -32.669 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.773 16.357 -30.260 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.607 15.758 -31.515 1.00 0.00 C ATOM 0 H TRP A 81 24.303 20.519 -31.723 1.00 0.00 H new ATOM 0 HA TRP A 81 23.201 21.773 -29.327 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.990 20.763 -29.685 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.358 21.899 -30.967 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.513 20.947 -33.444 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.039 18.647 -34.527 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.161 18.165 -29.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.573 16.021 -33.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.695 15.753 -29.368 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.401 14.699 -31.573 1.00 0.00 H new ATOM 1183 N CYS A 82 22.930 19.409 -28.255 1.00 0.00 N ATOM 1184 CA CYS A 82 23.206 18.180 -27.523 1.00 0.00 C ATOM 1185 C CYS A 82 21.959 17.709 -26.779 1.00 0.00 C ATOM 1186 O CYS A 82 21.052 18.497 -26.513 1.00 0.00 O ATOM 1187 CB CYS A 82 24.351 18.395 -26.533 1.00 0.00 C ATOM 1188 SG CYS A 82 23.998 19.637 -25.247 1.00 0.00 S ATOM 0 H CYS A 82 22.287 20.043 -27.781 1.00 0.00 H new ATOM 0 HA CYS A 82 23.498 17.413 -28.241 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.584 17.445 -26.052 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.241 18.700 -27.084 1.00 0.00 H new ATOM 1193 N SER A 83 21.921 16.424 -26.444 1.00 0.00 N ATOM 1194 CA SER A 83 20.783 15.856 -25.729 1.00 0.00 C ATOM 1195 C SER A 83 20.975 15.990 -24.224 1.00 0.00 C ATOM 1196 O SER A 83 21.979 15.535 -23.676 1.00 0.00 O ATOM 1197 CB SER A 83 20.597 14.386 -26.104 1.00 0.00 C ATOM 1198 OG SER A 83 19.883 13.688 -25.097 1.00 0.00 O ATOM 0 H SER A 83 22.663 15.757 -26.655 1.00 0.00 H new ATOM 0 HA SER A 83 19.889 16.408 -26.017 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.061 14.314 -27.050 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.571 13.920 -26.253 1.00 0.00 H new ATOM 0 HG SER A 83 19.927 12.725 -25.273 1.00 0.00 H new ATOM 1204 N THR A 84 20.012 16.615 -23.555 1.00 0.00 N ATOM 1205 CA THR A 84 20.094 16.800 -22.111 1.00 0.00 C ATOM 1206 C THR A 84 19.490 15.613 -21.374 1.00 0.00 C ATOM 1207 O THR A 84 19.213 15.685 -20.178 1.00 0.00 O ATOM 1208 CB THR A 84 19.385 18.089 -21.660 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.992 18.019 -21.981 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.004 19.309 -22.325 1.00 0.00 C ATOM 0 H THR A 84 19.171 17.000 -23.986 1.00 0.00 H new ATOM 0 HA THR A 84 21.153 16.880 -21.864 1.00 0.00 H new ATOM 0 HB THR A 84 19.504 18.185 -20.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.464 18.341 -21.220 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.486 20.208 -21.991 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.058 19.376 -22.054 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.912 19.219 -23.407 1.00 0.00 H new ATOM 1218 N THR A 85 19.289 14.519 -22.099 1.00 0.00 N ATOM 1219 CA THR A 85 18.719 13.312 -21.518 1.00 0.00 C ATOM 1220 C THR A 85 18.950 12.108 -22.431 1.00 0.00 C ATOM 1221 O THR A 85 18.551 12.112 -23.595 1.00 0.00 O ATOM 1222 CB THR A 85 17.207 13.499 -21.235 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.022 13.938 -19.884 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.412 12.218 -21.459 1.00 0.00 C ATOM 0 H THR A 85 19.513 14.444 -23.091 1.00 0.00 H new ATOM 0 HA THR A 85 19.223 13.123 -20.570 1.00 0.00 H new ATOM 0 HB THR A 85 16.836 14.247 -21.936 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.698 14.612 -19.664 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.359 12.402 -21.247 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.523 11.897 -22.495 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.785 11.438 -20.795 1.00 0.00 H new ATOM 1232 N SER A 86 19.600 11.081 -21.890 1.00 0.00 N ATOM 1233 CA SER A 86 19.890 9.871 -22.649 1.00 0.00 C ATOM 1234 C SER A 86 18.720 9.518 -23.557 1.00 0.00 C ATOM 1235 O SER A 86 18.896 9.272 -24.751 1.00 0.00 O ATOM 1236 CB SER A 86 20.188 8.709 -21.700 1.00 0.00 C ATOM 1237 OG SER A 86 19.739 8.994 -20.386 1.00 0.00 O ATOM 0 H SER A 86 19.936 11.064 -20.927 1.00 0.00 H new ATOM 0 HA SER A 86 20.768 10.054 -23.268 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.703 7.804 -22.065 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.260 8.512 -21.686 1.00 0.00 H new ATOM 0 HG SER A 86 19.940 8.235 -19.800 1.00 0.00 H new ATOM 1243 N ASN A 87 17.524 9.502 -22.982 1.00 0.00 N ATOM 1244 CA ASN A 87 16.319 9.188 -23.734 1.00 0.00 C ATOM 1245 C ASN A 87 15.823 10.417 -24.486 1.00 0.00 C ATOM 1246 O ASN A 87 14.771 10.970 -24.169 1.00 0.00 O ATOM 1247 CB ASN A 87 15.229 8.676 -22.793 1.00 0.00 C ATOM 1248 CG ASN A 87 14.740 7.293 -23.174 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.520 6.442 -23.602 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.441 7.064 -23.022 1.00 0.00 N ATOM 0 H ASN A 87 17.364 9.703 -21.995 1.00 0.00 H new ATOM 0 HA ASN A 87 16.557 8.409 -24.458 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.614 8.654 -21.773 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.389 9.371 -22.802 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.052 6.153 -23.264 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.832 7.800 -22.664 1.00 0.00 H new ATOM 1257 N TYR A 88 16.590 10.840 -25.485 1.00 0.00 N ATOM 1258 CA TYR A 88 16.231 12.003 -26.283 1.00 0.00 C ATOM 1259 C TYR A 88 15.102 11.661 -27.243 1.00 0.00 C ATOM 1260 O TYR A 88 14.347 12.535 -27.670 1.00 0.00 O ATOM 1261 CB TYR A 88 17.445 12.510 -27.060 1.00 0.00 C ATOM 1262 CG TYR A 88 17.086 13.396 -28.230 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.711 12.850 -29.451 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.122 14.779 -28.112 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.382 13.659 -30.523 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.794 15.594 -29.178 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.425 15.030 -30.381 1.00 0.00 C ATOM 1268 OH TYR A 88 16.099 15.838 -31.445 1.00 0.00 O ATOM 0 H TYR A 88 17.465 10.393 -25.760 1.00 0.00 H new ATOM 0 HA TYR A 88 15.891 12.790 -25.610 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.095 13.063 -26.382 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.016 11.656 -27.423 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.676 11.777 -29.565 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.411 15.225 -27.172 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.093 13.220 -31.466 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.826 16.668 -29.070 1.00 0.00 H new ATOM 0 HH TYR A 88 16.179 16.778 -31.179 1.00 0.00 H new ATOM 1278 N GLU A 89 14.988 10.380 -27.574 1.00 0.00 N ATOM 1279 CA GLU A 89 13.945 9.919 -28.478 1.00 0.00 C ATOM 1280 C GLU A 89 12.590 9.952 -27.784 1.00 0.00 C ATOM 1281 O GLU A 89 11.544 9.906 -28.431 1.00 0.00 O ATOM 1282 CB GLU A 89 14.251 8.503 -28.969 1.00 0.00 C ATOM 1283 CG GLU A 89 15.736 8.213 -29.113 1.00 0.00 C ATOM 1284 CD GLU A 89 16.043 7.313 -30.295 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.947 7.791 -31.445 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.378 6.132 -30.070 1.00 0.00 O ATOM 0 H GLU A 89 15.605 9.644 -27.230 1.00 0.00 H new ATOM 0 HA GLU A 89 13.914 10.587 -29.338 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.816 7.785 -28.274 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.765 8.349 -29.932 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.277 9.153 -29.227 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.101 7.744 -28.199 1.00 0.00 H new ATOM 1293 N GLN A 90 12.619 10.035 -26.456 1.00 0.00 N ATOM 1294 CA GLN A 90 11.398 10.080 -25.661 1.00 0.00 C ATOM 1295 C GLN A 90 11.060 11.516 -25.276 1.00 0.00 C ATOM 1296 O GLN A 90 9.941 11.981 -25.490 1.00 0.00 O ATOM 1297 CB GLN A 90 11.558 9.218 -24.403 1.00 0.00 C ATOM 1298 CG GLN A 90 10.677 9.652 -23.242 1.00 0.00 C ATOM 1299 CD GLN A 90 9.210 9.716 -23.618 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.618 10.794 -23.674 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.614 8.557 -23.876 1.00 0.00 N ATOM 0 H GLN A 90 13.478 10.072 -25.908 1.00 0.00 H new ATOM 0 HA GLN A 90 10.579 9.683 -26.261 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.329 8.182 -24.653 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.600 9.246 -24.086 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.806 8.957 -22.413 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.002 10.631 -22.890 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.143 7.687 -23.817 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.627 8.537 -24.133 1.00 0.00 H new ATOM 1310 N ASP A 91 12.037 12.212 -24.709 1.00 0.00 N ATOM 1311 CA ASP A 91 11.850 13.597 -24.295 1.00 0.00 C ATOM 1312 C ASP A 91 12.054 14.545 -25.472 1.00 0.00 C ATOM 1313 O ASP A 91 11.299 15.502 -25.651 1.00 0.00 O ATOM 1314 CB ASP A 91 12.819 13.952 -23.165 1.00 0.00 C ATOM 1315 CG ASP A 91 12.147 14.728 -22.050 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.899 14.706 -21.981 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.866 15.356 -21.246 1.00 0.00 O ATOM 0 H ASP A 91 12.969 11.840 -24.525 1.00 0.00 H new ATOM 0 HA ASP A 91 10.828 13.707 -23.933 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.250 13.037 -22.759 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.643 14.541 -23.568 1.00 0.00 H new ATOM 1322 N GLN A 92 13.077 14.269 -26.273 1.00 0.00 N ATOM 1323 CA GLN A 92 13.381 15.092 -27.436 1.00 0.00 C ATOM 1324 C GLN A 92 13.826 16.490 -27.019 1.00 0.00 C ATOM 1325 O GLN A 92 13.749 17.435 -27.804 1.00 0.00 O ATOM 1326 CB GLN A 92 12.158 15.185 -28.353 1.00 0.00 C ATOM 1327 CG GLN A 92 12.508 15.437 -29.811 1.00 0.00 C ATOM 1328 CD GLN A 92 12.099 14.291 -30.715 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.035 14.321 -31.331 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.947 13.271 -30.799 1.00 0.00 N ATOM 0 H GLN A 92 13.710 13.481 -26.137 1.00 0.00 H new ATOM 0 HA GLN A 92 14.201 14.620 -27.978 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.588 14.259 -28.280 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.510 15.987 -28.000 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.018 16.351 -30.146 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.582 15.600 -29.900 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.819 13.288 -30.270 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.726 12.471 -31.392 1.00 0.00 H new ATOM 1339 N LYS A 93 14.295 16.616 -25.781 1.00 0.00 N ATOM 1340 CA LYS A 93 14.754 17.901 -25.269 1.00 0.00 C ATOM 1341 C LYS A 93 16.275 18.019 -25.395 1.00 0.00 C ATOM 1342 O LYS A 93 17.032 17.294 -24.741 1.00 0.00 O ATOM 1343 CB LYS A 93 14.290 18.091 -23.815 1.00 0.00 C ATOM 1344 CG LYS A 93 15.379 17.919 -22.768 1.00 0.00 C ATOM 1345 CD LYS A 93 15.653 16.449 -22.495 1.00 0.00 C ATOM 1346 CE LYS A 93 15.818 16.173 -21.007 1.00 0.00 C ATOM 1347 NZ LYS A 93 14.926 17.027 -20.176 1.00 0.00 N ATOM 0 H LYS A 93 14.367 15.846 -25.116 1.00 0.00 H new ATOM 0 HA LYS A 93 14.313 18.698 -25.868 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.862 19.088 -23.713 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.491 17.379 -23.608 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.294 18.405 -23.108 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.080 18.413 -21.844 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.834 15.847 -22.888 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.555 16.143 -23.024 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.603 15.123 -20.808 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.855 16.346 -20.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.811 16.597 -19.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.346 17.973 -20.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.997 17.109 -20.636 1.00 0.00 H new ATOM 1361 N TYR A 94 16.712 18.931 -26.258 1.00 0.00 N ATOM 1362 CA TYR A 94 18.133 19.142 -26.497 1.00 0.00 C ATOM 1363 C TYR A 94 18.520 20.605 -26.312 1.00 0.00 C ATOM 1364 O TYR A 94 17.668 21.494 -26.318 1.00 0.00 O ATOM 1365 CB TYR A 94 18.494 18.697 -27.915 1.00 0.00 C ATOM 1366 CG TYR A 94 18.045 19.665 -28.989 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.625 20.924 -29.109 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.040 19.321 -29.886 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.216 21.809 -30.091 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.627 20.200 -30.869 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.217 21.441 -30.967 1.00 0.00 C ATOM 1372 OH TYR A 94 16.808 22.319 -31.946 1.00 0.00 O ATOM 0 H TYR A 94 16.099 19.537 -26.804 1.00 0.00 H new ATOM 0 HA TYR A 94 18.684 18.548 -25.769 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.574 18.569 -27.982 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.045 17.722 -28.106 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.408 21.215 -28.424 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.574 18.350 -29.813 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.677 22.783 -30.171 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.845 19.915 -31.557 1.00 0.00 H new ATOM 0 HH TYR A 94 16.097 21.906 -32.480 1.00 0.00 H new ATOM 1382 N SER A 95 19.819 20.842 -26.168 1.00 0.00 N ATOM 1383 CA SER A 95 20.345 22.191 -26.005 1.00 0.00 C ATOM 1384 C SER A 95 21.304 22.510 -27.143 1.00 0.00 C ATOM 1385 O SER A 95 21.661 21.628 -27.923 1.00 0.00 O ATOM 1386 CB SER A 95 21.064 22.330 -24.662 1.00 0.00 C ATOM 1387 OG SER A 95 20.865 21.182 -23.855 1.00 0.00 O ATOM 0 H SER A 95 20.531 20.112 -26.161 1.00 0.00 H new ATOM 0 HA SER A 95 19.513 22.895 -26.026 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.130 22.479 -24.831 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.697 23.214 -24.140 1.00 0.00 H new ATOM 0 HG SER A 95 20.932 21.431 -22.910 1.00 0.00 H new ATOM 1393 N PHE A 96 21.722 23.766 -27.243 1.00 0.00 N ATOM 1394 CA PHE A 96 22.638 24.167 -28.302 1.00 0.00 C ATOM 1395 C PHE A 96 24.084 24.091 -27.833 1.00 0.00 C ATOM 1396 O PHE A 96 24.359 23.776 -26.676 1.00 0.00 O ATOM 1397 CB PHE A 96 22.311 25.576 -28.795 1.00 0.00 C ATOM 1398 CG PHE A 96 21.170 25.603 -29.770 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.043 24.613 -30.732 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.220 26.610 -29.721 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.992 24.626 -31.626 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.165 26.629 -30.616 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.052 25.634 -31.568 1.00 0.00 C ATOM 0 H PHE A 96 21.445 24.517 -26.611 1.00 0.00 H new ATOM 0 HA PHE A 96 22.513 23.472 -29.132 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.067 26.207 -27.940 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.195 26.005 -29.266 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.776 23.821 -30.782 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.304 27.388 -28.977 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.905 23.848 -32.370 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.431 27.420 -30.571 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.228 25.645 -32.266 1.00 0.00 H new ATOM 1413 N CYS A 97 25.004 24.371 -28.746 1.00 0.00 N ATOM 1414 CA CYS A 97 26.426 24.326 -28.434 1.00 0.00 C ATOM 1415 C CYS A 97 27.164 25.489 -29.085 1.00 0.00 C ATOM 1416 O CYS A 97 27.022 25.739 -30.281 1.00 0.00 O ATOM 1417 CB CYS A 97 27.025 22.999 -28.903 1.00 0.00 C ATOM 1418 SG CYS A 97 27.664 21.956 -27.554 1.00 0.00 S ATOM 0 H CYS A 97 24.791 24.632 -29.709 1.00 0.00 H new ATOM 0 HA CYS A 97 26.540 24.410 -27.353 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.264 22.442 -29.450 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.834 23.205 -29.604 1.00 0.00 H new ATOM 1423 N THR A 98 27.956 26.194 -28.286 1.00 0.00 N ATOM 1424 CA THR A 98 28.720 27.328 -28.776 1.00 0.00 C ATOM 1425 C THR A 98 29.678 26.904 -29.882 1.00 0.00 C ATOM 1426 O THR A 98 29.808 25.716 -30.181 1.00 0.00 O ATOM 1427 CB THR A 98 29.518 27.984 -27.638 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.288 26.994 -26.945 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.588 28.686 -26.660 1.00 0.00 C ATOM 0 H THR A 98 28.084 25.997 -27.293 1.00 0.00 H new ATOM 0 HA THR A 98 28.009 28.050 -29.178 1.00 0.00 H new ATOM 0 HB THR A 98 30.188 28.725 -28.074 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.795 27.420 -26.223 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.175 29.143 -25.863 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.025 29.458 -27.184 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.897 27.961 -26.231 1.00 0.00 H new