USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 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 6 THR OG1 : rot 180:sc= 0.23 USER MOD Set 1.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -11.1! C(o=-11!,f=-12!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -116:sc= 0.588! USER MOD Single : A 13 SER OG : rot 16:sc= 0.354 USER MOD Single : A 16 MET CE :methyl -150:sc= -0.0515 (180deg=-0.541) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.36) USER MOD Single : A 27 MET CE :methyl -143:sc= -2.18 (180deg=-4.75!) USER MOD Single : A 30 THR OG1 : rot -170:sc= -1.76! USER MOD Single : A 34 ASN : amide:sc= -0.461 K(o=-0.46,f=-3.1!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.000284 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.116 F(o=-0.76,f=-0.12) USER MOD Single : A 46 THR OG1 : rot 178:sc= 0.163 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.0672 F(o=-0.68,f=0.067) USER MOD Single : A 51 SER OG : rot -120:sc= -1.39! USER MOD Single : A 52 ASN :FLIP amide:sc= -1.28! C(o=-1.8!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -153:sc= 0.328 USER MOD Single : A 63 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 72 THR OG1 : rot 55:sc= 0.0575 USER MOD Single : A 79 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 83 SER OG : rot -96:sc= -5.2! USER MOD Single : A 84 THR OG1 : rot 150:sc= -4.35! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.138 USER MOD Single : A 87 ASN : amide:sc= -1.99! C(o=-2!,f=-2.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0191 K(o=-0.019,f=-0.67) USER MOD Single : A 92 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.21) USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -2.93! (180deg=-6.71!) USER MOD Single : A 94 TYR OH : rot 20:sc= 1.37 USER MOD Single : A 95 SER OG : rot 96:sc= 0.366 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 49.481 8.863 -38.984 1.00 0.00 N ATOM 32 CA HIS A 3 48.673 7.781 -38.437 1.00 0.00 C ATOM 33 C HIS A 3 48.618 7.865 -36.914 1.00 0.00 C ATOM 34 O HIS A 3 49.546 8.363 -36.277 1.00 0.00 O ATOM 35 CB HIS A 3 49.237 6.427 -38.874 1.00 0.00 C ATOM 36 CG HIS A 3 48.840 5.297 -37.979 1.00 0.00 C ATOM 37 ND1 HIS A 3 49.609 4.875 -36.917 1.00 0.00 N ATOM 38 CD2 HIS A 3 47.740 4.512 -37.982 1.00 0.00 C ATOM 39 CE1 HIS A 3 48.999 3.877 -36.305 1.00 0.00 C ATOM 40 NE2 HIS A 3 47.861 3.636 -36.929 1.00 0.00 N ATOM 0 HA HIS A 3 47.658 7.881 -38.822 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.900 6.212 -39.888 1.00 0.00 H new ATOM 0 HB3 HIS A 3 50.325 6.489 -38.906 1.00 0.00 H new ATOM 0 HD1 HIS A 3 50.509 5.272 -36.646 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.919 4.563 -38.681 1.00 0.00 H new ATOM 0 HE1 HIS A 3 49.369 3.347 -35.440 1.00 0.00 H new ATOM 49 N CYS A 4 47.525 7.374 -36.337 1.00 0.00 N ATOM 50 CA CYS A 4 47.353 7.394 -34.888 1.00 0.00 C ATOM 51 C CYS A 4 46.908 6.026 -34.376 1.00 0.00 C ATOM 52 O CYS A 4 46.131 5.333 -35.031 1.00 0.00 O ATOM 53 CB CYS A 4 46.332 8.463 -34.491 1.00 0.00 C ATOM 54 SG CYS A 4 44.990 8.685 -35.706 1.00 0.00 S ATOM 0 H CYS A 4 46.747 6.958 -36.849 1.00 0.00 H new ATOM 0 HA CYS A 4 48.314 7.635 -34.433 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.897 8.197 -33.528 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.848 9.413 -34.356 1.00 0.00 H new ATOM 59 N VAL A 5 47.410 5.643 -33.208 1.00 0.00 N ATOM 60 CA VAL A 5 47.066 4.356 -32.611 1.00 0.00 C ATOM 61 C VAL A 5 47.360 4.354 -31.114 1.00 0.00 C ATOM 62 O VAL A 5 48.173 5.144 -30.632 1.00 0.00 O ATOM 63 CB VAL A 5 47.843 3.205 -33.277 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.294 3.205 -32.819 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.180 1.870 -32.980 1.00 0.00 C ATOM 0 H VAL A 5 48.057 6.205 -32.655 1.00 0.00 H new ATOM 0 HA VAL A 5 45.999 4.204 -32.771 1.00 0.00 H new ATOM 0 HB VAL A 5 47.828 3.357 -34.356 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.827 2.385 -33.300 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.762 4.151 -33.091 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.334 3.079 -31.737 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.744 1.069 -33.459 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.160 1.705 -31.903 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.160 1.877 -33.365 1.00 0.00 H new ATOM 75 N THR A 6 46.696 3.464 -30.381 1.00 0.00 N ATOM 76 CA THR A 6 46.893 3.367 -28.940 1.00 0.00 C ATOM 77 C THR A 6 47.356 1.972 -28.537 1.00 0.00 C ATOM 78 O THR A 6 47.847 1.206 -29.365 1.00 0.00 O ATOM 79 CB THR A 6 45.602 3.707 -28.171 1.00 0.00 C ATOM 80 OG1 THR A 6 44.921 2.502 -27.797 1.00 0.00 O ATOM 81 CG2 THR A 6 44.683 4.573 -29.018 1.00 0.00 C ATOM 0 H THR A 6 46.019 2.802 -30.761 1.00 0.00 H new ATOM 0 HA THR A 6 47.665 4.091 -28.680 1.00 0.00 H new ATOM 0 HB THR A 6 45.875 4.262 -27.273 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.103 2.727 -27.307 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.778 4.801 -28.456 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.193 5.501 -29.276 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.418 4.039 -29.930 1.00 0.00 H new ATOM 89 N ASP A 7 47.195 1.651 -27.257 1.00 0.00 N ATOM 90 CA ASP A 7 47.596 0.347 -26.739 1.00 0.00 C ATOM 91 C ASP A 7 46.543 -0.711 -27.052 1.00 0.00 C ATOM 92 O ASP A 7 46.748 -1.898 -26.799 1.00 0.00 O ATOM 93 CB ASP A 7 47.827 0.419 -25.228 1.00 0.00 C ATOM 94 CG ASP A 7 48.068 1.836 -24.743 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.226 2.297 -24.808 1.00 0.00 O ATOM 96 OD2 ASP A 7 47.097 2.484 -24.297 1.00 0.00 O ATOM 0 H ASP A 7 46.790 2.275 -26.560 1.00 0.00 H new ATOM 0 HA ASP A 7 48.528 0.064 -27.228 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.961 0.004 -24.711 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.683 -0.202 -24.965 1.00 0.00 H new ATOM 101 N SER A 8 45.414 -0.275 -27.603 1.00 0.00 N ATOM 102 CA SER A 8 44.329 -1.184 -27.949 1.00 0.00 C ATOM 103 C SER A 8 44.502 -1.724 -29.364 1.00 0.00 C ATOM 104 O SER A 8 43.825 -2.671 -29.766 1.00 0.00 O ATOM 105 CB SER A 8 42.984 -0.470 -27.825 1.00 0.00 C ATOM 106 OG SER A 8 42.491 -0.535 -26.498 1.00 0.00 O ATOM 0 H SER A 8 45.228 0.704 -27.819 1.00 0.00 H new ATOM 0 HA SER A 8 44.354 -2.024 -27.254 1.00 0.00 H new ATOM 0 HB2 SER A 8 43.093 0.572 -28.125 1.00 0.00 H new ATOM 0 HB3 SER A 8 42.264 -0.924 -28.506 1.00 0.00 H new ATOM 0 HG SER A 8 41.630 -0.069 -26.446 1.00 0.00 H new ATOM 112 N GLY A 9 45.412 -1.114 -30.117 1.00 0.00 N ATOM 113 CA GLY A 9 45.656 -1.544 -31.479 1.00 0.00 C ATOM 114 C GLY A 9 44.815 -0.785 -32.486 1.00 0.00 C ATOM 115 O GLY A 9 44.975 -0.960 -33.695 1.00 0.00 O ATOM 0 H GLY A 9 45.985 -0.329 -29.807 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.711 -1.409 -31.716 1.00 0.00 H new ATOM 0 HA3 GLY A 9 45.445 -2.610 -31.564 1.00 0.00 H new ATOM 119 N VAL A 10 43.918 0.061 -31.989 1.00 0.00 N ATOM 120 CA VAL A 10 43.050 0.850 -32.856 1.00 0.00 C ATOM 121 C VAL A 10 43.870 1.725 -33.798 1.00 0.00 C ATOM 122 O VAL A 10 44.197 2.868 -33.477 1.00 0.00 O ATOM 123 CB VAL A 10 42.095 1.738 -32.039 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.937 2.210 -32.904 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.588 0.989 -30.817 1.00 0.00 C ATOM 0 H VAL A 10 43.773 0.218 -30.992 1.00 0.00 H new ATOM 0 HA VAL A 10 42.459 0.146 -33.442 1.00 0.00 H new ATOM 0 HB VAL A 10 42.643 2.616 -31.697 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.271 2.837 -32.310 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.322 2.785 -33.746 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.386 1.347 -33.277 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.914 1.631 -30.250 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.054 0.093 -31.135 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.432 0.705 -30.189 1.00 0.00 H new ATOM 135 N VAL A 11 44.203 1.172 -34.958 1.00 0.00 N ATOM 136 CA VAL A 11 44.992 1.884 -35.956 1.00 0.00 C ATOM 137 C VAL A 11 44.223 3.057 -36.553 1.00 0.00 C ATOM 138 O VAL A 11 43.701 2.968 -37.664 1.00 0.00 O ATOM 139 CB VAL A 11 45.429 0.943 -37.094 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.190 1.712 -38.164 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.272 -0.201 -36.548 1.00 0.00 C ATOM 0 H VAL A 11 43.937 0.226 -35.232 1.00 0.00 H new ATOM 0 HA VAL A 11 45.873 2.266 -35.440 1.00 0.00 H new ATOM 0 HB VAL A 11 44.535 0.519 -37.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.490 1.029 -38.959 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.549 2.491 -38.577 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.077 2.168 -37.723 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.571 -0.855 -37.367 1.00 0.00 H new ATOM 0 HG22 VAL A 11 47.161 0.202 -36.062 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.688 -0.770 -35.824 1.00 0.00 H new ATOM 151 N TYR A 12 44.174 4.160 -35.816 1.00 0.00 N ATOM 152 CA TYR A 12 43.488 5.359 -36.280 1.00 0.00 C ATOM 153 C TYR A 12 44.304 6.048 -37.366 1.00 0.00 C ATOM 154 O TYR A 12 45.344 5.545 -37.785 1.00 0.00 O ATOM 155 CB TYR A 12 43.267 6.334 -35.121 1.00 0.00 C ATOM 156 CG TYR A 12 42.339 5.818 -34.047 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.978 5.679 -34.283 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.828 5.474 -32.794 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.129 5.209 -33.299 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.986 5.003 -31.805 1.00 0.00 C ATOM 161 CZ TYR A 12 40.638 4.872 -32.062 1.00 0.00 C ATOM 162 OH TYR A 12 39.797 4.405 -31.079 1.00 0.00 O ATOM 0 H TYR A 12 44.601 4.249 -34.894 1.00 0.00 H new ATOM 0 HA TYR A 12 42.522 5.060 -36.686 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.231 6.570 -34.670 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.864 7.266 -35.517 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.577 5.942 -35.250 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.883 5.576 -32.589 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.072 5.106 -33.498 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.382 4.739 -30.836 1.00 0.00 H new ATOM 0 HH TYR A 12 39.787 5.037 -30.330 1.00 0.00 H new ATOM 172 N SER A 13 43.838 7.209 -37.804 1.00 0.00 N ATOM 173 CA SER A 13 44.536 7.976 -38.827 1.00 0.00 C ATOM 174 C SER A 13 44.276 9.469 -38.649 1.00 0.00 C ATOM 175 O SER A 13 43.155 9.882 -38.351 1.00 0.00 O ATOM 176 CB SER A 13 44.107 7.516 -40.219 1.00 0.00 C ATOM 177 OG SER A 13 44.750 6.306 -40.578 1.00 0.00 O ATOM 0 H SER A 13 42.978 7.641 -37.466 1.00 0.00 H new ATOM 0 HA SER A 13 45.607 7.802 -38.721 1.00 0.00 H new ATOM 0 HB2 SER A 13 43.026 7.378 -40.242 1.00 0.00 H new ATOM 0 HB3 SER A 13 44.345 8.289 -40.950 1.00 0.00 H new ATOM 0 HG SER A 13 45.126 5.885 -39.777 1.00 0.00 H new ATOM 183 N VAL A 14 45.328 10.267 -38.819 1.00 0.00 N ATOM 184 CA VAL A 14 45.245 11.719 -38.665 1.00 0.00 C ATOM 185 C VAL A 14 43.844 12.253 -38.952 1.00 0.00 C ATOM 186 O VAL A 14 43.536 12.647 -40.077 1.00 0.00 O ATOM 187 CB VAL A 14 46.256 12.439 -39.583 1.00 0.00 C ATOM 188 CG1 VAL A 14 46.227 11.844 -40.982 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.974 13.934 -39.624 1.00 0.00 C ATOM 0 H VAL A 14 46.258 9.928 -39.066 1.00 0.00 H new ATOM 0 HA VAL A 14 45.487 11.926 -37.623 1.00 0.00 H new ATOM 0 HB VAL A 14 47.256 12.294 -39.173 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.946 12.365 -41.614 1.00 0.00 H new ATOM 0 HG12 VAL A 14 46.486 10.786 -40.933 1.00 0.00 H new ATOM 0 HG13 VAL A 14 45.228 11.954 -41.403 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.698 14.423 -40.276 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.968 14.104 -40.006 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.055 14.347 -38.619 1.00 0.00 H new ATOM 199 N GLY A 15 43.007 12.279 -37.919 1.00 0.00 N ATOM 200 CA GLY A 15 41.655 12.787 -38.068 1.00 0.00 C ATOM 201 C GLY A 15 40.593 11.722 -37.890 1.00 0.00 C ATOM 202 O GLY A 15 39.585 11.717 -38.599 1.00 0.00 O ATOM 0 H GLY A 15 43.242 11.957 -36.980 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.490 13.581 -37.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.549 13.235 -39.056 1.00 0.00 H new ATOM 206 N MET A 16 40.806 10.822 -36.938 1.00 0.00 N ATOM 207 CA MET A 16 39.848 9.757 -36.669 1.00 0.00 C ATOM 208 C MET A 16 39.365 9.820 -35.226 1.00 0.00 C ATOM 209 O MET A 16 39.386 8.819 -34.509 1.00 0.00 O ATOM 210 CB MET A 16 40.472 8.392 -36.955 1.00 0.00 C ATOM 211 CG MET A 16 40.223 7.896 -38.369 1.00 0.00 C ATOM 212 SD MET A 16 38.978 6.594 -38.438 1.00 0.00 S ATOM 213 CE MET A 16 39.985 5.146 -38.133 1.00 0.00 C ATOM 0 H MET A 16 41.632 10.808 -36.340 1.00 0.00 H new ATOM 0 HA MET A 16 38.991 9.896 -37.328 1.00 0.00 H new ATOM 0 HB2 MET A 16 41.547 8.449 -36.783 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.074 7.664 -36.248 1.00 0.00 H new ATOM 0 HG2 MET A 16 39.904 8.732 -38.992 1.00 0.00 H new ATOM 0 HG3 MET A 16 41.157 7.523 -38.789 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.548 4.286 -38.640 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.993 5.317 -38.512 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.028 4.952 -37.061 1.00 0.00 H new ATOM 223 N GLN A 17 38.935 11.006 -34.808 1.00 0.00 N ATOM 224 CA GLN A 17 38.447 11.218 -33.451 1.00 0.00 C ATOM 225 C GLN A 17 37.761 9.971 -32.906 1.00 0.00 C ATOM 226 O GLN A 17 36.801 9.471 -33.492 1.00 0.00 O ATOM 227 CB GLN A 17 37.476 12.400 -33.417 1.00 0.00 C ATOM 228 CG GLN A 17 38.144 13.741 -33.667 1.00 0.00 C ATOM 229 CD GLN A 17 37.161 14.894 -33.651 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.974 15.580 -34.656 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.527 15.116 -32.505 1.00 0.00 N ATOM 0 H GLN A 17 38.915 11.840 -35.395 1.00 0.00 H new ATOM 0 HA GLN A 17 39.307 11.437 -32.819 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.700 12.244 -34.167 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.981 12.425 -32.446 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.908 13.909 -32.908 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.652 13.715 -34.631 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.712 14.523 -31.696 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.855 15.880 -32.434 1.00 0.00 H new ATOM 240 N TRP A 18 38.260 9.476 -31.779 1.00 0.00 N ATOM 241 CA TRP A 18 37.692 8.289 -31.152 1.00 0.00 C ATOM 242 C TRP A 18 37.410 8.538 -29.674 1.00 0.00 C ATOM 243 O TRP A 18 37.492 9.670 -29.198 1.00 0.00 O ATOM 244 CB TRP A 18 38.629 7.091 -31.318 1.00 0.00 C ATOM 245 CG TRP A 18 39.915 7.218 -30.559 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.144 6.845 -29.267 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.153 7.750 -31.049 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.446 7.109 -28.922 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.087 7.668 -29.998 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.563 8.288 -32.272 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.403 8.103 -30.136 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.868 8.719 -32.407 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.774 8.624 -31.345 1.00 0.00 C ATOM 0 H TRP A 18 39.055 9.877 -31.282 1.00 0.00 H new ATOM 0 HA TRP A 18 36.748 8.064 -31.649 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.112 6.189 -30.990 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.854 6.962 -32.377 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.407 6.406 -28.611 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.868 6.920 -28.013 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.871 8.365 -33.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.105 8.032 -29.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.195 9.136 -33.348 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.788 8.969 -31.483 1.00 0.00 H new ATOM 264 N LEU A 19 37.071 7.475 -28.954 1.00 0.00 N ATOM 265 CA LEU A 19 36.769 7.583 -27.531 1.00 0.00 C ATOM 266 C LEU A 19 37.640 6.632 -26.717 1.00 0.00 C ATOM 267 O LEU A 19 37.473 5.414 -26.779 1.00 0.00 O ATOM 268 CB LEU A 19 35.290 7.280 -27.283 1.00 0.00 C ATOM 269 CG LEU A 19 34.654 8.041 -26.117 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.620 9.533 -26.405 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.251 7.522 -25.845 1.00 0.00 C ATOM 0 H LEU A 19 36.998 6.530 -29.331 1.00 0.00 H new ATOM 0 HA LEU A 19 36.984 8.603 -27.212 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.732 7.507 -28.191 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.180 6.211 -27.101 1.00 0.00 H new ATOM 0 HG LEU A 19 35.263 7.876 -25.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.164 10.056 -25.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.636 9.899 -26.552 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.035 9.716 -27.306 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.814 8.074 -25.013 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.635 7.657 -26.734 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.297 6.463 -25.593 1.00 0.00 H new ATOM 283 N LYS A 20 38.570 7.198 -25.955 1.00 0.00 N ATOM 284 CA LYS A 20 39.467 6.401 -25.127 1.00 0.00 C ATOM 285 C LYS A 20 38.863 6.157 -23.749 1.00 0.00 C ATOM 286 O LYS A 20 38.155 7.008 -23.210 1.00 0.00 O ATOM 287 CB LYS A 20 40.820 7.103 -24.990 1.00 0.00 C ATOM 288 CG LYS A 20 41.886 6.245 -24.329 1.00 0.00 C ATOM 289 CD LYS A 20 42.193 5.006 -25.154 1.00 0.00 C ATOM 290 CE LYS A 20 41.855 3.735 -24.391 1.00 0.00 C ATOM 291 NZ LYS A 20 43.028 2.825 -24.283 1.00 0.00 N ATOM 0 H LYS A 20 38.722 8.205 -25.894 1.00 0.00 H new ATOM 0 HA LYS A 20 39.613 5.436 -25.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.167 7.401 -25.979 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.689 8.016 -24.410 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.796 6.830 -24.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.551 5.948 -23.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.625 5.036 -26.084 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.249 5.000 -25.425 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.503 3.994 -23.392 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.038 3.216 -24.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.757 1.970 -23.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.349 2.558 -25.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.799 3.311 -23.782 1.00 0.00 H new ATOM 379 N GLN A 26 35.959 8.010 -18.668 1.00 0.00 N ATOM 380 CA GLN A 26 35.923 8.166 -20.118 1.00 0.00 C ATOM 381 C GLN A 26 36.923 9.224 -20.570 1.00 0.00 C ATOM 382 O GLN A 26 37.361 10.057 -19.776 1.00 0.00 O ATOM 383 CB GLN A 26 34.514 8.545 -20.577 1.00 0.00 C ATOM 384 CG GLN A 26 33.816 7.449 -21.366 1.00 0.00 C ATOM 385 CD GLN A 26 32.310 7.478 -21.194 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.803 7.588 -20.077 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.586 7.376 -22.302 1.00 0.00 N ATOM 0 HA GLN A 26 36.197 7.213 -20.571 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.911 8.793 -19.704 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.570 9.444 -21.191 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.060 7.556 -22.423 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.196 6.478 -21.047 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.048 7.287 -23.207 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.567 7.387 -22.248 1.00 0.00 H new ATOM 396 N MET A 27 37.283 9.186 -21.848 1.00 0.00 N ATOM 397 CA MET A 27 38.236 10.143 -22.397 1.00 0.00 C ATOM 398 C MET A 27 38.133 10.212 -23.917 1.00 0.00 C ATOM 399 O MET A 27 38.245 9.198 -24.605 1.00 0.00 O ATOM 400 CB MET A 27 39.660 9.764 -21.988 1.00 0.00 C ATOM 401 CG MET A 27 40.493 10.944 -21.515 1.00 0.00 C ATOM 402 SD MET A 27 42.124 10.991 -22.280 1.00 0.00 S ATOM 403 CE MET A 27 42.472 9.242 -22.442 1.00 0.00 C ATOM 0 H MET A 27 36.931 8.505 -22.521 1.00 0.00 H new ATOM 0 HA MET A 27 37.996 11.127 -21.993 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.615 9.020 -21.192 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.159 9.294 -22.835 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.964 11.870 -21.739 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.605 10.894 -20.432 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.531 9.063 -22.255 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.877 8.684 -21.719 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.221 8.913 -23.450 1.00 0.00 H new ATOM 413 N LEU A 28 37.927 11.420 -24.434 1.00 0.00 N ATOM 414 CA LEU A 28 37.816 11.632 -25.872 1.00 0.00 C ATOM 415 C LEU A 28 39.189 11.893 -26.481 1.00 0.00 C ATOM 416 O LEU A 28 39.847 12.877 -26.144 1.00 0.00 O ATOM 417 CB LEU A 28 36.886 12.811 -26.163 1.00 0.00 C ATOM 418 CG LEU A 28 36.386 12.899 -27.604 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.904 12.576 -27.671 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.657 14.281 -28.177 1.00 0.00 C ATOM 0 H LEU A 28 37.833 12.269 -23.876 1.00 0.00 H new ATOM 0 HA LEU A 28 37.399 10.731 -26.321 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.024 12.747 -25.499 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.409 13.736 -25.919 1.00 0.00 H new ATOM 0 HG LEU A 28 36.926 12.166 -28.203 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.563 12.643 -28.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.735 11.566 -27.298 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.349 13.287 -27.059 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.295 14.327 -29.204 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.142 15.031 -27.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.729 14.478 -28.161 1.00 0.00 H new ATOM 432 N CYS A 29 39.620 11.006 -27.371 1.00 0.00 N ATOM 433 CA CYS A 29 40.922 11.143 -28.016 1.00 0.00 C ATOM 434 C CYS A 29 40.784 11.623 -29.456 1.00 0.00 C ATOM 435 O CYS A 29 39.804 11.316 -30.134 1.00 0.00 O ATOM 436 CB CYS A 29 41.668 9.807 -27.989 1.00 0.00 C ATOM 437 SG CYS A 29 42.777 9.590 -26.559 1.00 0.00 S ATOM 0 H CYS A 29 39.088 10.186 -27.662 1.00 0.00 H new ATOM 0 HA CYS A 29 41.489 11.890 -27.460 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.938 8.997 -27.993 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.253 9.713 -28.904 1.00 0.00 H new ATOM 442 N THR A 30 41.781 12.371 -29.917 1.00 0.00 N ATOM 443 CA THR A 30 41.786 12.889 -31.282 1.00 0.00 C ATOM 444 C THR A 30 43.207 13.097 -31.784 1.00 0.00 C ATOM 445 O THR A 30 43.952 13.915 -31.244 1.00 0.00 O ATOM 446 CB THR A 30 41.034 14.224 -31.396 1.00 0.00 C ATOM 447 OG1 THR A 30 39.674 14.064 -30.973 1.00 0.00 O ATOM 448 CG2 THR A 30 41.071 14.739 -32.829 1.00 0.00 C ATOM 0 H THR A 30 42.598 12.633 -29.365 1.00 0.00 H new ATOM 0 HA THR A 30 41.279 12.141 -31.892 1.00 0.00 H new ATOM 0 HB THR A 30 41.526 14.951 -30.750 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.165 14.871 -31.196 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.533 15.685 -32.890 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.106 14.890 -33.135 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.600 14.011 -33.490 1.00 0.00 H new ATOM 456 N CYS A 31 43.576 12.362 -32.823 1.00 0.00 N ATOM 457 CA CYS A 31 44.907 12.484 -33.396 1.00 0.00 C ATOM 458 C CYS A 31 44.941 13.603 -34.429 1.00 0.00 C ATOM 459 O CYS A 31 44.392 13.474 -35.523 1.00 0.00 O ATOM 460 CB CYS A 31 45.343 11.162 -34.022 1.00 0.00 C ATOM 461 SG CYS A 31 44.170 10.476 -35.228 1.00 0.00 S ATOM 0 H CYS A 31 42.975 11.678 -33.284 1.00 0.00 H new ATOM 0 HA CYS A 31 45.606 12.732 -32.597 1.00 0.00 H new ATOM 0 HB2 CYS A 31 46.306 11.307 -34.512 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.497 10.432 -33.228 1.00 0.00 H new ATOM 466 N LEU A 32 45.581 14.706 -34.062 1.00 0.00 N ATOM 467 CA LEU A 32 45.682 15.865 -34.943 1.00 0.00 C ATOM 468 C LEU A 32 46.774 15.670 -35.992 1.00 0.00 C ATOM 469 O LEU A 32 46.530 15.088 -37.048 1.00 0.00 O ATOM 470 CB LEU A 32 45.956 17.134 -34.128 1.00 0.00 C ATOM 471 CG LEU A 32 46.680 16.914 -32.799 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.615 18.074 -32.499 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.675 16.728 -31.670 1.00 0.00 C ATOM 0 H LEU A 32 46.039 14.823 -33.158 1.00 0.00 H new ATOM 0 HA LEU A 32 44.729 15.974 -35.461 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.549 17.816 -34.737 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.006 17.629 -33.928 1.00 0.00 H new ATOM 0 HG LEU A 32 47.279 16.007 -32.880 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.120 17.898 -31.549 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.356 18.159 -33.294 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.040 18.998 -32.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.207 16.573 -30.731 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.049 17.617 -31.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.048 15.861 -31.880 1.00 0.00 H new ATOM 485 N GLY A 33 47.974 16.164 -35.702 1.00 0.00 N ATOM 486 CA GLY A 33 49.071 16.033 -36.643 1.00 0.00 C ATOM 487 C GLY A 33 50.393 15.713 -35.974 1.00 0.00 C ATOM 488 O GLY A 33 51.132 14.843 -36.431 1.00 0.00 O ATOM 0 H GLY A 33 48.205 16.651 -34.836 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.834 15.248 -37.361 1.00 0.00 H new ATOM 0 HA3 GLY A 33 49.171 16.960 -37.207 1.00 0.00 H new ATOM 492 N ASN A 34 50.693 16.420 -34.892 1.00 0.00 N ATOM 493 CA ASN A 34 51.938 16.205 -34.163 1.00 0.00 C ATOM 494 C ASN A 34 51.877 14.906 -33.369 1.00 0.00 C ATOM 495 O ASN A 34 52.879 14.205 -33.223 1.00 0.00 O ATOM 496 CB ASN A 34 52.227 17.392 -33.234 1.00 0.00 C ATOM 497 CG ASN A 34 51.652 17.210 -31.841 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.456 17.396 -31.620 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.506 16.843 -30.892 1.00 0.00 N ATOM 0 H ASN A 34 50.093 17.146 -34.500 1.00 0.00 H new ATOM 0 HA ASN A 34 52.751 16.126 -34.885 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.305 17.534 -33.160 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.815 18.300 -33.675 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.178 16.705 -29.936 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.490 16.700 -31.119 1.00 0.00 H new ATOM 506 N GLY A 35 50.692 14.591 -32.861 1.00 0.00 N ATOM 507 CA GLY A 35 50.513 13.377 -32.090 1.00 0.00 C ATOM 508 C GLY A 35 49.051 13.040 -31.884 1.00 0.00 C ATOM 509 O GLY A 35 48.293 12.922 -32.847 1.00 0.00 O ATOM 0 H GLY A 35 49.850 15.157 -32.970 1.00 0.00 H new ATOM 0 HA2 GLY A 35 51.007 12.549 -32.599 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.998 13.490 -31.120 1.00 0.00 H new ATOM 513 N VAL A 36 48.650 12.888 -30.627 1.00 0.00 N ATOM 514 CA VAL A 36 47.265 12.569 -30.306 1.00 0.00 C ATOM 515 C VAL A 36 46.833 13.233 -29.004 1.00 0.00 C ATOM 516 O VAL A 36 47.402 12.978 -27.943 1.00 0.00 O ATOM 517 CB VAL A 36 47.044 11.047 -30.198 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.674 10.747 -29.608 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.204 10.390 -31.559 1.00 0.00 C ATOM 0 H VAL A 36 49.262 12.980 -29.816 1.00 0.00 H new ATOM 0 HA VAL A 36 46.657 12.955 -31.124 1.00 0.00 H new ATOM 0 HB VAL A 36 47.798 10.633 -29.529 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.536 9.668 -29.539 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.602 11.186 -28.613 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.901 11.172 -30.248 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.045 9.316 -31.465 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.473 10.806 -32.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 48.209 10.576 -31.937 1.00 0.00 H new ATOM 529 N SER A 37 45.819 14.088 -29.098 1.00 0.00 N ATOM 530 CA SER A 37 45.301 14.795 -27.932 1.00 0.00 C ATOM 531 C SER A 37 43.942 14.240 -27.523 1.00 0.00 C ATOM 532 O SER A 37 43.180 13.757 -28.360 1.00 0.00 O ATOM 533 CB SER A 37 45.186 16.291 -28.227 1.00 0.00 C ATOM 534 OG SER A 37 44.277 16.919 -27.339 1.00 0.00 O ATOM 0 H SER A 37 45.339 14.308 -29.971 1.00 0.00 H new ATOM 0 HA SER A 37 45.998 14.648 -27.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.167 16.758 -28.139 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.854 16.437 -29.255 1.00 0.00 H new ATOM 0 HG SER A 37 44.223 17.875 -27.548 1.00 0.00 H new ATOM 540 N CYS A 38 43.644 14.313 -26.230 1.00 0.00 N ATOM 541 CA CYS A 38 42.375 13.816 -25.713 1.00 0.00 C ATOM 542 C CYS A 38 41.922 14.629 -24.504 1.00 0.00 C ATOM 543 O CYS A 38 42.720 15.331 -23.882 1.00 0.00 O ATOM 544 CB CYS A 38 42.502 12.341 -25.329 1.00 0.00 C ATOM 545 SG CYS A 38 43.675 11.398 -26.356 1.00 0.00 S ATOM 0 H CYS A 38 44.262 14.710 -25.523 1.00 0.00 H new ATOM 0 HA CYS A 38 41.626 13.919 -26.498 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.814 12.274 -24.287 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.520 11.874 -25.398 1.00 0.00 H new ATOM 550 N GLN A 39 40.639 14.527 -24.176 1.00 0.00 N ATOM 551 CA GLN A 39 40.080 15.253 -23.040 1.00 0.00 C ATOM 552 C GLN A 39 39.528 14.285 -21.997 1.00 0.00 C ATOM 553 O GLN A 39 38.698 13.431 -22.309 1.00 0.00 O ATOM 554 CB GLN A 39 38.975 16.207 -23.503 1.00 0.00 C ATOM 555 CG GLN A 39 38.669 16.118 -24.990 1.00 0.00 C ATOM 556 CD GLN A 39 38.079 17.400 -25.545 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.867 17.512 -25.723 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.937 18.375 -25.823 1.00 0.00 N ATOM 0 H GLN A 39 39.966 13.949 -24.680 1.00 0.00 H new ATOM 0 HA GLN A 39 40.881 15.835 -22.585 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.065 15.994 -22.941 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.266 17.229 -23.262 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.585 15.880 -25.531 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.973 15.297 -25.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.935 18.239 -25.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.598 19.260 -26.200 1.00 0.00 H new ATOM 636 N GLN A 45 29.251 22.807 -22.235 1.00 0.00 N ATOM 637 CA GLN A 45 28.252 23.697 -21.651 1.00 0.00 C ATOM 638 C GLN A 45 26.906 23.550 -22.355 1.00 0.00 C ATOM 639 O GLN A 45 26.811 22.936 -23.418 1.00 0.00 O ATOM 640 CB GLN A 45 28.725 25.150 -21.731 1.00 0.00 C ATOM 641 CG GLN A 45 30.223 25.315 -21.536 1.00 0.00 C ATOM 642 CD GLN A 45 30.568 26.443 -20.582 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.730 27.473 -20.555 1.00 0.00 O flip ATOM 644 NE2 GLN A 45 31.575 26.389 -19.876 1.00 0.00 N flip ATOM 0 HA GLN A 45 28.124 23.418 -20.605 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.446 25.561 -22.701 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.202 25.735 -20.975 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.641 24.383 -21.156 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.692 25.505 -22.501 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.192 25.578 -19.929 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.793 27.155 -19.238 1.00 0.00 H new ATOM 653 N THR A 46 25.867 24.121 -21.754 1.00 0.00 N ATOM 654 CA THR A 46 24.522 24.060 -22.318 1.00 0.00 C ATOM 655 C THR A 46 23.655 25.196 -21.785 1.00 0.00 C ATOM 656 O THR A 46 23.680 25.502 -20.593 1.00 0.00 O ATOM 657 CB THR A 46 23.842 22.715 -21.998 1.00 0.00 C ATOM 658 OG1 THR A 46 23.861 22.481 -20.586 1.00 0.00 O ATOM 659 CG2 THR A 46 24.539 21.570 -22.717 1.00 0.00 C ATOM 0 H THR A 46 25.931 24.633 -20.874 1.00 0.00 H new ATOM 0 HA THR A 46 24.623 24.159 -23.399 1.00 0.00 H new ATOM 0 HB THR A 46 22.810 22.764 -22.344 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.397 21.641 -20.387 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.041 20.631 -22.475 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.496 21.737 -23.793 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.580 21.520 -22.398 1.00 0.00 H new ATOM 667 N TYR A 47 22.891 25.823 -22.676 1.00 0.00 N ATOM 668 CA TYR A 47 22.021 26.928 -22.291 1.00 0.00 C ATOM 669 C TYR A 47 20.699 26.880 -23.053 1.00 0.00 C ATOM 670 O TYR A 47 20.600 26.247 -24.105 1.00 0.00 O ATOM 671 CB TYR A 47 22.716 28.264 -22.551 1.00 0.00 C ATOM 672 CG TYR A 47 23.135 28.449 -23.992 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.194 28.707 -24.981 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.470 28.362 -24.363 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.571 28.871 -26.299 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.855 28.525 -25.680 1.00 0.00 C ATOM 677 CZ TYR A 47 23.904 28.779 -26.643 1.00 0.00 C ATOM 678 OH TYR A 47 24.284 28.941 -27.956 1.00 0.00 O ATOM 0 H TYR A 47 22.858 25.585 -23.667 1.00 0.00 H new ATOM 0 HA TYR A 47 21.809 26.831 -21.226 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.046 29.076 -22.268 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.596 28.339 -21.912 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.150 28.781 -24.714 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.219 28.164 -23.611 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.827 29.070 -27.056 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.897 28.453 -25.953 1.00 0.00 H new ATOM 0 HH TYR A 47 25.257 28.847 -28.029 1.00 0.00 H new ATOM 688 N GLY A 48 19.690 27.558 -22.515 1.00 0.00 N ATOM 689 CA GLY A 48 18.387 27.589 -23.152 1.00 0.00 C ATOM 690 C GLY A 48 18.045 26.289 -23.849 1.00 0.00 C ATOM 691 O GLY A 48 17.977 25.236 -23.216 1.00 0.00 O ATOM 0 H GLY A 48 19.753 28.088 -21.646 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.626 27.805 -22.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.361 28.403 -23.877 1.00 0.00 H new ATOM 695 N GLY A 49 17.824 26.365 -25.157 1.00 0.00 N ATOM 696 CA GLY A 49 17.484 25.179 -25.920 1.00 0.00 C ATOM 697 C GLY A 49 16.099 24.664 -25.590 1.00 0.00 C ATOM 698 O GLY A 49 15.108 25.372 -25.765 1.00 0.00 O ATOM 0 H GLY A 49 17.874 27.226 -25.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.541 25.405 -26.985 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.217 24.398 -25.720 1.00 0.00 H new ATOM 702 N ASN A 50 16.029 23.429 -25.106 1.00 0.00 N ATOM 703 CA ASN A 50 14.752 22.823 -24.746 1.00 0.00 C ATOM 704 C ASN A 50 14.720 22.469 -23.264 1.00 0.00 C ATOM 705 O ASN A 50 13.651 22.357 -22.665 1.00 0.00 O ATOM 706 CB ASN A 50 14.498 21.572 -25.591 1.00 0.00 C ATOM 707 CG ASN A 50 13.063 21.484 -26.072 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.535 22.597 -26.566 1.00 0.00 O flip ATOM 709 ND2 ASN A 50 12.436 20.428 -25.999 1.00 0.00 N flip ATOM 0 H ASN A 50 16.840 22.829 -24.954 1.00 0.00 H new ATOM 0 HA ASN A 50 13.964 23.549 -24.945 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.168 21.575 -26.451 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.737 20.685 -25.004 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.882 19.596 -25.612 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.471 20.384 -26.326 1.00 0.00 H new ATOM 716 N SER A 51 15.899 22.296 -22.675 1.00 0.00 N ATOM 717 CA SER A 51 16.005 21.956 -21.260 1.00 0.00 C ATOM 718 C SER A 51 16.557 23.130 -20.455 1.00 0.00 C ATOM 719 O SER A 51 16.806 23.009 -19.255 1.00 0.00 O ATOM 720 CB SER A 51 16.899 20.729 -21.073 1.00 0.00 C ATOM 721 OG SER A 51 16.173 19.532 -21.288 1.00 0.00 O ATOM 0 H SER A 51 16.794 22.386 -23.155 1.00 0.00 H new ATOM 0 HA SER A 51 15.004 21.727 -20.893 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.739 20.778 -21.766 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.316 20.729 -20.066 1.00 0.00 H new ATOM 0 HG SER A 51 16.194 18.986 -20.475 1.00 0.00 H new ATOM 727 N ASN A 52 16.746 24.266 -21.119 1.00 0.00 N ATOM 728 CA ASN A 52 17.267 25.460 -20.464 1.00 0.00 C ATOM 729 C ASN A 52 18.715 25.260 -20.028 1.00 0.00 C ATOM 730 O ASN A 52 19.287 26.104 -19.337 1.00 0.00 O ATOM 731 CB ASN A 52 16.402 25.821 -19.257 1.00 0.00 C ATOM 732 CG ASN A 52 16.999 26.946 -18.433 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.747 26.587 -17.396 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 16.791 28.122 -18.726 1.00 0.00 N flip ATOM 0 H ASN A 52 16.546 24.384 -22.112 1.00 0.00 H new ATOM 0 HA ASN A 52 17.237 26.279 -21.183 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.409 26.113 -19.599 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.276 24.940 -18.627 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.210 28.352 -19.532 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.200 28.868 -18.163 1.00 0.00 H new ATOM 741 N GLY A 53 19.307 24.143 -20.438 1.00 0.00 N ATOM 742 CA GLY A 53 20.684 23.862 -20.080 1.00 0.00 C ATOM 743 C GLY A 53 20.817 22.684 -19.135 1.00 0.00 C ATOM 744 O GLY A 53 21.380 22.812 -18.048 1.00 0.00 O ATOM 0 H GLY A 53 18.858 23.429 -21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.256 23.662 -20.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.121 24.746 -19.615 1.00 0.00 H new ATOM 748 N GLU A 54 20.302 21.531 -19.549 1.00 0.00 N ATOM 749 CA GLU A 54 20.374 20.327 -18.730 1.00 0.00 C ATOM 750 C GLU A 54 21.643 19.539 -19.040 1.00 0.00 C ATOM 751 O GLU A 54 22.306 19.784 -20.047 1.00 0.00 O ATOM 752 CB GLU A 54 19.144 19.453 -18.958 1.00 0.00 C ATOM 753 CG GLU A 54 18.008 19.761 -18.000 1.00 0.00 C ATOM 754 CD GLU A 54 18.156 19.050 -16.669 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.702 17.892 -16.560 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.727 19.652 -15.735 1.00 0.00 O ATOM 0 H GLU A 54 19.831 21.405 -20.445 1.00 0.00 H new ATOM 0 HA GLU A 54 20.401 20.629 -17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.795 19.588 -19.982 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.426 18.405 -18.853 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.963 20.837 -17.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.063 19.471 -18.459 1.00 0.00 H new ATOM 763 N PRO A 55 21.996 18.578 -18.175 1.00 0.00 N ATOM 764 CA PRO A 55 23.192 17.751 -18.358 1.00 0.00 C ATOM 765 C PRO A 55 23.057 16.795 -19.538 1.00 0.00 C ATOM 766 O PRO A 55 22.277 15.843 -19.490 1.00 0.00 O ATOM 767 CB PRO A 55 23.294 16.972 -17.046 1.00 0.00 C ATOM 768 CG PRO A 55 21.903 16.936 -16.515 1.00 0.00 C ATOM 769 CD PRO A 55 21.258 18.223 -16.951 1.00 0.00 C ATOM 0 HA PRO A 55 24.074 18.353 -18.578 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.680 15.966 -17.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.972 17.462 -16.347 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.359 16.076 -16.905 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.902 16.848 -15.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.194 18.093 -17.147 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.349 18.996 -16.188 1.00 0.00 H new ATOM 777 N CYS A 56 23.820 17.053 -20.593 1.00 0.00 N ATOM 778 CA CYS A 56 23.785 16.213 -21.785 1.00 0.00 C ATOM 779 C CYS A 56 23.864 14.737 -21.407 1.00 0.00 C ATOM 780 O CYS A 56 23.947 14.393 -20.228 1.00 0.00 O ATOM 781 CB CYS A 56 24.935 16.577 -22.725 1.00 0.00 C ATOM 782 SG CYS A 56 24.983 18.338 -23.189 1.00 0.00 S ATOM 0 H CYS A 56 24.470 17.837 -20.648 1.00 0.00 H new ATOM 0 HA CYS A 56 22.840 16.388 -22.299 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.878 16.312 -22.248 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.855 15.975 -23.630 1.00 0.00 H new ATOM 787 N VAL A 57 23.831 13.868 -22.411 1.00 0.00 N ATOM 788 CA VAL A 57 23.892 12.432 -22.172 1.00 0.00 C ATOM 789 C VAL A 57 24.663 11.710 -23.272 1.00 0.00 C ATOM 790 O VAL A 57 24.198 10.705 -23.810 1.00 0.00 O ATOM 791 CB VAL A 57 22.478 11.827 -22.068 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.850 11.673 -23.444 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.521 10.492 -21.341 1.00 0.00 C ATOM 0 H VAL A 57 23.763 14.132 -23.394 1.00 0.00 H new ATOM 0 HA VAL A 57 24.416 12.294 -21.226 1.00 0.00 H new ATOM 0 HB VAL A 57 21.857 12.512 -21.491 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.853 11.244 -23.343 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.778 12.650 -23.923 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.468 11.015 -24.054 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.514 10.080 -21.277 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.162 9.800 -21.888 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.918 10.637 -20.336 1.00 0.00 H new ATOM 803 N LEU A 58 25.843 12.222 -23.604 1.00 0.00 N ATOM 804 CA LEU A 58 26.663 11.609 -24.642 1.00 0.00 C ATOM 805 C LEU A 58 27.647 10.603 -24.048 1.00 0.00 C ATOM 806 O LEU A 58 27.973 10.661 -22.862 1.00 0.00 O ATOM 807 CB LEU A 58 27.420 12.668 -25.454 1.00 0.00 C ATOM 808 CG LEU A 58 27.878 13.909 -24.682 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.711 14.852 -24.442 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.536 13.516 -23.365 1.00 0.00 C ATOM 0 H LEU A 58 26.250 13.052 -23.174 1.00 0.00 H new ATOM 0 HA LEU A 58 25.988 11.078 -25.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.297 12.197 -25.898 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.781 12.992 -26.276 1.00 0.00 H new ATOM 0 HG LEU A 58 28.619 14.431 -25.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.057 15.727 -23.892 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.294 15.166 -25.399 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.943 14.340 -23.862 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.853 14.414 -22.834 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.823 12.965 -22.752 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.404 12.887 -23.565 1.00 0.00 H new ATOM 822 N PRO A 59 28.128 9.661 -24.873 1.00 0.00 N ATOM 823 CA PRO A 59 27.752 9.574 -26.286 1.00 0.00 C ATOM 824 C PRO A 59 26.313 9.118 -26.477 1.00 0.00 C ATOM 825 O PRO A 59 25.848 8.197 -25.805 1.00 0.00 O ATOM 826 CB PRO A 59 28.704 8.520 -26.862 1.00 0.00 C ATOM 827 CG PRO A 59 29.740 8.291 -25.808 1.00 0.00 C ATOM 828 CD PRO A 59 29.079 8.610 -24.500 1.00 0.00 C ATOM 0 HA PRO A 59 27.823 10.547 -26.772 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.172 7.598 -27.095 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.159 8.868 -27.789 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.093 7.260 -25.825 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.609 8.928 -25.971 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.577 7.740 -24.076 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.797 8.957 -23.757 1.00 0.00 H new ATOM 836 N PHE A 60 25.617 9.762 -27.402 1.00 0.00 N ATOM 837 CA PHE A 60 24.232 9.414 -27.693 1.00 0.00 C ATOM 838 C PHE A 60 24.080 9.031 -29.159 1.00 0.00 C ATOM 839 O PHE A 60 25.052 9.042 -29.913 1.00 0.00 O ATOM 840 CB PHE A 60 23.304 10.582 -27.355 1.00 0.00 C ATOM 841 CG PHE A 60 23.782 11.895 -27.898 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.548 12.234 -29.220 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.466 12.787 -27.090 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.989 13.441 -29.726 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.910 13.994 -27.590 1.00 0.00 C ATOM 846 CZ PHE A 60 24.672 14.321 -28.911 1.00 0.00 C ATOM 0 H PHE A 60 25.987 10.528 -27.964 1.00 0.00 H new ATOM 0 HA PHE A 60 23.954 8.559 -27.076 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.310 10.373 -27.750 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.207 10.658 -26.272 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.015 11.548 -29.862 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.654 12.535 -26.057 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.800 13.696 -30.758 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.443 14.682 -26.950 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.020 15.264 -29.306 1.00 0.00 H new ATOM 856 N THR A 61 22.862 8.690 -29.562 1.00 0.00 N ATOM 857 CA THR A 61 22.604 8.304 -30.942 1.00 0.00 C ATOM 858 C THR A 61 21.468 9.123 -31.545 1.00 0.00 C ATOM 859 O THR A 61 20.363 9.164 -31.006 1.00 0.00 O ATOM 860 CB THR A 61 22.257 6.808 -31.054 1.00 0.00 C ATOM 861 OG1 THR A 61 22.575 6.139 -29.828 1.00 0.00 O ATOM 862 CG2 THR A 61 23.018 6.159 -32.202 1.00 0.00 C ATOM 0 H THR A 61 22.042 8.673 -28.956 1.00 0.00 H new ATOM 0 HA THR A 61 23.522 8.500 -31.497 1.00 0.00 H new ATOM 0 HB THR A 61 21.189 6.720 -31.251 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.350 5.188 -29.906 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.756 5.103 -32.261 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.754 6.651 -33.138 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.090 6.258 -32.030 1.00 0.00 H new ATOM 870 N TYR A 62 21.751 9.770 -32.671 1.00 0.00 N ATOM 871 CA TYR A 62 20.754 10.587 -33.356 1.00 0.00 C ATOM 872 C TYR A 62 20.892 10.447 -34.868 1.00 0.00 C ATOM 873 O TYR A 62 21.986 10.576 -35.416 1.00 0.00 O ATOM 874 CB TYR A 62 20.893 12.055 -32.955 1.00 0.00 C ATOM 875 CG TYR A 62 20.179 13.005 -33.891 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.823 12.861 -34.155 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.863 14.041 -34.516 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.168 13.723 -35.013 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.214 14.908 -35.374 1.00 0.00 C ATOM 880 CZ TYR A 62 18.867 14.745 -35.620 1.00 0.00 C ATOM 881 OH TYR A 62 18.218 15.605 -36.476 1.00 0.00 O ATOM 0 H TYR A 62 22.662 9.745 -33.129 1.00 0.00 H new ATOM 0 HA TYR A 62 19.766 10.234 -33.059 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.500 12.187 -31.947 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.951 12.316 -32.922 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.272 12.062 -33.682 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.919 14.170 -34.328 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.113 13.597 -35.208 1.00 0.00 H new ATOM 0 HE2 TYR A 62 20.759 15.710 -35.850 1.00 0.00 H new ATOM 0 HH TYR A 62 18.858 15.964 -37.126 1.00 0.00 H new ATOM 891 N ASN A 63 19.776 10.179 -35.536 1.00 0.00 N ATOM 892 CA ASN A 63 19.775 10.018 -36.985 1.00 0.00 C ATOM 893 C ASN A 63 20.507 8.743 -37.391 1.00 0.00 C ATOM 894 O ASN A 63 20.717 8.489 -38.577 1.00 0.00 O ATOM 895 CB ASN A 63 20.424 11.230 -37.654 1.00 0.00 C ATOM 896 CG ASN A 63 19.421 12.082 -38.406 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.395 11.588 -38.872 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.715 13.371 -38.529 1.00 0.00 N ATOM 0 H ASN A 63 18.861 10.069 -35.098 1.00 0.00 H new ATOM 0 HA ASN A 63 18.740 9.941 -37.317 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.918 11.839 -36.896 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.197 10.890 -38.343 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.078 13.994 -39.026 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.577 13.738 -38.127 1.00 0.00 H new ATOM 905 N GLY A 64 20.891 7.943 -36.401 1.00 0.00 N ATOM 906 CA GLY A 64 21.591 6.702 -36.678 1.00 0.00 C ATOM 907 C GLY A 64 23.071 6.781 -36.363 1.00 0.00 C ATOM 908 O GLY A 64 23.777 5.775 -36.415 1.00 0.00 O ATOM 0 H GLY A 64 20.730 8.132 -35.412 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.142 5.899 -36.094 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.461 6.443 -37.729 1.00 0.00 H new ATOM 912 N ARG A 65 23.545 7.979 -36.039 1.00 0.00 N ATOM 913 CA ARG A 65 24.952 8.178 -35.720 1.00 0.00 C ATOM 914 C ARG A 65 25.158 8.334 -34.217 1.00 0.00 C ATOM 915 O ARG A 65 24.253 8.070 -33.426 1.00 0.00 O ATOM 916 CB ARG A 65 25.493 9.406 -36.452 1.00 0.00 C ATOM 917 CG ARG A 65 24.800 10.700 -36.062 1.00 0.00 C ATOM 918 CD ARG A 65 23.974 11.256 -37.209 1.00 0.00 C ATOM 919 NE ARG A 65 24.792 12.023 -38.140 1.00 0.00 N ATOM 920 CZ ARG A 65 24.481 12.198 -39.419 1.00 0.00 C ATOM 921 NH1 ARG A 65 23.370 11.669 -39.913 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.282 12.903 -40.207 1.00 0.00 N ATOM 0 H ARG A 65 22.976 8.824 -35.991 1.00 0.00 H new ATOM 0 HA ARG A 65 25.500 7.295 -36.050 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.560 9.499 -36.249 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.385 9.255 -37.526 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.156 10.524 -35.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.545 11.436 -35.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.490 10.436 -37.740 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.182 11.891 -36.813 1.00 0.00 H new ATOM 0 HE ARG A 65 25.650 12.449 -37.790 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.752 11.126 -39.310 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.134 11.805 -40.896 1.00 0.00 H new ATOM 0 HH21 ARG A 65 26.138 13.311 -39.831 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.042 13.037 -41.189 1.00 0.00 H new ATOM 936 N THR A 66 26.353 8.768 -33.833 1.00 0.00 N ATOM 937 CA THR A 66 26.681 8.966 -32.427 1.00 0.00 C ATOM 938 C THR A 66 27.539 10.210 -32.241 1.00 0.00 C ATOM 939 O THR A 66 28.359 10.543 -33.097 1.00 0.00 O ATOM 940 CB THR A 66 27.421 7.749 -31.838 1.00 0.00 C ATOM 941 OG1 THR A 66 26.654 6.557 -32.051 1.00 0.00 O ATOM 942 CG2 THR A 66 27.666 7.938 -30.347 1.00 0.00 C ATOM 0 H THR A 66 27.112 8.990 -34.477 1.00 0.00 H new ATOM 0 HA THR A 66 25.737 9.091 -31.896 1.00 0.00 H new ATOM 0 HB THR A 66 28.383 7.657 -32.343 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.132 5.789 -31.675 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.189 7.068 -29.951 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.273 8.830 -30.188 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.712 8.052 -29.833 1.00 0.00 H new ATOM 950 N PHE A 67 27.345 10.898 -31.123 1.00 0.00 N ATOM 951 CA PHE A 67 28.100 12.111 -30.837 1.00 0.00 C ATOM 952 C PHE A 67 28.632 12.101 -29.408 1.00 0.00 C ATOM 953 O PHE A 67 27.906 11.772 -28.467 1.00 0.00 O ATOM 954 CB PHE A 67 27.221 13.342 -31.067 1.00 0.00 C ATOM 955 CG PHE A 67 26.258 13.181 -32.209 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.273 12.207 -32.170 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.339 14.003 -33.322 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.387 12.056 -33.219 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.456 13.856 -34.374 1.00 0.00 C ATOM 960 CZ PHE A 67 24.479 12.881 -34.323 1.00 0.00 C ATOM 0 H PHE A 67 26.673 10.638 -30.401 1.00 0.00 H new ATOM 0 HA PHE A 67 28.953 12.151 -31.514 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.661 13.555 -30.156 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.859 14.205 -31.258 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.197 11.559 -31.310 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.101 14.767 -33.367 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.623 11.294 -33.176 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.529 14.503 -35.236 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.788 12.764 -35.145 1.00 0.00 H new ATOM 970 N TYR A 68 29.903 12.462 -29.256 1.00 0.00 N ATOM 971 CA TYR A 68 30.542 12.496 -27.946 1.00 0.00 C ATOM 972 C TYR A 68 30.320 13.842 -27.261 1.00 0.00 C ATOM 973 O TYR A 68 30.800 14.070 -26.151 1.00 0.00 O ATOM 974 CB TYR A 68 32.042 12.219 -28.083 1.00 0.00 C ATOM 975 CG TYR A 68 32.356 10.821 -28.563 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.505 9.765 -28.271 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.497 10.555 -29.310 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.778 8.484 -28.708 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.780 9.277 -29.751 1.00 0.00 C ATOM 980 CZ TYR A 68 32.917 8.244 -29.447 1.00 0.00 C ATOM 981 OH TYR A 68 33.192 6.969 -29.887 1.00 0.00 O ATOM 0 H TYR A 68 30.512 12.736 -30.027 1.00 0.00 H new ATOM 0 HA TYR A 68 30.089 11.720 -27.329 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.474 12.939 -28.778 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.523 12.380 -27.118 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.612 9.948 -27.691 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.174 11.361 -29.550 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.103 7.674 -28.472 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.671 9.087 -30.330 1.00 0.00 H new ATOM 0 HH TYR A 68 34.031 6.972 -30.394 1.00 0.00 H new ATOM 991 N SER A 69 29.591 14.733 -27.929 1.00 0.00 N ATOM 992 CA SER A 69 29.308 16.055 -27.380 1.00 0.00 C ATOM 993 C SER A 69 28.246 16.774 -28.204 1.00 0.00 C ATOM 994 O SER A 69 27.513 16.151 -28.971 1.00 0.00 O ATOM 995 CB SER A 69 30.585 16.895 -27.332 1.00 0.00 C ATOM 996 OG SER A 69 30.631 17.689 -26.160 1.00 0.00 O ATOM 0 H SER A 69 29.186 14.563 -28.850 1.00 0.00 H new ATOM 0 HA SER A 69 28.928 15.923 -26.367 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.456 16.240 -27.365 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.635 17.537 -28.212 1.00 0.00 H new ATOM 0 HG SER A 69 31.458 18.215 -26.153 1.00 0.00 H new ATOM 1002 N CYS A 70 28.171 18.090 -28.039 1.00 0.00 N ATOM 1003 CA CYS A 70 27.203 18.898 -28.764 1.00 0.00 C ATOM 1004 C CYS A 70 27.465 18.848 -30.265 1.00 0.00 C ATOM 1005 O CYS A 70 28.566 18.509 -30.703 1.00 0.00 O ATOM 1006 CB CYS A 70 27.257 20.344 -28.271 1.00 0.00 C ATOM 1007 SG CYS A 70 27.232 20.512 -26.455 1.00 0.00 S ATOM 0 H CYS A 70 28.772 18.619 -27.407 1.00 0.00 H new ATOM 0 HA CYS A 70 26.209 18.491 -28.578 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.161 20.815 -28.656 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.411 20.891 -28.688 1.00 0.00 H new ATOM 1012 N THR A 71 26.448 19.184 -31.049 1.00 0.00 N ATOM 1013 CA THR A 71 26.567 19.175 -32.501 1.00 0.00 C ATOM 1014 C THR A 71 25.402 19.911 -33.153 1.00 0.00 C ATOM 1015 O THR A 71 24.511 20.414 -32.469 1.00 0.00 O ATOM 1016 CB THR A 71 26.618 17.737 -33.050 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.955 17.754 -34.443 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.281 17.035 -32.854 1.00 0.00 C ATOM 0 H THR A 71 25.531 19.466 -30.703 1.00 0.00 H new ATOM 0 HA THR A 71 27.499 19.685 -32.745 1.00 0.00 H new ATOM 0 HB THR A 71 27.383 17.189 -32.499 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.987 16.835 -34.783 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.341 16.021 -33.249 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.043 16.997 -31.791 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.501 17.584 -33.381 1.00 0.00 H new ATOM 1026 N THR A 72 25.413 19.965 -34.480 1.00 0.00 N ATOM 1027 CA THR A 72 24.355 20.636 -35.226 1.00 0.00 C ATOM 1028 C THR A 72 23.915 19.797 -36.420 1.00 0.00 C ATOM 1029 O THR A 72 24.323 20.051 -37.555 1.00 0.00 O ATOM 1030 CB THR A 72 24.806 22.022 -35.723 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.130 21.943 -36.264 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.777 23.040 -34.593 1.00 0.00 C ATOM 0 H THR A 72 26.143 19.552 -35.061 1.00 0.00 H new ATOM 0 HA THR A 72 23.516 20.763 -34.542 1.00 0.00 H new ATOM 0 HB THR A 72 24.114 22.345 -36.501 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.157 21.259 -36.965 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.100 24.011 -34.969 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.763 23.121 -34.202 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.448 22.719 -33.796 1.00 0.00 H new ATOM 1040 N GLU A 73 23.083 18.794 -36.157 1.00 0.00 N ATOM 1041 CA GLU A 73 22.589 17.912 -37.209 1.00 0.00 C ATOM 1042 C GLU A 73 21.065 17.838 -37.197 1.00 0.00 C ATOM 1043 O GLU A 73 20.469 17.016 -37.893 1.00 0.00 O ATOM 1044 CB GLU A 73 23.177 16.512 -37.038 1.00 0.00 C ATOM 1045 CG GLU A 73 24.609 16.392 -37.531 1.00 0.00 C ATOM 1046 CD GLU A 73 24.718 16.499 -39.039 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.891 15.881 -39.742 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.632 17.203 -39.519 1.00 0.00 O ATOM 0 H GLU A 73 22.737 18.572 -35.224 1.00 0.00 H new ATOM 0 HA GLU A 73 22.903 18.323 -38.168 1.00 0.00 H new ATOM 0 HB2 GLU A 73 23.140 16.237 -35.984 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.555 15.797 -37.576 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.214 17.173 -37.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.022 15.436 -37.208 1.00 0.00 H new ATOM 1055 N GLY A 74 20.440 18.699 -36.400 1.00 0.00 N ATOM 1056 CA GLY A 74 18.991 18.706 -36.313 1.00 0.00 C ATOM 1057 C GLY A 74 18.393 20.093 -36.469 1.00 0.00 C ATOM 1058 O GLY A 74 17.223 20.306 -36.154 1.00 0.00 O ATOM 0 H GLY A 74 20.909 19.390 -35.815 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.583 18.052 -37.084 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.688 18.292 -35.351 1.00 0.00 H new ATOM 1122 N HIS A 79 23.248 25.963 -34.570 1.00 0.00 N ATOM 1123 CA HIS A 79 23.407 26.022 -33.121 1.00 0.00 C ATOM 1124 C HIS A 79 23.680 24.635 -32.544 1.00 0.00 C ATOM 1125 O HIS A 79 22.889 23.710 -32.726 1.00 0.00 O ATOM 1126 CB HIS A 79 22.154 26.617 -32.473 1.00 0.00 C ATOM 1127 CG HIS A 79 21.434 27.596 -33.348 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.078 27.532 -33.593 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.889 28.670 -34.037 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.731 28.522 -34.395 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.810 29.228 -34.679 1.00 0.00 N ATOM 0 HA HIS A 79 24.262 26.662 -32.902 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.472 25.808 -32.210 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.436 27.112 -31.544 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.909 29.022 -34.075 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.733 28.721 -34.757 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.838 30.053 -35.278 1.00 0.00 H new ATOM 1140 N LEU A 80 24.804 24.501 -31.846 1.00 0.00 N ATOM 1141 CA LEU A 80 25.181 23.228 -31.240 1.00 0.00 C ATOM 1142 C LEU A 80 24.157 22.800 -30.194 1.00 0.00 C ATOM 1143 O LEU A 80 23.579 23.636 -29.500 1.00 0.00 O ATOM 1144 CB LEU A 80 26.567 23.333 -30.600 1.00 0.00 C ATOM 1145 CG LEU A 80 27.737 23.008 -31.529 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.928 24.114 -32.556 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.011 22.797 -30.727 1.00 0.00 C ATOM 0 H LEU A 80 25.469 25.258 -31.686 1.00 0.00 H new ATOM 0 HA LEU A 80 25.208 22.474 -32.027 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.698 24.345 -30.217 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.606 22.661 -29.743 1.00 0.00 H new ATOM 0 HG LEU A 80 27.508 22.084 -32.060 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.765 23.865 -33.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.022 24.217 -33.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.134 25.054 -32.044 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.833 22.567 -31.404 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.244 23.704 -30.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.871 21.969 -30.032 1.00 0.00 H new ATOM 1159 N TRP A 81 23.937 21.493 -30.086 1.00 0.00 N ATOM 1160 CA TRP A 81 22.981 20.959 -29.124 1.00 0.00 C ATOM 1161 C TRP A 81 23.377 19.556 -28.672 1.00 0.00 C ATOM 1162 O TRP A 81 24.277 18.939 -29.241 1.00 0.00 O ATOM 1163 CB TRP A 81 21.580 20.929 -29.734 1.00 0.00 C ATOM 1164 CG TRP A 81 21.486 20.070 -30.958 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.653 20.470 -32.251 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.206 18.666 -31.005 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.492 19.402 -33.101 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.216 18.283 -32.360 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.946 17.694 -30.033 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.976 16.973 -32.766 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.709 16.394 -30.438 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.726 16.044 -31.795 1.00 0.00 C ATOM 0 H TRP A 81 24.407 20.786 -30.652 1.00 0.00 H new ATOM 0 HA TRP A 81 22.983 21.613 -28.252 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.874 20.565 -28.988 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.280 21.946 -29.988 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.879 21.479 -32.562 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.566 19.437 -34.118 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.931 17.955 -28.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.987 16.701 -33.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.507 15.635 -29.696 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.538 15.019 -32.079 1.00 0.00 H new ATOM 1183 N CYS A 82 22.689 19.059 -27.648 1.00 0.00 N ATOM 1184 CA CYS A 82 22.955 17.726 -27.116 1.00 0.00 C ATOM 1185 C CYS A 82 21.672 17.097 -26.581 1.00 0.00 C ATOM 1186 O CYS A 82 20.599 17.694 -26.665 1.00 0.00 O ATOM 1187 CB CYS A 82 24.009 17.795 -26.008 1.00 0.00 C ATOM 1188 SG CYS A 82 23.414 18.548 -24.460 1.00 0.00 S ATOM 0 H CYS A 82 21.941 19.561 -27.169 1.00 0.00 H new ATOM 0 HA CYS A 82 23.336 17.104 -27.925 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.364 16.786 -25.796 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.865 18.364 -26.371 1.00 0.00 H new ATOM 1193 N SER A 83 21.783 15.892 -26.031 1.00 0.00 N ATOM 1194 CA SER A 83 20.623 15.198 -25.488 1.00 0.00 C ATOM 1195 C SER A 83 20.760 15.012 -23.981 1.00 0.00 C ATOM 1196 O SER A 83 21.697 14.369 -23.507 1.00 0.00 O ATOM 1197 CB SER A 83 20.450 13.842 -26.174 1.00 0.00 C ATOM 1198 OG SER A 83 21.352 12.885 -25.649 1.00 0.00 O ATOM 0 H SER A 83 22.661 15.379 -25.950 1.00 0.00 H new ATOM 0 HA SER A 83 19.739 15.806 -25.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.426 13.492 -26.041 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.613 13.950 -27.246 1.00 0.00 H new ATOM 0 HG SER A 83 22.149 12.840 -26.218 1.00 0.00 H new ATOM 1204 N THR A 84 19.825 15.587 -23.229 1.00 0.00 N ATOM 1205 CA THR A 84 19.855 15.486 -21.775 1.00 0.00 C ATOM 1206 C THR A 84 19.528 14.069 -21.312 1.00 0.00 C ATOM 1207 O THR A 84 19.609 13.761 -20.123 1.00 0.00 O ATOM 1208 CB THR A 84 18.871 16.473 -21.120 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.610 15.833 -20.892 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.675 17.705 -21.994 1.00 0.00 C ATOM 0 H THR A 84 19.042 16.124 -23.601 1.00 0.00 H new ATOM 0 HA THR A 84 20.868 15.739 -21.463 1.00 0.00 H new ATOM 0 HB THR A 84 19.291 16.790 -20.166 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.180 16.228 -20.105 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.976 18.387 -21.510 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.632 18.207 -22.136 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.276 17.404 -22.963 1.00 0.00 H new ATOM 1218 N THR A 85 19.165 13.208 -22.258 1.00 0.00 N ATOM 1219 CA THR A 85 18.835 11.823 -21.940 1.00 0.00 C ATOM 1220 C THR A 85 19.113 10.910 -23.135 1.00 0.00 C ATOM 1221 O THR A 85 19.182 11.368 -24.276 1.00 0.00 O ATOM 1222 CB THR A 85 17.358 11.689 -21.476 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.313 11.074 -20.184 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.506 10.876 -22.449 1.00 0.00 C ATOM 0 H THR A 85 19.092 13.444 -23.248 1.00 0.00 H new ATOM 0 HA THR A 85 19.474 11.509 -21.115 1.00 0.00 H new ATOM 0 HB THR A 85 16.942 12.696 -21.438 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.381 10.992 -19.893 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.484 10.815 -22.074 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.506 11.361 -23.425 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.919 9.872 -22.542 1.00 0.00 H new ATOM 1232 N SER A 86 19.272 9.619 -22.864 1.00 0.00 N ATOM 1233 CA SER A 86 19.542 8.647 -23.916 1.00 0.00 C ATOM 1234 C SER A 86 18.487 8.727 -25.014 1.00 0.00 C ATOM 1235 O SER A 86 18.806 8.954 -26.181 1.00 0.00 O ATOM 1236 CB SER A 86 19.585 7.232 -23.337 1.00 0.00 C ATOM 1237 OG SER A 86 19.291 7.238 -21.950 1.00 0.00 O ATOM 0 H SER A 86 19.219 9.222 -21.926 1.00 0.00 H new ATOM 0 HA SER A 86 20.513 8.882 -24.351 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.868 6.600 -23.861 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.572 6.799 -23.501 1.00 0.00 H new ATOM 0 HG SER A 86 19.323 6.321 -21.605 1.00 0.00 H new ATOM 1243 N ASN A 87 17.229 8.537 -24.631 1.00 0.00 N ATOM 1244 CA ASN A 87 16.124 8.585 -25.582 1.00 0.00 C ATOM 1245 C ASN A 87 15.776 10.025 -25.944 1.00 0.00 C ATOM 1246 O ASN A 87 14.927 10.646 -25.306 1.00 0.00 O ATOM 1247 CB ASN A 87 14.895 7.887 -24.999 1.00 0.00 C ATOM 1248 CG ASN A 87 14.214 6.978 -26.003 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.130 7.296 -27.190 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.722 5.839 -25.531 1.00 0.00 N ATOM 0 H ASN A 87 16.949 8.348 -23.669 1.00 0.00 H new ATOM 0 HA ASN A 87 16.437 8.067 -26.489 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.192 7.303 -24.128 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.185 8.638 -24.653 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.252 5.187 -26.159 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.814 5.616 -24.540 1.00 0.00 H new ATOM 1257 N TYR A 88 16.433 10.550 -26.974 1.00 0.00 N ATOM 1258 CA TYR A 88 16.183 11.914 -27.417 1.00 0.00 C ATOM 1259 C TYR A 88 14.952 11.972 -28.312 1.00 0.00 C ATOM 1260 O TYR A 88 14.227 12.967 -28.326 1.00 0.00 O ATOM 1261 CB TYR A 88 17.396 12.461 -28.168 1.00 0.00 C ATOM 1262 CG TYR A 88 17.095 13.714 -28.958 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.642 14.862 -28.325 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.262 13.745 -30.336 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.363 16.010 -29.041 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.986 14.889 -31.061 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.537 16.018 -30.410 1.00 0.00 C ATOM 1268 OH TYR A 88 16.261 17.158 -31.127 1.00 0.00 O ATOM 0 H TYR A 88 17.140 10.052 -27.515 1.00 0.00 H new ATOM 0 HA TYR A 88 16.004 12.529 -26.535 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.192 12.673 -27.454 1.00 0.00 H new ATOM 0 HB3 TYR A 88 17.771 11.694 -28.845 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.505 14.858 -27.254 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.613 12.862 -30.849 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.011 16.895 -28.533 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.121 14.898 -32.132 1.00 0.00 H new ATOM 0 HH TYR A 88 16.437 16.997 -32.078 1.00 0.00 H new ATOM 1278 N GLU A 89 14.722 10.898 -29.060 1.00 0.00 N ATOM 1279 CA GLU A 89 13.578 10.825 -29.959 1.00 0.00 C ATOM 1280 C GLU A 89 12.308 10.453 -29.198 1.00 0.00 C ATOM 1281 O GLU A 89 11.254 10.248 -29.798 1.00 0.00 O ATOM 1282 CB GLU A 89 13.838 9.804 -31.068 1.00 0.00 C ATOM 1283 CG GLU A 89 14.712 10.334 -32.193 1.00 0.00 C ATOM 1284 CD GLU A 89 14.588 9.514 -33.462 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.464 9.422 -34.001 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.612 8.964 -33.918 1.00 0.00 O ATOM 0 H GLU A 89 15.313 10.067 -29.061 1.00 0.00 H new ATOM 0 HA GLU A 89 13.437 11.809 -30.406 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.313 8.923 -30.635 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.883 9.480 -31.483 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.439 11.368 -32.404 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.752 10.339 -31.868 1.00 0.00 H new ATOM 1293 N GLN A 90 12.417 10.367 -27.876 1.00 0.00 N ATOM 1294 CA GLN A 90 11.276 10.016 -27.039 1.00 0.00 C ATOM 1295 C GLN A 90 10.960 11.134 -26.052 1.00 0.00 C ATOM 1296 O GLN A 90 9.816 11.575 -25.942 1.00 0.00 O ATOM 1297 CB GLN A 90 11.553 8.716 -26.283 1.00 0.00 C ATOM 1298 CG GLN A 90 10.593 8.464 -25.131 1.00 0.00 C ATOM 1299 CD GLN A 90 9.242 7.960 -25.600 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.157 7.123 -26.500 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.177 8.466 -24.991 1.00 0.00 N ATOM 0 H GLN A 90 13.282 10.535 -27.362 1.00 0.00 H new ATOM 0 HA GLN A 90 10.412 9.874 -27.688 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.497 7.881 -26.981 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.572 8.740 -25.897 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.032 7.736 -24.449 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.457 9.387 -24.567 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.294 9.157 -24.250 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.242 8.163 -25.264 1.00 0.00 H new ATOM 1310 N ASP A 91 11.981 11.580 -25.333 1.00 0.00 N ATOM 1311 CA ASP A 91 11.816 12.643 -24.349 1.00 0.00 C ATOM 1312 C ASP A 91 11.758 14.009 -25.023 1.00 0.00 C ATOM 1313 O ASP A 91 11.155 14.945 -24.498 1.00 0.00 O ATOM 1314 CB ASP A 91 12.962 12.611 -23.336 1.00 0.00 C ATOM 1315 CG ASP A 91 12.666 11.706 -22.157 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.629 11.012 -22.187 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.472 11.692 -21.203 1.00 0.00 O ATOM 0 H ASP A 91 12.933 11.223 -25.412 1.00 0.00 H new ATOM 0 HA ASP A 91 10.873 12.476 -23.828 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.872 12.272 -23.831 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.153 13.622 -22.976 1.00 0.00 H new ATOM 1322 N GLN A 92 12.390 14.119 -26.185 1.00 0.00 N ATOM 1323 CA GLN A 92 12.408 15.374 -26.924 1.00 0.00 C ATOM 1324 C GLN A 92 12.976 16.496 -26.062 1.00 0.00 C ATOM 1325 O GLN A 92 12.403 17.583 -25.981 1.00 0.00 O ATOM 1326 CB GLN A 92 10.998 15.737 -27.393 1.00 0.00 C ATOM 1327 CG GLN A 92 10.699 15.302 -28.818 1.00 0.00 C ATOM 1328 CD GLN A 92 11.158 16.317 -29.846 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.816 17.497 -29.765 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.937 15.863 -30.821 1.00 0.00 N ATOM 0 H GLN A 92 12.896 13.356 -26.635 1.00 0.00 H new ATOM 0 HA GLN A 92 13.048 15.247 -27.797 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.272 15.278 -26.722 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.865 16.816 -27.316 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.187 14.347 -29.012 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.627 15.140 -28.927 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.196 14.877 -30.850 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.276 16.500 -31.541 1.00 0.00 H new ATOM 1339 N LYS A 93 14.110 16.225 -25.423 1.00 0.00 N ATOM 1340 CA LYS A 93 14.760 17.212 -24.570 1.00 0.00 C ATOM 1341 C LYS A 93 16.238 17.341 -24.925 1.00 0.00 C ATOM 1342 O LYS A 93 17.043 16.448 -24.663 1.00 0.00 O ATOM 1343 CB LYS A 93 14.569 16.858 -23.085 1.00 0.00 C ATOM 1344 CG LYS A 93 15.625 15.925 -22.506 1.00 0.00 C ATOM 1345 CD LYS A 93 15.561 14.540 -23.127 1.00 0.00 C ATOM 1346 CE LYS A 93 16.914 14.110 -23.674 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.924 14.074 -25.162 1.00 0.00 N ATOM 0 H LYS A 93 14.597 15.331 -25.480 1.00 0.00 H new ATOM 0 HA LYS A 93 14.291 18.180 -24.743 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.563 17.781 -22.505 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.590 16.396 -22.960 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.615 16.351 -22.670 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.487 15.846 -21.428 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.224 13.821 -22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.824 14.534 -23.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.683 14.798 -23.322 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.166 13.123 -23.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.554 13.313 -25.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.960 13.898 -25.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.264 14.986 -25.529 1.00 0.00 H new ATOM 1361 N TYR A 94 16.583 18.458 -25.547 1.00 0.00 N ATOM 1362 CA TYR A 94 17.955 18.709 -25.963 1.00 0.00 C ATOM 1363 C TYR A 94 18.465 20.029 -25.396 1.00 0.00 C ATOM 1364 O TYR A 94 17.680 20.911 -25.046 1.00 0.00 O ATOM 1365 CB TYR A 94 18.039 18.732 -27.490 1.00 0.00 C ATOM 1366 CG TYR A 94 17.585 20.039 -28.100 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.388 21.172 -28.040 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.355 20.141 -28.738 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.977 22.368 -28.597 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.937 21.333 -29.298 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.751 22.444 -29.224 1.00 0.00 C ATOM 1372 OH TYR A 94 16.340 23.632 -29.780 1.00 0.00 O ATOM 0 H TYR A 94 15.930 19.207 -25.776 1.00 0.00 H new ATOM 0 HA TYR A 94 18.582 17.906 -25.577 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.068 18.537 -27.792 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.430 17.922 -27.892 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.349 21.117 -27.550 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.714 19.273 -28.797 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.613 23.239 -28.542 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.978 21.394 -29.791 1.00 0.00 H new ATOM 0 HH TYR A 94 17.118 24.209 -29.931 1.00 0.00 H new ATOM 1382 N SER A 95 19.784 20.162 -25.312 1.00 0.00 N ATOM 1383 CA SER A 95 20.397 21.378 -24.794 1.00 0.00 C ATOM 1384 C SER A 95 21.387 21.952 -25.799 1.00 0.00 C ATOM 1385 O SER A 95 22.211 21.229 -26.356 1.00 0.00 O ATOM 1386 CB SER A 95 21.102 21.097 -23.467 1.00 0.00 C ATOM 1387 OG SER A 95 20.940 19.745 -23.075 1.00 0.00 O ATOM 0 H SER A 95 20.449 19.442 -25.596 1.00 0.00 H new ATOM 0 HA SER A 95 19.608 22.111 -24.626 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.164 21.326 -23.561 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.702 21.753 -22.694 1.00 0.00 H new ATOM 0 HG SER A 95 21.718 19.225 -23.365 1.00 0.00 H new ATOM 1393 N PHE A 96 21.297 23.257 -26.027 1.00 0.00 N ATOM 1394 CA PHE A 96 22.182 23.933 -26.968 1.00 0.00 C ATOM 1395 C PHE A 96 23.626 23.898 -26.481 1.00 0.00 C ATOM 1396 O PHE A 96 23.928 23.300 -25.448 1.00 0.00 O ATOM 1397 CB PHE A 96 21.734 25.380 -27.172 1.00 0.00 C ATOM 1398 CG PHE A 96 20.619 25.526 -28.166 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.617 24.782 -29.335 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.575 26.405 -27.933 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.593 24.913 -30.254 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.548 26.541 -28.847 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.557 25.794 -30.008 1.00 0.00 C ATOM 0 H PHE A 96 20.619 23.869 -25.572 1.00 0.00 H new ATOM 0 HA PHE A 96 22.128 23.406 -27.921 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.413 25.791 -26.215 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.586 25.973 -27.504 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.425 24.092 -29.530 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.563 26.991 -27.026 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.602 24.328 -31.162 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.740 27.230 -28.654 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.755 25.898 -30.724 1.00 0.00 H new ATOM 1413 N CYS A 97 24.516 24.541 -27.231 1.00 0.00 N ATOM 1414 CA CYS A 97 25.929 24.582 -26.873 1.00 0.00 C ATOM 1415 C CYS A 97 26.597 25.835 -27.426 1.00 0.00 C ATOM 1416 O CYS A 97 26.446 26.165 -28.603 1.00 0.00 O ATOM 1417 CB CYS A 97 26.644 23.335 -27.396 1.00 0.00 C ATOM 1418 SG CYS A 97 27.647 22.474 -26.144 1.00 0.00 S ATOM 0 H CYS A 97 24.284 25.040 -28.090 1.00 0.00 H new ATOM 0 HA CYS A 97 26.001 24.606 -25.786 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.901 22.642 -27.791 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.287 23.620 -28.228 1.00 0.00 H new ATOM 1423 N THR A 98 27.340 26.529 -26.570 1.00 0.00 N ATOM 1424 CA THR A 98 28.035 27.744 -26.965 1.00 0.00 C ATOM 1425 C THR A 98 28.885 27.516 -28.205 1.00 0.00 C ATOM 1426 O THR A 98 28.530 27.942 -29.304 1.00 0.00 O ATOM 1427 CB THR A 98 28.933 28.259 -25.828 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.028 27.359 -25.619 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.139 28.409 -24.540 1.00 0.00 C ATOM 0 H THR A 98 27.475 26.267 -25.594 1.00 0.00 H new ATOM 0 HA THR A 98 27.272 28.490 -27.189 1.00 0.00 H new ATOM 0 HB THR A 98 29.320 29.237 -26.115 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.595 27.696 -24.894 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.794 28.774 -23.749 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.326 29.118 -24.694 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.727 27.442 -24.252 1.00 0.00 H new