USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -80:sc= -0.94 USER MOD Single : A 15 LYS NZ :NH3+ -104:sc= -0.164 (180deg=-1.88!) USER MOD Single : A 17 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 0.0272 (180deg=-0.915) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 42 SER OG : rot 79:sc= 0.0425 USER MOD Single : A 57 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.67) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.864 K(o=0.86,f=-1.7!) USER MOD Single : A 71 GLN : amide:sc= -0.152 K(o=-0.15,f=-4.9!) USER MOD Single : A 72 CYS SG : rot 30:sc= -2.77 USER MOD Single : A 76 CYS SG : rot 67:sc= -1.85 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 76:sc= 0.566 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.880 0.524 6.090 1.00 0.00 N ATOM 2 CA GLY A 1 24.245 1.705 6.738 1.00 0.00 C ATOM 3 C GLY A 1 23.146 2.311 5.888 1.00 0.00 C ATOM 4 O GLY A 1 22.063 2.618 6.387 1.00 0.00 O ATOM 0 H1 GLY A 1 25.624 0.146 6.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.161 -0.209 5.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.298 0.810 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.833 1.408 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.006 2.460 6.935 1.00 0.00 H new ATOM 10 N SER A 2 23.424 2.485 4.600 1.00 0.00 N ATOM 11 CA SER A 2 22.451 3.060 3.678 1.00 0.00 C ATOM 12 C SER A 2 22.110 2.075 2.564 1.00 0.00 C ATOM 13 O SER A 2 21.889 2.469 1.419 1.00 0.00 O ATOM 14 CB SER A 2 22.991 4.359 3.078 1.00 0.00 C ATOM 15 OG SER A 2 21.960 5.319 2.929 1.00 0.00 O ATOM 0 H SER A 2 24.315 2.236 4.171 1.00 0.00 H new ATOM 0 HA SER A 2 21.541 3.277 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.776 4.760 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.445 4.154 2.108 1.00 0.00 H new ATOM 0 HG SER A 2 22.331 6.141 2.545 1.00 0.00 H new ATOM 21 N SER A 3 22.070 0.792 2.907 1.00 0.00 N ATOM 22 CA SER A 3 21.755 -0.250 1.937 1.00 0.00 C ATOM 23 C SER A 3 20.687 -1.194 2.479 1.00 0.00 C ATOM 24 O SER A 3 20.771 -1.656 3.617 1.00 0.00 O ATOM 25 CB SER A 3 23.015 -1.040 1.579 1.00 0.00 C ATOM 26 OG SER A 3 23.856 -1.201 2.708 1.00 0.00 O ATOM 0 H SER A 3 22.252 0.449 3.850 1.00 0.00 H new ATOM 0 HA SER A 3 21.367 0.231 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.735 -2.018 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.559 -0.524 0.788 1.00 0.00 H new ATOM 0 HG SER A 3 24.653 -1.711 2.452 1.00 0.00 H new ATOM 32 N GLY A 4 19.681 -1.476 1.656 1.00 0.00 N ATOM 33 CA GLY A 4 18.611 -2.362 2.070 1.00 0.00 C ATOM 34 C GLY A 4 17.447 -2.359 1.100 1.00 0.00 C ATOM 35 O GLY A 4 17.414 -1.564 0.162 1.00 0.00 O ATOM 0 H GLY A 4 19.589 -1.106 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.999 -3.376 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.258 -2.064 3.057 1.00 0.00 H new ATOM 39 N SER A 5 16.487 -3.251 1.328 1.00 0.00 N ATOM 40 CA SER A 5 15.314 -3.347 0.466 1.00 0.00 C ATOM 41 C SER A 5 14.144 -2.563 1.050 1.00 0.00 C ATOM 42 O SER A 5 13.690 -1.580 0.465 1.00 0.00 O ATOM 43 CB SER A 5 14.917 -4.813 0.274 1.00 0.00 C ATOM 44 OG SER A 5 15.855 -5.493 -0.542 1.00 0.00 O ATOM 0 H SER A 5 16.499 -3.916 2.101 1.00 0.00 H new ATOM 0 HA SER A 5 15.568 -2.916 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.850 -5.305 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.928 -4.869 -0.180 1.00 0.00 H new ATOM 0 HG SER A 5 15.580 -6.428 -0.648 1.00 0.00 H new ATOM 50 N SER A 6 13.661 -3.005 2.205 1.00 0.00 N ATOM 51 CA SER A 6 12.542 -2.344 2.869 1.00 0.00 C ATOM 52 C SER A 6 12.914 -0.921 3.272 1.00 0.00 C ATOM 53 O SER A 6 13.978 -0.420 2.908 1.00 0.00 O ATOM 54 CB SER A 6 12.111 -3.140 4.103 1.00 0.00 C ATOM 55 OG SER A 6 10.702 -3.120 4.256 1.00 0.00 O ATOM 0 H SER A 6 14.026 -3.818 2.702 1.00 0.00 H new ATOM 0 HA SER A 6 11.710 -2.298 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.456 -4.170 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.583 -2.722 4.992 1.00 0.00 H new ATOM 0 HG SER A 6 10.452 -3.637 5.050 1.00 0.00 H new ATOM 61 N GLY A 7 12.031 -0.275 4.026 1.00 0.00 N ATOM 62 CA GLY A 7 12.285 1.085 4.466 1.00 0.00 C ATOM 63 C GLY A 7 11.042 1.760 5.012 1.00 0.00 C ATOM 64 O GLY A 7 11.127 2.597 5.910 1.00 0.00 O ATOM 0 H GLY A 7 11.144 -0.669 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.057 1.076 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.674 1.667 3.630 1.00 0.00 H new ATOM 68 N ILE A 8 9.886 1.395 4.467 1.00 0.00 N ATOM 69 CA ILE A 8 8.620 1.971 4.905 1.00 0.00 C ATOM 70 C ILE A 8 7.701 0.899 5.483 1.00 0.00 C ATOM 71 O ILE A 8 7.694 -0.242 5.020 1.00 0.00 O ATOM 72 CB ILE A 8 7.896 2.682 3.745 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.844 3.656 3.042 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.663 3.413 4.257 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.511 3.875 1.582 1.00 0.00 C ATOM 0 H ILE A 8 9.800 0.704 3.722 1.00 0.00 H new ATOM 0 HA ILE A 8 8.854 2.702 5.679 1.00 0.00 H new ATOM 0 HB ILE A 8 7.576 1.931 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.817 4.615 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.864 3.279 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.163 3.910 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.980 2.698 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.961 4.156 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.223 4.576 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.566 2.925 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.503 4.281 1.496 1.00 0.00 H new ATOM 87 N ASP A 9 6.927 1.275 6.495 1.00 0.00 N ATOM 88 CA ASP A 9 6.003 0.347 7.136 1.00 0.00 C ATOM 89 C ASP A 9 4.795 1.086 7.700 1.00 0.00 C ATOM 90 O ASP A 9 4.674 2.302 7.551 1.00 0.00 O ATOM 91 CB ASP A 9 6.713 -0.421 8.253 1.00 0.00 C ATOM 92 CG ASP A 9 7.519 -1.592 7.727 1.00 0.00 C ATOM 93 OD1 ASP A 9 6.958 -2.405 6.963 1.00 0.00 O ATOM 94 OD2 ASP A 9 8.713 -1.697 8.080 1.00 0.00 O ATOM 0 H ASP A 9 6.921 2.216 6.889 1.00 0.00 H new ATOM 0 HA ASP A 9 5.655 -0.360 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.373 0.257 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.974 -0.784 8.967 1.00 0.00 H new ATOM 99 N VAL A 10 3.903 0.345 8.349 1.00 0.00 N ATOM 100 CA VAL A 10 2.704 0.932 8.935 1.00 0.00 C ATOM 101 C VAL A 10 3.064 1.991 9.973 1.00 0.00 C ATOM 102 O VAL A 10 3.845 1.736 10.889 1.00 0.00 O ATOM 103 CB VAL A 10 1.816 -0.142 9.595 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.516 0.470 10.095 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.539 -1.277 8.620 1.00 0.00 C ATOM 0 H VAL A 10 3.988 -0.663 8.482 1.00 0.00 H new ATOM 0 HA VAL A 10 2.148 1.399 8.122 1.00 0.00 H new ATOM 0 HB VAL A 10 2.350 -0.551 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.096 -0.304 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.737 1.244 10.829 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.026 0.909 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.911 -2.026 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.026 -0.885 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.481 -1.734 8.317 1.00 0.00 H new ATOM 115 N GLY A 11 2.488 3.179 9.820 1.00 0.00 N ATOM 116 CA GLY A 11 2.760 4.259 10.749 1.00 0.00 C ATOM 117 C GLY A 11 4.013 5.031 10.389 1.00 0.00 C ATOM 118 O GLY A 11 4.823 5.352 11.259 1.00 0.00 O ATOM 0 H GLY A 11 1.838 3.413 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.910 4.941 10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.864 3.852 11.755 1.00 0.00 H new ATOM 122 N CYS A 12 4.176 5.330 9.103 1.00 0.00 N ATOM 123 CA CYS A 12 5.343 6.068 8.633 1.00 0.00 C ATOM 124 C CYS A 12 4.949 7.092 7.568 1.00 0.00 C ATOM 125 O CYS A 12 4.121 6.810 6.702 1.00 0.00 O ATOM 126 CB CYS A 12 6.388 5.104 8.071 1.00 0.00 C ATOM 127 SG CYS A 12 8.087 5.488 8.558 1.00 0.00 S ATOM 0 H CYS A 12 3.516 5.073 8.370 1.00 0.00 H new ATOM 0 HA CYS A 12 5.771 6.602 9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.147 4.093 8.399 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.324 5.110 6.983 1.00 0.00 H new ATOM 0 HG CYS A 12 8.547 6.446 7.809 1.00 0.00 H new ATOM 133 N PRO A 13 5.539 8.300 7.618 1.00 0.00 N ATOM 134 CA PRO A 13 5.244 9.361 6.652 1.00 0.00 C ATOM 135 C PRO A 13 5.937 9.137 5.312 1.00 0.00 C ATOM 136 O PRO A 13 7.164 9.117 5.234 1.00 0.00 O ATOM 137 CB PRO A 13 5.793 10.611 7.336 1.00 0.00 C ATOM 138 CG PRO A 13 6.923 10.114 8.170 1.00 0.00 C ATOM 139 CD PRO A 13 6.539 8.727 8.617 1.00 0.00 C ATOM 0 HA PRO A 13 4.182 9.416 6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.132 11.346 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.032 11.096 7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.850 10.095 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.090 10.767 9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.400 8.059 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.122 8.732 9.624 1.00 0.00 H new ATOM 147 N VAL A 14 5.141 8.968 4.262 1.00 0.00 N ATOM 148 CA VAL A 14 5.679 8.745 2.925 1.00 0.00 C ATOM 149 C VAL A 14 4.793 9.388 1.863 1.00 0.00 C ATOM 150 O VAL A 14 3.566 9.321 1.940 1.00 0.00 O ATOM 151 CB VAL A 14 5.820 7.244 2.617 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.954 6.635 3.428 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.511 6.517 2.888 1.00 0.00 C ATOM 0 H VAL A 14 4.122 8.981 4.311 1.00 0.00 H new ATOM 0 HA VAL A 14 6.666 9.206 2.902 1.00 0.00 H new ATOM 0 HB VAL A 14 6.060 7.131 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.038 5.573 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.889 7.136 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.748 6.759 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.631 5.457 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.238 6.638 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.726 6.934 2.258 1.00 0.00 H new ATOM 163 N LYS A 15 5.423 10.012 0.873 1.00 0.00 N ATOM 164 CA LYS A 15 4.692 10.668 -0.205 1.00 0.00 C ATOM 165 C LYS A 15 4.312 9.672 -1.295 1.00 0.00 C ATOM 166 O LYS A 15 5.089 8.780 -1.635 1.00 0.00 O ATOM 167 CB LYS A 15 5.531 11.800 -0.802 1.00 0.00 C ATOM 168 CG LYS A 15 6.005 12.814 0.227 1.00 0.00 C ATOM 169 CD LYS A 15 7.148 13.659 -0.310 1.00 0.00 C ATOM 170 CE LYS A 15 7.023 15.108 0.129 1.00 0.00 C ATOM 171 NZ LYS A 15 5.882 15.794 -0.537 1.00 0.00 N ATOM 0 H LYS A 15 6.438 10.077 0.795 1.00 0.00 H new ATOM 0 HA LYS A 15 3.776 11.084 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.398 11.372 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.944 12.314 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.175 13.461 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.328 12.295 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.097 13.253 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.160 13.607 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.890 15.149 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.948 15.637 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.242 16.419 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.246 15.085 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.360 16.359 0.163 1.00 0.00 H new ATOM 185 N VAL A 16 3.111 9.833 -1.841 1.00 0.00 N ATOM 186 CA VAL A 16 2.623 8.952 -2.894 1.00 0.00 C ATOM 187 C VAL A 16 2.381 9.724 -4.186 1.00 0.00 C ATOM 188 O VAL A 16 1.796 10.807 -4.173 1.00 0.00 O ATOM 189 CB VAL A 16 1.319 8.247 -2.478 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.928 7.195 -3.505 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.464 7.626 -1.097 1.00 0.00 C ATOM 0 H VAL A 16 2.457 10.567 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 16 3.395 8.201 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 16 0.524 8.992 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.004 6.708 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.778 7.671 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.721 6.452 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.532 7.132 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.272 6.895 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.692 8.405 -0.370 1.00 0.00 H new ATOM 201 N GLN A 17 2.833 9.160 -5.301 1.00 0.00 N ATOM 202 CA GLN A 17 2.663 9.796 -6.603 1.00 0.00 C ATOM 203 C GLN A 17 1.388 9.310 -7.285 1.00 0.00 C ATOM 204 O GLN A 17 1.300 8.158 -7.709 1.00 0.00 O ATOM 205 CB GLN A 17 3.873 9.512 -7.495 1.00 0.00 C ATOM 206 CG GLN A 17 4.175 10.625 -8.484 1.00 0.00 C ATOM 207 CD GLN A 17 5.516 10.450 -9.168 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.261 9.515 -8.871 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.833 11.351 -10.091 1.00 0.00 N ATOM 0 H GLN A 17 3.320 8.264 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 17 2.581 10.871 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.748 9.350 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.700 8.587 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.389 10.659 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.159 11.583 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.186 12.110 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.723 11.284 -10.585 1.00 0.00 H new ATOM 218 N LEU A 18 0.403 10.197 -7.387 1.00 0.00 N ATOM 219 CA LEU A 18 -0.868 9.858 -8.017 1.00 0.00 C ATOM 220 C LEU A 18 -0.763 9.956 -9.536 1.00 0.00 C ATOM 221 O LEU A 18 -1.198 9.057 -10.257 1.00 0.00 O ATOM 222 CB LEU A 18 -1.976 10.783 -7.510 1.00 0.00 C ATOM 223 CG LEU A 18 -2.441 10.514 -6.079 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.344 11.636 -5.590 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.160 9.175 -5.996 1.00 0.00 C ATOM 0 H LEU A 18 0.461 11.155 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.114 8.830 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.626 11.813 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.834 10.696 -8.177 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.563 10.475 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.665 11.426 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.797 12.579 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.218 11.708 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.484 8.999 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.029 9.187 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.483 8.379 -6.304 1.00 0.00 H new ATOM 237 N ARG A 19 -0.186 11.053 -10.015 1.00 0.00 N ATOM 238 CA ARG A 19 -0.024 11.268 -11.448 1.00 0.00 C ATOM 239 C ARG A 19 1.330 10.758 -11.926 1.00 0.00 C ATOM 240 O ARG A 19 2.323 10.829 -11.201 1.00 0.00 O ATOM 241 CB ARG A 19 -0.169 12.754 -11.781 1.00 0.00 C ATOM 242 CG ARG A 19 -0.904 13.016 -13.087 1.00 0.00 C ATOM 243 CD ARG A 19 -2.324 13.502 -12.842 1.00 0.00 C ATOM 244 NE ARG A 19 -3.280 12.878 -13.753 1.00 0.00 N ATOM 245 CZ ARG A 19 -4.495 13.363 -14.001 1.00 0.00 C ATOM 246 NH1 ARG A 19 -4.904 14.478 -13.408 1.00 0.00 N ATOM 247 NH2 ARG A 19 -5.301 12.733 -14.843 1.00 0.00 N ATOM 0 H ARG A 19 0.177 11.807 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.804 10.709 -11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.701 13.250 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.822 13.204 -11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.360 13.760 -13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.929 12.102 -13.681 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.609 13.285 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.363 14.585 -12.962 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.000 12.020 -14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.287 14.967 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.836 14.846 -13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.991 11.876 -15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.232 13.105 -15.033 1.00 0.00 H new ATOM 261 N SER A 20 1.364 10.242 -13.150 1.00 0.00 N ATOM 262 CA SER A 20 2.599 9.719 -13.725 1.00 0.00 C ATOM 263 C SER A 20 3.532 10.853 -14.137 1.00 0.00 C ATOM 264 O SER A 20 3.516 11.298 -15.285 1.00 0.00 O ATOM 265 CB SER A 20 2.288 8.834 -14.934 1.00 0.00 C ATOM 266 OG SER A 20 3.478 8.429 -15.589 1.00 0.00 O ATOM 0 H SER A 20 0.552 10.175 -13.763 1.00 0.00 H new ATOM 0 HA SER A 20 3.099 9.121 -12.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.730 7.955 -14.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.652 9.377 -15.632 1.00 0.00 H new ATOM 0 HG SER A 20 3.252 7.863 -16.357 1.00 0.00 H new ATOM 272 N GLY A 21 4.342 11.318 -13.192 1.00 0.00 N ATOM 273 CA GLY A 21 5.272 12.396 -13.476 1.00 0.00 C ATOM 274 C GLY A 21 4.626 13.763 -13.361 1.00 0.00 C ATOM 275 O GLY A 21 4.460 14.465 -14.359 1.00 0.00 O ATOM 0 H GLY A 21 4.371 10.968 -12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.114 12.336 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.673 12.270 -14.482 1.00 0.00 H new ATOM 279 N GLU A 22 4.261 14.143 -12.141 1.00 0.00 N ATOM 280 CA GLU A 22 3.630 15.435 -11.899 1.00 0.00 C ATOM 281 C GLU A 22 3.976 15.960 -10.510 1.00 0.00 C ATOM 282 O GLU A 22 4.539 17.045 -10.368 1.00 0.00 O ATOM 283 CB GLU A 22 2.111 15.320 -12.049 1.00 0.00 C ATOM 284 CG GLU A 22 1.441 16.623 -12.451 1.00 0.00 C ATOM 285 CD GLU A 22 -0.072 16.541 -12.395 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.640 16.797 -11.312 1.00 0.00 O ATOM 287 OE2 GLU A 22 -0.689 16.219 -13.432 1.00 0.00 O ATOM 0 H GLU A 22 4.391 13.574 -11.304 1.00 0.00 H new ATOM 0 HA GLU A 22 4.010 16.140 -12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.884 14.559 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.686 14.978 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.783 17.421 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.750 16.890 -13.462 1.00 0.00 H new ATOM 294 N GLU A 23 3.636 15.182 -9.487 1.00 0.00 N ATOM 295 CA GLU A 23 3.912 15.568 -8.108 1.00 0.00 C ATOM 296 C GLU A 23 3.511 14.457 -7.142 1.00 0.00 C ATOM 297 O GLU A 23 2.773 13.541 -7.507 1.00 0.00 O ATOM 298 CB GLU A 23 3.168 16.860 -7.761 1.00 0.00 C ATOM 299 CG GLU A 23 4.086 17.996 -7.340 1.00 0.00 C ATOM 300 CD GLU A 23 4.691 17.778 -5.968 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.921 17.635 -4.994 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.936 17.749 -5.865 1.00 0.00 O ATOM 0 H GLU A 23 3.169 14.281 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 23 4.984 15.738 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.584 17.177 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.461 16.658 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.886 18.103 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.525 18.931 -7.342 1.00 0.00 H new ATOM 309 N LYS A 24 4.003 14.543 -5.910 1.00 0.00 N ATOM 310 CA LYS A 24 3.698 13.544 -4.893 1.00 0.00 C ATOM 311 C LYS A 24 2.936 14.169 -3.727 1.00 0.00 C ATOM 312 O LYS A 24 2.962 15.384 -3.536 1.00 0.00 O ATOM 313 CB LYS A 24 4.985 12.892 -4.385 1.00 0.00 C ATOM 314 CG LYS A 24 5.680 12.027 -5.423 1.00 0.00 C ATOM 315 CD LYS A 24 6.402 10.856 -4.777 1.00 0.00 C ATOM 316 CE LYS A 24 7.210 10.069 -5.795 1.00 0.00 C ATOM 317 NZ LYS A 24 7.465 8.673 -5.343 1.00 0.00 N ATOM 0 H LYS A 24 4.615 15.295 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 24 3.068 12.780 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.672 13.672 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.753 12.282 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.947 11.654 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.393 12.631 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.063 11.223 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.676 10.198 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.677 10.051 -6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.160 10.573 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.588 8.057 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.327 8.648 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.658 8.338 -4.779 1.00 0.00 H new ATOM 331 N PHE A 25 2.259 13.328 -2.952 1.00 0.00 N ATOM 332 CA PHE A 25 1.491 13.795 -1.804 1.00 0.00 C ATOM 333 C PHE A 25 1.898 13.045 -0.537 1.00 0.00 C ATOM 334 O PHE A 25 1.811 11.818 -0.481 1.00 0.00 O ATOM 335 CB PHE A 25 -0.007 13.612 -2.059 1.00 0.00 C ATOM 336 CG PHE A 25 -0.540 14.488 -3.156 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.496 15.869 -3.042 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.085 13.931 -4.303 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.987 16.677 -4.050 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.577 14.734 -5.314 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.527 16.109 -5.188 1.00 0.00 C ATOM 0 H PHE A 25 2.227 12.319 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 25 1.702 14.855 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.200 12.569 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.552 13.823 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.073 16.318 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.125 12.857 -4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.949 17.752 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.000 14.287 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.909 16.739 -5.978 1.00 0.00 H new ATOM 351 N PRO A 26 2.352 13.769 0.503 1.00 0.00 N ATOM 352 CA PRO A 26 2.772 13.155 1.768 1.00 0.00 C ATOM 353 C PRO A 26 1.611 12.500 2.510 1.00 0.00 C ATOM 354 O PRO A 26 0.500 13.031 2.538 1.00 0.00 O ATOM 355 CB PRO A 26 3.327 14.332 2.576 1.00 0.00 C ATOM 356 CG PRO A 26 2.672 15.536 1.994 1.00 0.00 C ATOM 357 CD PRO A 26 2.491 15.238 0.532 1.00 0.00 C ATOM 0 HA PRO A 26 3.495 12.355 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.094 14.229 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.412 14.393 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.713 15.730 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.287 16.424 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.610 15.734 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.345 15.574 -0.056 1.00 0.00 H new ATOM 365 N GLY A 27 1.877 11.343 3.108 1.00 0.00 N ATOM 366 CA GLY A 27 0.845 10.633 3.841 1.00 0.00 C ATOM 367 C GLY A 27 1.420 9.653 4.846 1.00 0.00 C ATOM 368 O GLY A 27 2.564 9.221 4.716 1.00 0.00 O ATOM 0 H GLY A 27 2.788 10.885 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.212 11.352 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.208 10.096 3.138 1.00 0.00 H new ATOM 372 N VAL A 28 0.623 9.301 5.850 1.00 0.00 N ATOM 373 CA VAL A 28 1.059 8.366 6.879 1.00 0.00 C ATOM 374 C VAL A 28 0.525 6.963 6.608 1.00 0.00 C ATOM 375 O VAL A 28 -0.670 6.775 6.382 1.00 0.00 O ATOM 376 CB VAL A 28 0.603 8.820 8.281 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.915 8.883 8.360 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.162 7.895 9.353 1.00 0.00 C ATOM 0 H VAL A 28 -0.328 9.650 5.972 1.00 0.00 H new ATOM 0 HA VAL A 28 2.148 8.347 6.850 1.00 0.00 H new ATOM 0 HB VAL A 28 0.993 9.822 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.214 9.205 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.289 9.593 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.331 7.896 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.829 8.232 10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.807 6.879 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.251 7.910 9.315 1.00 0.00 H new ATOM 388 N VAL A 29 1.420 5.979 6.631 1.00 0.00 N ATOM 389 CA VAL A 29 1.038 4.593 6.388 1.00 0.00 C ATOM 390 C VAL A 29 0.119 4.076 7.489 1.00 0.00 C ATOM 391 O VAL A 29 0.393 4.257 8.675 1.00 0.00 O ATOM 392 CB VAL A 29 2.273 3.677 6.294 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.872 2.287 5.824 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.319 4.281 5.368 1.00 0.00 C ATOM 0 H VAL A 29 2.414 6.117 6.815 1.00 0.00 H new ATOM 0 HA VAL A 29 0.508 4.574 5.436 1.00 0.00 H new ATOM 0 HB VAL A 29 2.712 3.587 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.757 1.654 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.164 1.854 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.407 2.356 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.183 3.619 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.895 4.405 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.629 5.252 5.754 1.00 0.00 H new ATOM 404 N ARG A 30 -0.972 3.432 7.088 1.00 0.00 N ATOM 405 CA ARG A 30 -1.933 2.889 8.042 1.00 0.00 C ATOM 406 C ARG A 30 -1.998 1.368 7.947 1.00 0.00 C ATOM 407 O ARG A 30 -2.177 0.680 8.953 1.00 0.00 O ATOM 408 CB ARG A 30 -3.319 3.487 7.797 1.00 0.00 C ATOM 409 CG ARG A 30 -3.338 5.007 7.814 1.00 0.00 C ATOM 410 CD ARG A 30 -2.980 5.556 9.185 1.00 0.00 C ATOM 411 NE ARG A 30 -4.140 6.124 9.867 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.163 6.428 11.163 1.00 0.00 C ATOM 413 NH1 ARG A 30 -3.093 6.221 11.920 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.261 6.941 11.704 1.00 0.00 N ATOM 0 H ARG A 30 -1.213 3.273 6.110 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.601 3.157 9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.691 3.138 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.006 3.115 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.635 5.388 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.327 5.362 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.555 4.759 9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.211 6.321 9.080 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.982 6.298 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.246 5.827 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.117 6.456 12.912 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.087 7.102 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.279 7.174 12.697 1.00 0.00 H new ATOM 428 N PHE A 31 -1.856 0.848 6.732 1.00 0.00 N ATOM 429 CA PHE A 31 -1.900 -0.593 6.507 1.00 0.00 C ATOM 430 C PHE A 31 -0.965 -0.996 5.371 1.00 0.00 C ATOM 431 O PHE A 31 -0.445 -0.143 4.650 1.00 0.00 O ATOM 432 CB PHE A 31 -3.329 -1.033 6.186 1.00 0.00 C ATOM 433 CG PHE A 31 -3.568 -2.501 6.398 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.757 -3.008 7.673 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.602 -3.372 5.321 1.00 0.00 C ATOM 436 CE1 PHE A 31 -3.976 -4.359 7.872 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.820 -4.724 5.513 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.007 -5.217 6.790 1.00 0.00 C ATOM 0 H PHE A 31 -1.710 1.402 5.888 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.568 -1.089 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.023 -0.467 6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.553 -0.783 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.733 -2.341 8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.457 -2.991 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.122 -4.742 8.871 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.844 -5.394 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.177 -6.273 6.942 1.00 0.00 H new ATOM 448 N ARG A 32 -0.755 -2.298 5.217 1.00 0.00 N ATOM 449 CA ARG A 32 0.116 -2.814 4.168 1.00 0.00 C ATOM 450 C ARG A 32 -0.225 -4.265 3.843 1.00 0.00 C ATOM 451 O ARG A 32 -0.166 -5.136 4.708 1.00 0.00 O ATOM 452 CB ARG A 32 1.583 -2.706 4.595 1.00 0.00 C ATOM 453 CG ARG A 32 2.561 -3.219 3.550 1.00 0.00 C ATOM 454 CD ARG A 32 3.794 -3.831 4.195 1.00 0.00 C ATOM 455 NE ARG A 32 4.417 -4.839 3.340 1.00 0.00 N ATOM 456 CZ ARG A 32 5.262 -5.767 3.781 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.593 -5.818 5.067 1.00 0.00 N ATOM 458 NH2 ARG A 32 5.781 -6.648 2.936 1.00 0.00 N ATOM 0 H ARG A 32 -1.176 -3.016 5.806 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.040 -2.213 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.813 -1.663 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.726 -3.265 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.069 -3.963 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.860 -2.400 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.517 -3.045 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.518 -4.284 5.147 1.00 0.00 H new ATOM 0 HE ARG A 32 4.190 -4.831 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.199 -5.143 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.241 -6.532 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.532 -6.614 1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.429 -7.359 3.275 1.00 0.00 H new ATOM 472 N GLY A 33 -0.582 -4.514 2.586 1.00 0.00 N ATOM 473 CA GLY A 33 -0.927 -5.860 2.167 1.00 0.00 C ATOM 474 C GLY A 33 -1.278 -5.937 0.693 1.00 0.00 C ATOM 475 O GLY A 33 -1.834 -4.989 0.136 1.00 0.00 O ATOM 0 H GLY A 33 -0.638 -3.808 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.090 -6.527 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.771 -6.216 2.757 1.00 0.00 H new ATOM 479 N PRO A 34 -0.964 -7.061 0.026 1.00 0.00 N ATOM 480 CA PRO A 34 -1.255 -7.241 -1.399 1.00 0.00 C ATOM 481 C PRO A 34 -2.742 -7.459 -1.662 1.00 0.00 C ATOM 482 O PRO A 34 -3.544 -7.524 -0.732 1.00 0.00 O ATOM 483 CB PRO A 34 -0.458 -8.494 -1.765 1.00 0.00 C ATOM 484 CG PRO A 34 -0.365 -9.265 -0.494 1.00 0.00 C ATOM 485 CD PRO A 34 -0.298 -8.243 0.609 1.00 0.00 C ATOM 0 HA PRO A 34 -0.988 -6.362 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.960 -9.070 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.530 -8.238 -2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.230 -9.917 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.519 -9.903 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.809 -8.589 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.732 -8.025 0.892 1.00 0.00 H new ATOM 493 N LEU A 35 -3.100 -7.572 -2.936 1.00 0.00 N ATOM 494 CA LEU A 35 -4.490 -7.784 -3.324 1.00 0.00 C ATOM 495 C LEU A 35 -4.606 -8.919 -4.336 1.00 0.00 C ATOM 496 O LEU A 35 -5.491 -8.913 -5.191 1.00 0.00 O ATOM 497 CB LEU A 35 -5.079 -6.500 -3.911 1.00 0.00 C ATOM 498 CG LEU A 35 -5.304 -5.371 -2.903 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.653 -4.076 -3.621 1.00 0.00 C ATOM 500 CD2 LEU A 35 -6.400 -5.749 -1.918 1.00 0.00 C ATOM 0 H LEU A 35 -2.447 -7.520 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.052 -8.059 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.414 -6.139 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.031 -6.739 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.380 -5.215 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.810 -3.284 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.836 -3.798 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.564 -4.217 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.548 -4.935 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.328 -5.931 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.110 -6.652 -1.380 1.00 0.00 H new ATOM 512 N LEU A 36 -3.707 -9.891 -4.232 1.00 0.00 N ATOM 513 CA LEU A 36 -3.708 -11.034 -5.138 1.00 0.00 C ATOM 514 C LEU A 36 -3.512 -10.583 -6.582 1.00 0.00 C ATOM 515 O LEU A 36 -3.309 -9.398 -6.851 1.00 0.00 O ATOM 516 CB LEU A 36 -5.018 -11.814 -5.008 1.00 0.00 C ATOM 517 CG LEU A 36 -5.345 -12.298 -3.594 1.00 0.00 C ATOM 518 CD1 LEU A 36 -6.810 -12.691 -3.490 1.00 0.00 C ATOM 519 CD2 LEU A 36 -4.448 -13.466 -3.211 1.00 0.00 C ATOM 0 H LEU A 36 -2.968 -9.911 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.878 -11.685 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.835 -11.183 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.976 -12.678 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.160 -11.480 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.024 -13.033 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.435 -11.829 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.022 -13.494 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.694 -13.798 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.601 -14.287 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.405 -13.150 -3.245 1.00 0.00 H new ATOM 531 N ALA A 37 -3.574 -11.535 -7.507 1.00 0.00 N ATOM 532 CA ALA A 37 -3.403 -11.235 -8.924 1.00 0.00 C ATOM 533 C ALA A 37 -4.537 -11.829 -9.752 1.00 0.00 C ATOM 534 O ALA A 37 -4.616 -13.044 -9.933 1.00 0.00 O ATOM 535 CB ALA A 37 -2.061 -11.755 -9.415 1.00 0.00 C ATOM 0 H ALA A 37 -3.741 -12.520 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.428 -10.152 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.947 -11.524 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.258 -11.280 -8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.015 -12.835 -9.272 1.00 0.00 H new ATOM 541 N GLU A 38 -5.413 -10.964 -10.253 1.00 0.00 N ATOM 542 CA GLU A 38 -6.544 -11.404 -11.062 1.00 0.00 C ATOM 543 C GLU A 38 -6.230 -11.274 -12.549 1.00 0.00 C ATOM 544 O GLU A 38 -6.113 -12.274 -13.258 1.00 0.00 O ATOM 545 CB GLU A 38 -7.792 -10.587 -10.719 1.00 0.00 C ATOM 546 CG GLU A 38 -8.325 -10.851 -9.321 1.00 0.00 C ATOM 547 CD GLU A 38 -9.106 -12.147 -9.228 1.00 0.00 C ATOM 548 OE1 GLU A 38 -9.737 -12.532 -10.235 1.00 0.00 O ATOM 549 OE2 GLU A 38 -9.084 -12.778 -8.151 1.00 0.00 O ATOM 0 H GLU A 38 -5.361 -9.955 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.733 -12.454 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.560 -9.526 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.574 -10.810 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.492 -10.882 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.966 -10.023 -9.018 1.00 0.00 H new ATOM 556 N ARG A 39 -6.096 -10.037 -13.015 1.00 0.00 N ATOM 557 CA ARG A 39 -5.795 -9.777 -14.418 1.00 0.00 C ATOM 558 C ARG A 39 -4.700 -8.724 -14.554 1.00 0.00 C ATOM 559 O ARG A 39 -4.680 -7.956 -15.516 1.00 0.00 O ATOM 560 CB ARG A 39 -7.056 -9.316 -15.154 1.00 0.00 C ATOM 561 CG ARG A 39 -7.818 -8.220 -14.426 1.00 0.00 C ATOM 562 CD ARG A 39 -9.092 -8.753 -13.790 1.00 0.00 C ATOM 563 NE ARG A 39 -9.463 -8.001 -12.593 1.00 0.00 N ATOM 564 CZ ARG A 39 -10.370 -8.412 -11.711 1.00 0.00 C ATOM 565 NH1 ARG A 39 -11.001 -9.566 -11.886 1.00 0.00 N ATOM 566 NH2 ARG A 39 -10.648 -7.667 -10.650 1.00 0.00 N ATOM 0 H ARG A 39 -6.191 -9.199 -12.442 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.439 -10.705 -14.866 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.778 -8.957 -16.145 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.716 -10.172 -15.298 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.182 -7.783 -13.657 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.066 -7.422 -15.126 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.905 -8.706 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.956 -9.803 -13.531 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.999 -7.108 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.792 -10.143 -12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.695 -9.876 -11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.166 -6.779 -10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.343 -7.982 -9.974 1.00 0.00 H new ATOM 580 N THR A 40 -3.789 -8.697 -13.586 1.00 0.00 N ATOM 581 CA THR A 40 -2.690 -7.739 -13.599 1.00 0.00 C ATOM 582 C THR A 40 -1.540 -8.221 -12.722 1.00 0.00 C ATOM 583 O THR A 40 -1.653 -9.233 -12.030 1.00 0.00 O ATOM 584 CB THR A 40 -3.173 -6.369 -13.120 1.00 0.00 C ATOM 585 OG1 THR A 40 -2.109 -5.434 -13.121 1.00 0.00 O ATOM 586 CG2 THR A 40 -3.759 -6.396 -11.724 1.00 0.00 C ATOM 0 H THR A 40 -3.790 -9.327 -12.784 1.00 0.00 H new ATOM 0 HA THR A 40 -2.330 -7.650 -14.624 1.00 0.00 H new ATOM 0 HB THR A 40 -3.956 -6.077 -13.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.438 -4.564 -12.813 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.082 -5.393 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.614 -7.072 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.004 -6.743 -11.019 1.00 0.00 H new ATOM 594 N VAL A 41 -0.430 -7.488 -12.756 1.00 0.00 N ATOM 595 CA VAL A 41 0.742 -7.839 -11.965 1.00 0.00 C ATOM 596 C VAL A 41 0.792 -7.038 -10.669 1.00 0.00 C ATOM 597 O VAL A 41 1.868 -6.694 -10.180 1.00 0.00 O ATOM 598 CB VAL A 41 2.042 -7.598 -12.756 1.00 0.00 C ATOM 599 CG1 VAL A 41 2.245 -8.688 -13.798 1.00 0.00 C ATOM 600 CG2 VAL A 41 2.026 -6.223 -13.406 1.00 0.00 C ATOM 0 H VAL A 41 -0.319 -6.648 -13.323 1.00 0.00 H new ATOM 0 HA VAL A 41 0.659 -8.900 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 41 2.880 -7.634 -12.060 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.168 -8.500 -14.346 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.308 -9.657 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.405 -8.689 -14.492 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.952 -6.072 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.179 -6.153 -14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.935 -5.457 -12.636 1.00 0.00 H new ATOM 610 N SER A 42 -0.380 -6.745 -10.114 1.00 0.00 N ATOM 611 CA SER A 42 -0.469 -5.984 -8.873 1.00 0.00 C ATOM 612 C SER A 42 0.254 -6.703 -7.739 1.00 0.00 C ATOM 613 O SER A 42 -0.002 -7.877 -7.473 1.00 0.00 O ATOM 614 CB SER A 42 -1.935 -5.756 -8.495 1.00 0.00 C ATOM 615 OG SER A 42 -2.664 -6.970 -8.527 1.00 0.00 O ATOM 0 H SER A 42 -1.281 -7.023 -10.504 1.00 0.00 H new ATOM 0 HA SER A 42 0.013 -5.020 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.993 -5.319 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.384 -5.040 -9.183 1.00 0.00 H new ATOM 0 HG SER A 42 -2.482 -7.483 -7.712 1.00 0.00 H new ATOM 621 N GLY A 43 1.157 -5.990 -7.074 1.00 0.00 N ATOM 622 CA GLY A 43 1.903 -6.577 -5.976 1.00 0.00 C ATOM 623 C GLY A 43 1.384 -6.137 -4.622 1.00 0.00 C ATOM 624 O GLY A 43 0.186 -5.910 -4.452 1.00 0.00 O ATOM 0 H GLY A 43 1.386 -5.017 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.852 -7.664 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.954 -6.301 -6.066 1.00 0.00 H new ATOM 628 N ILE A 44 2.288 -6.014 -3.656 1.00 0.00 N ATOM 629 CA ILE A 44 1.914 -5.597 -2.310 1.00 0.00 C ATOM 630 C ILE A 44 1.501 -4.129 -2.283 1.00 0.00 C ATOM 631 O ILE A 44 2.174 -3.275 -2.860 1.00 0.00 O ATOM 632 CB ILE A 44 3.071 -5.811 -1.313 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.644 -7.224 -1.454 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.596 -5.561 0.113 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.110 -7.245 -1.825 1.00 0.00 C ATOM 0 H ILE A 44 3.284 -6.197 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 44 1.067 -6.216 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 44 3.863 -5.097 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.507 -7.759 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.077 -7.764 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.424 -5.716 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.236 -4.536 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.788 -6.252 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.450 -8.277 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.251 -6.739 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.688 -6.734 -1.055 1.00 0.00 H new ATOM 647 N PHE A 45 0.392 -3.845 -1.608 1.00 0.00 N ATOM 648 CA PHE A 45 -0.110 -2.480 -1.505 1.00 0.00 C ATOM 649 C PHE A 45 0.170 -1.900 -0.123 1.00 0.00 C ATOM 650 O PHE A 45 0.130 -2.612 0.880 1.00 0.00 O ATOM 651 CB PHE A 45 -1.612 -2.444 -1.791 1.00 0.00 C ATOM 652 CG PHE A 45 -1.957 -2.718 -3.227 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.083 -4.020 -3.686 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.155 -1.674 -4.116 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.400 -4.274 -5.007 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.472 -1.924 -5.438 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.595 -3.226 -5.884 1.00 0.00 C ATOM 0 H PHE A 45 -0.176 -4.541 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 45 0.409 -1.872 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.111 -3.179 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.003 -1.466 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.932 -4.844 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.061 -0.654 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.495 -5.293 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.623 -1.102 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.843 -3.423 -6.916 1.00 0.00 H new ATOM 667 N PHE A 46 0.455 -0.603 -0.078 1.00 0.00 N ATOM 668 CA PHE A 46 0.743 0.075 1.182 1.00 0.00 C ATOM 669 C PHE A 46 -0.264 1.191 1.442 1.00 0.00 C ATOM 670 O PHE A 46 -0.259 2.216 0.761 1.00 0.00 O ATOM 671 CB PHE A 46 2.162 0.646 1.165 1.00 0.00 C ATOM 672 CG PHE A 46 3.233 -0.398 1.290 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.321 -1.432 0.372 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.150 -0.349 2.329 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.305 -2.396 0.486 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.136 -1.310 2.447 1.00 0.00 C ATOM 677 CZ PHE A 46 5.214 -2.335 1.524 1.00 0.00 C ATOM 0 H PHE A 46 0.493 0.000 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 46 0.663 -0.656 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.311 1.198 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.266 1.361 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.613 -1.485 -0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.093 0.449 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.363 -3.197 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.845 -1.260 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.984 -3.087 1.614 1.00 0.00 H new ATOM 687 N GLY A 47 -1.125 0.984 2.432 1.00 0.00 N ATOM 688 CA GLY A 47 -2.124 1.982 2.767 1.00 0.00 C ATOM 689 C GLY A 47 -1.521 3.211 3.417 1.00 0.00 C ATOM 690 O GLY A 47 -0.897 3.117 4.474 1.00 0.00 O ATOM 0 H GLY A 47 -1.149 0.143 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.656 2.277 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.860 1.543 3.440 1.00 0.00 H new ATOM 694 N VAL A 48 -1.704 4.365 2.785 1.00 0.00 N ATOM 695 CA VAL A 48 -1.172 5.617 3.307 1.00 0.00 C ATOM 696 C VAL A 48 -2.233 6.711 3.302 1.00 0.00 C ATOM 697 O VAL A 48 -2.937 6.904 2.310 1.00 0.00 O ATOM 698 CB VAL A 48 0.043 6.094 2.489 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.707 7.286 3.162 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.038 4.959 2.299 1.00 0.00 C ATOM 0 H VAL A 48 -2.218 4.459 1.909 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.859 5.424 4.333 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.307 6.409 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.563 7.608 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.009 8.104 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.043 7.000 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.889 5.315 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.382 4.610 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.556 4.137 1.769 1.00 0.00 H new ATOM 710 N GLU A 49 -2.345 7.424 4.418 1.00 0.00 N ATOM 711 CA GLU A 49 -3.321 8.501 4.543 1.00 0.00 C ATOM 712 C GLU A 49 -2.744 9.819 4.041 1.00 0.00 C ATOM 713 O GLU A 49 -1.775 10.336 4.598 1.00 0.00 O ATOM 714 CB GLU A 49 -3.767 8.647 5.998 1.00 0.00 C ATOM 715 CG GLU A 49 -4.880 9.663 6.194 1.00 0.00 C ATOM 716 CD GLU A 49 -5.023 10.102 7.637 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.546 9.371 8.531 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.609 11.180 7.876 1.00 0.00 O ATOM 0 H GLU A 49 -1.772 7.276 5.249 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.185 8.247 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.103 7.677 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.910 8.938 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.684 10.535 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.822 9.234 5.854 1.00 0.00 H new ATOM 725 N LEU A 50 -3.343 10.358 2.985 1.00 0.00 N ATOM 726 CA LEU A 50 -2.887 11.618 2.407 1.00 0.00 C ATOM 727 C LEU A 50 -2.968 12.747 3.428 1.00 0.00 C ATOM 728 O LEU A 50 -3.997 12.939 4.078 1.00 0.00 O ATOM 729 CB LEU A 50 -3.722 11.968 1.174 1.00 0.00 C ATOM 730 CG LEU A 50 -3.580 11.001 -0.002 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.494 11.412 -1.146 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.133 10.941 -0.469 1.00 0.00 C ATOM 0 H LEU A 50 -4.145 9.943 2.511 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.845 11.497 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.772 12.010 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.444 12.967 0.838 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.876 10.007 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.379 10.712 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.529 11.404 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.230 12.415 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.049 10.248 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.811 11.933 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.500 10.598 0.350 1.00 0.00 H new ATOM 744 N LEU A 51 -1.878 13.493 3.564 1.00 0.00 N ATOM 745 CA LEU A 51 -1.824 14.606 4.505 1.00 0.00 C ATOM 746 C LEU A 51 -2.532 15.831 3.935 1.00 0.00 C ATOM 747 O LEU A 51 -3.054 15.797 2.822 1.00 0.00 O ATOM 748 CB LEU A 51 -0.370 14.949 4.840 1.00 0.00 C ATOM 749 CG LEU A 51 0.214 14.190 6.033 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.706 13.967 5.844 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.054 14.944 7.326 1.00 0.00 C ATOM 0 H LEU A 51 -1.019 13.347 3.034 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.336 14.305 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.246 14.748 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.301 16.018 5.040 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.273 13.217 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.105 13.426 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.875 13.385 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.210 14.930 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.368 14.390 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.407 15.930 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.129 15.053 7.468 1.00 0.00 H new ATOM 763 N GLU A 52 -2.546 16.914 4.708 1.00 0.00 N ATOM 764 CA GLU A 52 -3.191 18.152 4.282 1.00 0.00 C ATOM 765 C GLU A 52 -2.658 18.610 2.927 1.00 0.00 C ATOM 766 O GLU A 52 -3.371 19.245 2.152 1.00 0.00 O ATOM 767 CB GLU A 52 -2.974 19.249 5.325 1.00 0.00 C ATOM 768 CG GLU A 52 -1.530 19.374 5.786 1.00 0.00 C ATOM 769 CD GLU A 52 -1.026 20.803 5.747 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.641 21.669 6.405 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.015 21.057 5.058 1.00 0.00 O ATOM 0 H GLU A 52 -2.118 16.959 5.633 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.259 17.958 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.298 20.203 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.606 19.047 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.443 18.990 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.896 18.752 5.154 1.00 0.00 H new ATOM 778 N GLU A 53 -1.400 18.284 2.650 1.00 0.00 N ATOM 779 CA GLU A 53 -0.773 18.662 1.388 1.00 0.00 C ATOM 780 C GLU A 53 -1.508 18.036 0.207 1.00 0.00 C ATOM 781 O GLU A 53 -1.720 18.684 -0.818 1.00 0.00 O ATOM 782 CB GLU A 53 0.695 18.233 1.375 1.00 0.00 C ATOM 783 CG GLU A 53 1.492 18.825 0.225 1.00 0.00 C ATOM 784 CD GLU A 53 1.908 20.261 0.482 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.044 21.157 0.378 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.097 20.489 0.787 1.00 0.00 O ATOM 0 H GLU A 53 -0.795 17.759 3.282 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.828 19.747 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.159 18.527 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.747 17.146 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.381 18.218 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.896 18.781 -0.686 1.00 0.00 H new ATOM 793 N GLY A 54 -1.895 16.774 0.359 1.00 0.00 N ATOM 794 CA GLY A 54 -2.602 16.081 -0.703 1.00 0.00 C ATOM 795 C GLY A 54 -3.895 15.452 -0.223 1.00 0.00 C ATOM 796 O GLY A 54 -4.292 14.389 -0.702 1.00 0.00 O ATOM 0 H GLY A 54 -1.732 16.218 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.820 16.782 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.958 15.307 -1.120 1.00 0.00 H new ATOM 800 N ARG A 55 -4.555 16.108 0.726 1.00 0.00 N ATOM 801 CA ARG A 55 -5.810 15.608 1.272 1.00 0.00 C ATOM 802 C ARG A 55 -6.946 15.776 0.266 1.00 0.00 C ATOM 803 O ARG A 55 -7.051 16.806 -0.400 1.00 0.00 O ATOM 804 CB ARG A 55 -6.150 16.335 2.576 1.00 0.00 C ATOM 805 CG ARG A 55 -6.108 15.437 3.801 1.00 0.00 C ATOM 806 CD ARG A 55 -6.067 16.249 5.086 1.00 0.00 C ATOM 807 NE ARG A 55 -6.706 15.550 6.197 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.110 16.147 7.316 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.944 17.455 7.475 1.00 0.00 N ATOM 810 NH2 ARG A 55 -7.681 15.436 8.278 1.00 0.00 N ATOM 0 H ARG A 55 -4.240 16.989 1.133 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.690 14.545 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.451 17.159 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.145 16.772 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.983 14.788 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.232 14.791 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.031 16.467 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.564 17.206 4.926 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.852 14.544 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.505 18.007 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.255 17.908 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.811 14.431 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.990 15.894 9.135 1.00 0.00 H new ATOM 824 N GLY A 56 -7.793 14.758 0.162 1.00 0.00 N ATOM 825 CA GLY A 56 -8.909 14.813 -0.764 1.00 0.00 C ATOM 826 C GLY A 56 -8.595 14.152 -2.091 1.00 0.00 C ATOM 827 O GLY A 56 -9.136 14.538 -3.127 1.00 0.00 O ATOM 0 H GLY A 56 -7.727 13.895 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.774 14.325 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.183 15.854 -0.936 1.00 0.00 H new ATOM 831 N GLN A 57 -7.719 13.153 -2.060 1.00 0.00 N ATOM 832 CA GLN A 57 -7.333 12.437 -3.270 1.00 0.00 C ATOM 833 C GLN A 57 -7.169 10.945 -2.991 1.00 0.00 C ATOM 834 O GLN A 57 -6.215 10.319 -3.452 1.00 0.00 O ATOM 835 CB GLN A 57 -6.031 13.010 -3.833 1.00 0.00 C ATOM 836 CG GLN A 57 -6.090 14.506 -4.096 1.00 0.00 C ATOM 837 CD GLN A 57 -5.492 14.888 -5.435 1.00 0.00 C ATOM 838 OE1 GLN A 57 -4.581 15.713 -5.510 1.00 0.00 O ATOM 839 NE2 GLN A 57 -6.002 14.287 -6.504 1.00 0.00 N ATOM 0 H GLN A 57 -7.263 12.821 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.126 12.565 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.220 12.804 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.789 12.495 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.128 14.837 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.559 15.032 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.757 13.609 -6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.639 14.503 -7.432 1.00 0.00 H new ATOM 848 N GLY A 58 -8.106 10.384 -2.235 1.00 0.00 N ATOM 849 CA GLY A 58 -8.047 8.971 -1.908 1.00 0.00 C ATOM 850 C GLY A 58 -9.176 8.181 -2.540 1.00 0.00 C ATOM 851 O GLY A 58 -10.266 8.711 -2.759 1.00 0.00 O ATOM 0 H GLY A 58 -8.905 10.882 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.092 8.564 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.085 8.850 -0.825 1.00 0.00 H new ATOM 855 N PHE A 59 -8.917 6.912 -2.834 1.00 0.00 N ATOM 856 CA PHE A 59 -9.921 6.049 -3.446 1.00 0.00 C ATOM 857 C PHE A 59 -10.401 4.988 -2.459 1.00 0.00 C ATOM 858 O PHE A 59 -11.602 4.817 -2.253 1.00 0.00 O ATOM 859 CB PHE A 59 -9.357 5.377 -4.701 1.00 0.00 C ATOM 860 CG PHE A 59 -7.947 4.882 -4.540 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.874 5.745 -4.696 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.695 3.555 -4.232 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.576 5.293 -4.549 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.399 3.097 -4.085 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.339 3.968 -4.244 1.00 0.00 C ATOM 0 H PHE A 59 -8.021 6.458 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.771 6.670 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.998 4.538 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.392 6.086 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.054 6.783 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.521 2.870 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.748 5.976 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.216 2.060 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.326 3.613 -4.130 1.00 0.00 H new ATOM 875 N THR A 60 -9.455 4.280 -1.850 1.00 0.00 N ATOM 876 CA THR A 60 -9.785 3.237 -0.886 1.00 0.00 C ATOM 877 C THR A 60 -10.351 3.842 0.396 1.00 0.00 C ATOM 878 O THR A 60 -11.387 3.404 0.895 1.00 0.00 O ATOM 879 CB THR A 60 -8.548 2.396 -0.566 1.00 0.00 C ATOM 880 OG1 THR A 60 -8.862 1.376 0.366 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.402 3.202 0.006 1.00 0.00 C ATOM 0 H THR A 60 -8.455 4.409 -2.007 1.00 0.00 H new ATOM 0 HA THR A 60 -10.545 2.594 -1.330 1.00 0.00 H new ATOM 0 HB THR A 60 -8.232 1.977 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.058 0.848 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.559 2.542 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.101 3.966 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.720 3.680 0.933 1.00 0.00 H new ATOM 889 N ASP A 61 -9.667 4.854 0.921 1.00 0.00 N ATOM 890 CA ASP A 61 -10.103 5.524 2.144 1.00 0.00 C ATOM 891 C ASP A 61 -10.312 4.521 3.275 1.00 0.00 C ATOM 892 O ASP A 61 -11.221 4.670 4.091 1.00 0.00 O ATOM 893 CB ASP A 61 -11.397 6.300 1.891 1.00 0.00 C ATOM 894 CG ASP A 61 -11.343 7.116 0.614 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.232 7.520 0.213 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.413 7.350 0.014 1.00 0.00 O ATOM 0 H ASP A 61 -8.808 5.229 0.519 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.320 6.221 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.232 5.601 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.590 6.963 2.734 1.00 0.00 H new ATOM 901 N GLY A 62 -9.463 3.498 3.318 1.00 0.00 N ATOM 902 CA GLY A 62 -9.574 2.487 4.353 1.00 0.00 C ATOM 903 C GLY A 62 -10.314 1.250 3.881 1.00 0.00 C ATOM 904 O GLY A 62 -10.102 0.156 4.403 1.00 0.00 O ATOM 0 H GLY A 62 -8.701 3.352 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.576 2.204 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.091 2.909 5.215 1.00 0.00 H new ATOM 908 N VAL A 63 -11.184 1.425 2.891 1.00 0.00 N ATOM 909 CA VAL A 63 -11.957 0.314 2.349 1.00 0.00 C ATOM 910 C VAL A 63 -11.644 0.096 0.872 1.00 0.00 C ATOM 911 O VAL A 63 -11.539 1.051 0.102 1.00 0.00 O ATOM 912 CB VAL A 63 -13.472 0.549 2.518 1.00 0.00 C ATOM 913 CG1 VAL A 63 -13.913 1.788 1.752 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.259 -0.674 2.070 1.00 0.00 C ATOM 0 H VAL A 63 -11.371 2.325 2.449 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.672 -0.576 2.911 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.676 0.714 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -14.985 1.935 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.377 2.659 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.693 1.658 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.325 -0.487 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.049 -0.877 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.967 -1.535 2.671 1.00 0.00 H new ATOM 924 N TYR A 64 -11.496 -1.166 0.483 1.00 0.00 N ATOM 925 CA TYR A 64 -11.195 -1.510 -0.901 1.00 0.00 C ATOM 926 C TYR A 64 -12.253 -2.449 -1.472 1.00 0.00 C ATOM 927 O TYR A 64 -12.351 -3.608 -1.068 1.00 0.00 O ATOM 928 CB TYR A 64 -9.813 -2.161 -0.998 1.00 0.00 C ATOM 929 CG TYR A 64 -9.169 -2.015 -2.359 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.681 -2.681 -3.465 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.049 -1.213 -2.537 1.00 0.00 C ATOM 932 CE1 TYR A 64 -9.094 -2.551 -4.710 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.458 -1.077 -3.778 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.984 -1.749 -4.861 1.00 0.00 C ATOM 935 OH TYR A 64 -7.397 -1.617 -6.099 1.00 0.00 O ATOM 0 H TYR A 64 -11.580 -1.968 1.108 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.198 -0.590 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.159 -1.719 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.902 -3.221 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.551 -3.310 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.633 -0.687 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.504 -3.076 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.589 -0.448 -3.899 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.626 -1.015 -6.033 1.00 0.00 H new ATOM 945 N GLN A 65 -13.041 -1.941 -2.413 1.00 0.00 N ATOM 946 CA GLN A 65 -14.093 -2.734 -3.041 1.00 0.00 C ATOM 947 C GLN A 65 -15.133 -3.175 -2.015 1.00 0.00 C ATOM 948 O GLN A 65 -15.790 -4.203 -2.186 1.00 0.00 O ATOM 949 CB GLN A 65 -13.490 -3.958 -3.738 1.00 0.00 C ATOM 950 CG GLN A 65 -13.691 -3.960 -5.245 1.00 0.00 C ATOM 951 CD GLN A 65 -13.602 -5.350 -5.843 1.00 0.00 C ATOM 952 OE1 GLN A 65 -12.521 -5.934 -5.929 1.00 0.00 O ATOM 953 NE2 GLN A 65 -14.741 -5.889 -6.261 1.00 0.00 N ATOM 0 H GLN A 65 -12.972 -0.984 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.589 -2.110 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.422 -4.000 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.935 -4.860 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.665 -3.530 -5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.940 -3.320 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.614 -5.370 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.743 -6.822 -6.672 1.00 0.00 H new ATOM 962 N GLY A 66 -15.280 -2.393 -0.949 1.00 0.00 N ATOM 963 CA GLY A 66 -16.243 -2.723 0.084 1.00 0.00 C ATOM 964 C GLY A 66 -15.591 -3.316 1.318 1.00 0.00 C ATOM 965 O GLY A 66 -16.105 -3.177 2.427 1.00 0.00 O ATOM 0 H GLY A 66 -14.749 -1.538 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.793 -1.824 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.970 -3.431 -0.314 1.00 0.00 H new ATOM 969 N LYS A 67 -14.455 -3.978 1.123 1.00 0.00 N ATOM 970 CA LYS A 67 -13.732 -4.594 2.229 1.00 0.00 C ATOM 971 C LYS A 67 -12.922 -3.556 2.996 1.00 0.00 C ATOM 972 O LYS A 67 -12.004 -2.942 2.451 1.00 0.00 O ATOM 973 CB LYS A 67 -12.809 -5.697 1.711 1.00 0.00 C ATOM 974 CG LYS A 67 -12.690 -6.884 2.654 1.00 0.00 C ATOM 975 CD LYS A 67 -11.735 -6.592 3.799 1.00 0.00 C ATOM 976 CE LYS A 67 -11.429 -7.846 4.603 1.00 0.00 C ATOM 977 NZ LYS A 67 -10.011 -7.888 5.051 1.00 0.00 N ATOM 0 H LYS A 67 -14.016 -4.101 0.211 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.463 -5.031 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.179 -6.045 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.817 -5.279 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.673 -7.133 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.341 -7.756 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.808 -6.177 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.170 -5.836 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.085 -7.889 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.644 -8.726 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.845 -8.758 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.384 -7.873 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.812 -7.062 5.650 1.00 0.00 H new ATOM 991 N GLN A 68 -13.269 -3.364 4.263 1.00 0.00 N ATOM 992 CA GLN A 68 -12.577 -2.399 5.110 1.00 0.00 C ATOM 993 C GLN A 68 -11.270 -2.981 5.642 1.00 0.00 C ATOM 994 O GLN A 68 -11.267 -3.740 6.610 1.00 0.00 O ATOM 995 CB GLN A 68 -13.472 -1.976 6.275 1.00 0.00 C ATOM 996 CG GLN A 68 -12.932 -0.791 7.058 1.00 0.00 C ATOM 997 CD GLN A 68 -13.417 0.538 6.513 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.522 0.637 5.981 1.00 0.00 O ATOM 999 NE2 GLN A 68 -12.590 1.569 6.641 1.00 0.00 N ATOM 0 H GLN A 68 -14.027 -3.865 4.728 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.344 -1.523 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.461 -1.726 5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.597 -2.821 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.232 -0.883 8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.842 -0.812 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.682 1.442 7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.862 2.488 6.291 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.164 -2.619 5.002 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.851 -3.105 5.411 1.00 0.00 C ATOM 1010 C LEU A 69 -8.337 -2.329 6.620 1.00 0.00 C ATOM 1011 O LEU A 69 -7.826 -2.916 7.574 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.857 -2.986 4.255 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.122 -3.922 3.074 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.251 -3.543 1.887 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.878 -5.369 3.476 1.00 0.00 C ATOM 0 H LEU A 69 -10.150 -1.991 4.198 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.950 -4.154 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.865 -1.958 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.855 -3.182 4.636 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.166 -3.818 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.453 -4.220 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.474 -2.520 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.200 -3.617 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.071 -6.021 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.843 -5.488 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.545 -5.636 4.296 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.477 -1.009 6.574 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.028 -0.153 7.666 1.00 0.00 C ATOM 1029 C PHE A 70 -8.935 1.065 7.812 1.00 0.00 C ATOM 1030 O PHE A 70 -9.860 1.260 7.024 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.585 0.297 7.429 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.405 1.102 6.173 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.619 0.527 4.931 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.023 2.432 6.236 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.454 1.264 3.773 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -5.856 3.173 5.081 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.072 2.589 3.848 1.00 0.00 C ATOM 0 H PHE A 70 -8.898 -0.508 5.792 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.075 -0.731 8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.253 0.890 8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.942 -0.582 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.918 -0.509 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.854 2.895 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.624 0.804 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.557 4.209 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.942 3.167 2.945 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.663 1.880 8.826 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.455 3.079 9.076 1.00 0.00 C ATOM 1049 C GLN A 71 -8.755 4.318 8.525 1.00 0.00 C ATOM 1050 O GLN A 71 -7.581 4.558 8.809 1.00 0.00 O ATOM 1051 CB GLN A 71 -9.710 3.243 10.576 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.166 3.055 10.970 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.064 4.146 10.419 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -11.610 5.035 9.698 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.347 4.083 10.757 1.00 0.00 N ATOM 0 H GLN A 71 -7.901 1.732 9.487 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.411 2.968 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.099 2.523 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.384 4.236 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.514 2.087 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.245 3.038 12.057 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.680 3.328 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.999 4.789 10.417 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.483 5.102 7.736 1.00 0.00 N ATOM 1065 CA CYS A 72 -8.934 6.316 7.145 1.00 0.00 C ATOM 1066 C CYS A 72 -10.032 7.344 6.894 1.00 0.00 C ATOM 1067 O CYS A 72 -11.220 7.020 6.931 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.210 5.989 5.837 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.526 6.640 5.743 1.00 0.00 S ATOM 0 H CYS A 72 -10.456 4.917 7.491 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.219 6.743 7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.177 4.907 5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.789 6.388 5.004 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.017 6.700 6.938 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.628 8.584 6.640 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.580 9.659 6.383 1.00 0.00 C ATOM 1077 C ASP A 73 -11.071 9.617 4.940 1.00 0.00 C ATOM 1078 O ASP A 73 -10.560 8.852 4.122 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.938 11.017 6.676 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.782 11.273 8.162 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -8.835 10.723 8.763 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.605 12.025 8.725 1.00 0.00 O ATOM 0 H ASP A 73 -8.649 8.870 6.607 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.436 9.519 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.960 11.065 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.547 11.807 6.236 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.065 10.444 4.634 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.625 10.501 3.289 1.00 0.00 C ATOM 1089 C GLU A 74 -11.623 11.099 2.306 1.00 0.00 C ATOM 1090 O GLU A 74 -11.103 12.192 2.524 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.915 11.325 3.285 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.976 10.791 2.336 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.316 11.474 2.518 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.535 12.530 1.887 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.148 10.953 3.291 1.00 0.00 O ATOM 0 H GLU A 74 -12.499 11.084 5.299 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.851 9.482 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.323 11.350 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.679 12.353 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.640 10.926 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.094 9.719 2.495 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.358 10.373 1.224 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.419 10.831 0.207 1.00 0.00 C ATOM 1104 C ASP A 75 -9.035 11.062 0.808 1.00 0.00 C ATOM 1105 O ASP A 75 -8.380 12.064 0.518 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.928 12.117 -0.444 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.255 11.921 -1.152 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.555 10.774 -1.544 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.995 12.915 -1.313 1.00 0.00 O ATOM 0 H ASP A 75 -11.781 9.465 1.029 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.339 10.055 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.037 12.889 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.188 12.477 -1.159 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.596 10.128 1.646 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.289 10.231 2.288 1.00 0.00 C ATOM 1116 C CYS A 76 -6.497 8.939 2.119 1.00 0.00 C ATOM 1117 O CYS A 76 -5.418 8.933 1.529 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.453 10.553 3.773 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.848 12.285 4.114 1.00 0.00 S ATOM 0 H CYS A 76 -9.125 9.292 1.896 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.737 11.039 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.242 9.924 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.532 10.292 4.294 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.032 12.559 3.652 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.042 7.845 2.643 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.372 6.561 2.540 1.00 0.00 C ATOM 1127 C GLY A 77 -6.122 6.150 1.103 1.00 0.00 C ATOM 1128 O GLY A 77 -7.002 6.277 0.252 1.00 0.00 O ATOM 0 H GLY A 77 -7.934 7.825 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.422 6.607 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.976 5.799 3.032 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.919 5.654 0.831 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.557 5.223 -0.514 1.00 0.00 C ATOM 1134 C VAL A 78 -3.573 4.058 -0.472 1.00 0.00 C ATOM 1135 O VAL A 78 -2.676 4.021 0.370 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.934 6.374 -1.325 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -4.969 7.455 -1.600 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.731 6.953 -0.596 1.00 0.00 C ATOM 0 H VAL A 78 -4.179 5.541 1.524 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.478 4.902 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.593 5.976 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.510 8.260 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.797 7.030 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.342 7.850 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.305 7.765 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.044 7.335 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.981 6.174 -0.456 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.749 3.109 -1.385 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.877 1.943 -1.453 1.00 0.00 C ATOM 1150 C PHE A 79 -1.910 2.056 -2.628 1.00 0.00 C ATOM 1151 O PHE A 79 -2.324 2.274 -3.766 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.709 0.665 -1.581 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.963 -0.020 -0.269 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.908 -0.422 0.535 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.258 -0.263 0.161 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.139 -1.052 1.742 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.495 -0.894 1.368 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.434 -1.289 2.159 1.00 0.00 C ATOM 0 H PHE A 79 -4.488 3.125 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.297 1.899 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.665 0.908 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.197 -0.027 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.893 -0.240 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.091 0.044 -0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.308 -1.359 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.509 -1.078 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.617 -1.782 3.102 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.620 1.908 -2.343 1.00 0.00 N ATOM 1169 CA VAL A 80 0.405 1.995 -3.377 1.00 0.00 C ATOM 1170 C VAL A 80 1.609 1.126 -3.031 1.00 0.00 C ATOM 1171 O VAL A 80 1.772 0.700 -1.887 1.00 0.00 O ATOM 1172 CB VAL A 80 0.874 3.447 -3.580 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.254 4.301 -4.137 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.398 4.025 -2.274 1.00 0.00 C ATOM 0 H VAL A 80 -0.260 1.727 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.045 1.634 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 80 1.689 3.449 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.097 5.324 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.576 3.897 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.093 4.295 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.725 5.052 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.606 4.010 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.239 3.427 -1.923 1.00 0.00 H new ATOM 1184 N ALA A 81 2.451 0.868 -4.026 1.00 0.00 N ATOM 1185 CA ALA A 81 3.641 0.050 -3.827 1.00 0.00 C ATOM 1186 C ALA A 81 4.750 0.849 -3.151 1.00 0.00 C ATOM 1187 O ALA A 81 4.763 2.079 -3.203 1.00 0.00 O ATOM 1188 CB ALA A 81 4.124 -0.508 -5.157 1.00 0.00 C ATOM 0 H ALA A 81 2.331 1.214 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 81 3.377 -0.780 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.013 -1.117 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.340 -1.122 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.366 0.314 -5.830 1.00 0.00 H new ATOM 1194 N LEU A 82 5.682 0.141 -2.518 1.00 0.00 N ATOM 1195 CA LEU A 82 6.799 0.783 -1.831 1.00 0.00 C ATOM 1196 C LEU A 82 7.494 1.788 -2.745 1.00 0.00 C ATOM 1197 O LEU A 82 7.809 2.903 -2.333 1.00 0.00 O ATOM 1198 CB LEU A 82 7.802 -0.268 -1.352 1.00 0.00 C ATOM 1199 CG LEU A 82 9.008 0.286 -0.591 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.681 0.444 0.885 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.216 -0.617 -0.778 1.00 0.00 C ATOM 0 H LEU A 82 5.686 -0.878 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 82 6.404 1.318 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.282 -0.978 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.162 -0.825 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 82 9.249 1.269 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.551 0.839 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.844 1.132 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.414 -0.526 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.065 -0.208 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.987 -1.614 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.464 -0.678 -1.838 1.00 0.00 H new ATOM 1213 N ASP A 83 7.722 1.383 -3.991 1.00 0.00 N ATOM 1214 CA ASP A 83 8.372 2.248 -4.968 1.00 0.00 C ATOM 1215 C ASP A 83 7.594 3.549 -5.134 1.00 0.00 C ATOM 1216 O ASP A 83 8.169 4.593 -5.444 1.00 0.00 O ATOM 1217 CB ASP A 83 8.490 1.533 -6.315 1.00 0.00 C ATOM 1218 CG ASP A 83 9.250 2.353 -7.339 1.00 0.00 C ATOM 1219 OD1 ASP A 83 8.640 3.261 -7.944 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.454 2.089 -7.536 1.00 0.00 O ATOM 0 H ASP A 83 7.466 0.462 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 83 9.372 2.484 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.993 0.577 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.492 1.315 -6.696 1.00 0.00 H new ATOM 1225 N LYS A 84 6.284 3.480 -4.921 1.00 0.00 N ATOM 1226 CA LYS A 84 5.428 4.653 -5.043 1.00 0.00 C ATOM 1227 C LYS A 84 5.527 5.527 -3.796 1.00 0.00 C ATOM 1228 O LYS A 84 5.295 6.735 -3.854 1.00 0.00 O ATOM 1229 CB LYS A 84 3.975 4.232 -5.272 1.00 0.00 C ATOM 1230 CG LYS A 84 3.745 3.540 -6.605 1.00 0.00 C ATOM 1231 CD LYS A 84 3.187 4.500 -7.644 1.00 0.00 C ATOM 1232 CE LYS A 84 1.672 4.407 -7.737 1.00 0.00 C ATOM 1233 NZ LYS A 84 1.223 3.997 -9.095 1.00 0.00 N ATOM 0 H LYS A 84 5.793 2.624 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 84 5.768 5.233 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.668 3.564 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.337 5.114 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.684 3.119 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.054 2.708 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.474 5.520 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.626 4.279 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.307 3.690 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.233 5.373 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.185 3.945 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.550 4.695 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.621 3.064 -9.325 1.00 0.00 H new ATOM 1247 N LEU A 85 5.870 4.908 -2.669 1.00 0.00 N ATOM 1248 CA LEU A 85 5.998 5.634 -1.410 1.00 0.00 C ATOM 1249 C LEU A 85 7.359 6.315 -1.309 1.00 0.00 C ATOM 1250 O LEU A 85 8.399 5.669 -1.439 1.00 0.00 O ATOM 1251 CB LEU A 85 5.802 4.682 -0.227 1.00 0.00 C ATOM 1252 CG LEU A 85 4.428 4.016 -0.155 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.343 3.099 1.055 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.329 5.067 -0.105 1.00 0.00 C ATOM 0 H LEU A 85 6.064 3.909 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 85 5.225 6.402 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.564 3.904 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.970 5.235 0.697 1.00 0.00 H new ATOM 0 HG LEU A 85 4.289 3.414 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.358 2.633 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.107 2.326 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.503 3.680 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.357 4.575 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.465 5.694 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.376 5.686 -1.001 1.00 0.00 H new ATOM 1266 N GLU A 86 7.344 7.624 -1.078 1.00 0.00 N ATOM 1267 CA GLU A 86 8.577 8.395 -0.959 1.00 0.00 C ATOM 1268 C GLU A 86 8.769 8.898 0.468 1.00 0.00 C ATOM 1269 O GLU A 86 8.072 9.809 0.914 1.00 0.00 O ATOM 1270 CB GLU A 86 8.559 9.577 -1.931 1.00 0.00 C ATOM 1271 CG GLU A 86 9.929 9.929 -2.486 1.00 0.00 C ATOM 1272 CD GLU A 86 10.647 10.968 -1.648 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.962 11.738 -0.941 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.894 11.014 -1.700 1.00 0.00 O ATOM 0 H GLU A 86 6.491 8.173 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 86 9.412 7.740 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.889 9.345 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.147 10.449 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.538 9.027 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.820 10.301 -3.505 1.00 0.00 H new ATOM 1281 N LEU A 87 9.719 8.299 1.179 1.00 0.00 N ATOM 1282 CA LEU A 87 10.002 8.687 2.556 1.00 0.00 C ATOM 1283 C LEU A 87 10.426 10.150 2.633 1.00 0.00 C ATOM 1284 O LEU A 87 11.289 10.597 1.877 1.00 0.00 O ATOM 1285 CB LEU A 87 11.097 7.796 3.144 1.00 0.00 C ATOM 1286 CG LEU A 87 11.355 7.989 4.639 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.079 7.763 5.435 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.455 7.051 5.115 1.00 0.00 C ATOM 0 H LEU A 87 10.305 7.544 0.825 1.00 0.00 H new ATOM 0 HA LEU A 87 9.089 8.561 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.830 6.754 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.025 7.982 2.604 1.00 0.00 H new ATOM 0 HG LEU A 87 11.683 9.016 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.282 7.905 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.319 8.474 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.720 6.748 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.626 7.202 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.154 6.018 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.374 7.260 4.567 1.00 0.00 H new ATOM 1300 N ILE A 88 9.812 10.892 3.549 1.00 0.00 N ATOM 1301 CA ILE A 88 10.126 12.304 3.724 1.00 0.00 C ATOM 1302 C ILE A 88 11.306 12.491 4.673 1.00 0.00 C ATOM 1303 O ILE A 88 11.428 11.783 5.673 1.00 0.00 O ATOM 1304 CB ILE A 88 8.914 13.086 4.269 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.671 12.800 3.425 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.212 14.578 4.292 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.406 12.655 4.242 1.00 0.00 C ATOM 0 H ILE A 88 9.094 10.538 4.181 1.00 0.00 H new ATOM 0 HA ILE A 88 10.388 12.694 2.741 1.00 0.00 H new ATOM 0 HB ILE A 88 8.720 12.758 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.538 13.607 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.832 11.886 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.347 15.116 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.073 14.767 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.430 14.921 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.565 12.453 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.519 11.830 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.221 13.577 4.792 1.00 0.00 H new ATOM 1319 N GLU A 89 12.170 13.447 4.352 1.00 0.00 N ATOM 1320 CA GLU A 89 13.340 13.727 5.176 1.00 0.00 C ATOM 1321 C GLU A 89 13.771 15.184 5.030 1.00 0.00 C ATOM 1322 O GLU A 89 13.933 15.686 3.917 1.00 0.00 O ATOM 1323 CB GLU A 89 14.494 12.797 4.792 1.00 0.00 C ATOM 1324 CG GLU A 89 14.751 11.697 5.810 1.00 0.00 C ATOM 1325 CD GLU A 89 15.043 10.359 5.159 1.00 0.00 C ATOM 1326 OE1 GLU A 89 16.115 10.224 4.533 1.00 0.00 O ATOM 1327 OE2 GLU A 89 14.199 9.445 5.277 1.00 0.00 O ATOM 0 H GLU A 89 12.083 14.041 3.527 1.00 0.00 H new ATOM 0 HA GLU A 89 13.073 13.550 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.278 12.343 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.402 13.388 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.592 11.981 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.882 11.599 6.461 1.00 0.00 H new ATOM 1334 N SER A 90 13.957 15.857 6.161 1.00 0.00 N ATOM 1335 CA SER A 90 14.371 17.255 6.160 1.00 0.00 C ATOM 1336 C SER A 90 15.890 17.372 6.088 1.00 0.00 C ATOM 1337 O SER A 90 16.426 18.157 5.306 1.00 0.00 O ATOM 1338 CB SER A 90 13.851 17.963 7.412 1.00 0.00 C ATOM 1339 OG SER A 90 14.248 19.324 7.430 1.00 0.00 O ATOM 0 H SER A 90 13.827 15.456 7.090 1.00 0.00 H new ATOM 0 HA SER A 90 13.946 17.734 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.763 17.898 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.228 17.459 8.302 1.00 0.00 H new ATOM 0 HG SER A 90 13.902 19.755 8.239 1.00 0.00 H new ATOM 1345 N GLY A 91 16.578 16.586 6.911 1.00 0.00 N ATOM 1346 CA GLY A 91 18.029 16.617 6.925 1.00 0.00 C ATOM 1347 C GLY A 91 18.627 15.437 7.667 1.00 0.00 C ATOM 1348 O GLY A 91 17.955 14.426 7.873 1.00 0.00 O ATOM 0 H GLY A 91 16.157 15.929 7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.399 16.623 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.365 17.543 7.391 1.00 0.00 H new ATOM 1352 N PRO A 92 19.901 15.536 8.085 1.00 0.00 N ATOM 1353 CA PRO A 92 20.580 14.458 8.811 1.00 0.00 C ATOM 1354 C PRO A 92 19.782 13.980 10.019 1.00 0.00 C ATOM 1355 O PRO A 92 19.699 12.782 10.287 1.00 0.00 O ATOM 1356 CB PRO A 92 21.893 15.102 9.259 1.00 0.00 C ATOM 1357 CG PRO A 92 22.136 16.194 8.276 1.00 0.00 C ATOM 1358 CD PRO A 92 20.777 16.705 7.883 1.00 0.00 C ATOM 0 HA PRO A 92 20.715 13.572 8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 92 21.816 15.493 10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 92 22.709 14.379 9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 92 22.740 16.988 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 92 22.680 15.824 7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 92 20.471 17.548 8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.760 17.046 6.848 1.00 0.00 H new ATOM 1366 N SER A 93 19.194 14.926 10.745 1.00 0.00 N ATOM 1367 CA SER A 93 18.402 14.601 11.926 1.00 0.00 C ATOM 1368 C SER A 93 16.992 15.174 11.809 1.00 0.00 C ATOM 1369 O SER A 93 16.785 16.376 11.963 1.00 0.00 O ATOM 1370 CB SER A 93 19.080 15.141 13.186 1.00 0.00 C ATOM 1371 OG SER A 93 20.486 15.199 13.023 1.00 0.00 O ATOM 0 H SER A 93 19.251 15.923 10.536 1.00 0.00 H new ATOM 0 HA SER A 93 18.331 13.516 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.696 16.136 13.412 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.835 14.504 14.036 1.00 0.00 H new ATOM 0 HG SER A 93 20.896 15.549 13.841 1.00 0.00 H new ATOM 1377 N SER A 94 16.026 14.301 11.536 1.00 0.00 N ATOM 1378 CA SER A 94 14.636 14.720 11.399 1.00 0.00 C ATOM 1379 C SER A 94 13.724 13.516 11.187 1.00 0.00 C ATOM 1380 O SER A 94 12.652 13.423 11.784 1.00 0.00 O ATOM 1381 CB SER A 94 14.488 15.697 10.231 1.00 0.00 C ATOM 1382 OG SER A 94 15.119 15.199 9.065 1.00 0.00 O ATOM 0 H SER A 94 16.181 13.301 11.406 1.00 0.00 H new ATOM 0 HA SER A 94 14.341 15.220 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.431 15.870 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.923 16.659 10.501 1.00 0.00 H new ATOM 0 HG SER A 94 14.564 14.496 8.667 1.00 0.00 H new ATOM 1388 N GLY A 95 14.158 12.595 10.333 1.00 0.00 N ATOM 1389 CA GLY A 95 13.369 11.409 10.057 1.00 0.00 C ATOM 1390 C GLY A 95 13.488 10.367 11.151 1.00 0.00 C ATOM 1391 O GLY A 95 14.303 9.432 10.996 1.00 0.00 O ATOM 1392 OXT GLY A 95 12.766 10.484 12.164 1.00 0.00 O ATOM 0 H GLY A 95 15.042 12.649 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.323 11.691 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.690 10.975 9.110 1.00 0.00 H new TER 1396 GLY A 95