USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 66 HIS :FLIP no HD1:sc= -15.8! C(o=-28!,f=-24!) USER MOD Set 1.2: A 90 MET CE :methyl 176:sc= -8.45! (180deg=-8.12!) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= -6.12! (180deg=-7.77!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 15 THR OG1 : rot -45:sc= 0.464 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0396 F(o=-1.2!,f=-0.04) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -31:sc= -0.905 USER MOD Single : A 25 ASN : amide:sc=-0.00534 X(o=-0.0053,f=-0.069) USER MOD Single : A 27 ASN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -63:sc= 0.148 USER MOD Single : A 46 ASN :FLIP amide:sc= -7.64! C(o=-16!,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 51 THR OG1 : rot -61:sc= -0.373 USER MOD Single : A 54 THR OG1 : rot -108:sc= 2.03 USER MOD Single : A 57 HIS : no HD1:sc= -4.03! C(o=-4!,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 147:sc= -0.225 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -133:sc= -14.2! (180deg=-20.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.553) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -144:sc= -1.2 (180deg=-2.37!) USER MOD Single : A 92 SER OG : rot 95:sc= -6.23! USER MOD Single : A 94 THR OG1 : rot 10:sc= 0.765! USER MOD Single : A 99 ASN : amide:sc= -14.1! C(o=-14!,f=-22!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0147 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.658 -3.408 -2.569 1.00 0.00 N ATOM 78 CA LEU A 5 12.245 -3.750 -3.850 1.00 0.00 C ATOM 79 C LEU A 5 13.542 -2.979 -4.045 1.00 0.00 C ATOM 80 O LEU A 5 13.608 -1.786 -3.755 1.00 0.00 O ATOM 81 CB LEU A 5 11.253 -3.432 -4.965 1.00 0.00 C ATOM 82 CG LEU A 5 10.281 -4.597 -5.129 1.00 0.00 C ATOM 83 CD1 LEU A 5 11.065 -5.904 -5.217 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.340 -4.648 -3.929 1.00 0.00 C ATOM 0 HA LEU A 5 12.472 -4.816 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.706 -2.519 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.785 -3.254 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 5 9.699 -4.460 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.372 -6.737 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.737 -5.868 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.647 -6.041 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.646 -5.480 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.921 -4.786 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.780 -3.715 -3.866 1.00 0.00 H new ATOM 96 N CYS A 6 14.575 -3.663 -4.542 1.00 0.00 N ATOM 97 CA CYS A 6 15.864 -3.042 -4.775 1.00 0.00 C ATOM 98 C CYS A 6 16.547 -3.704 -5.963 1.00 0.00 C ATOM 99 O CYS A 6 16.269 -4.860 -6.276 1.00 0.00 O ATOM 100 CB CYS A 6 16.722 -3.165 -3.519 1.00 0.00 C ATOM 101 SG CYS A 6 15.973 -2.435 -2.042 1.00 0.00 S ATOM 0 H CYS A 6 14.535 -4.652 -4.789 1.00 0.00 H new ATOM 0 HA CYS A 6 15.728 -1.985 -5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.921 -4.220 -3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.684 -2.686 -3.700 1.00 0.00 H new ATOM 106 N LYS A 7 17.443 -2.969 -6.624 1.00 0.00 N ATOM 107 CA LYS A 7 18.159 -3.488 -7.773 1.00 0.00 C ATOM 108 C LYS A 7 19.294 -4.390 -7.309 1.00 0.00 C ATOM 109 O LYS A 7 20.259 -3.922 -6.709 1.00 0.00 O ATOM 110 CB LYS A 7 18.696 -2.327 -8.604 1.00 0.00 C ATOM 111 CG LYS A 7 17.533 -1.593 -9.264 1.00 0.00 C ATOM 112 CD LYS A 7 17.793 -1.468 -10.762 1.00 0.00 C ATOM 113 CE LYS A 7 16.796 -0.485 -11.371 1.00 0.00 C ATOM 114 NZ LYS A 7 17.355 0.156 -12.572 1.00 0.00 N ATOM 0 H LYS A 7 17.685 -2.010 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 7 17.483 -4.078 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.259 -1.642 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.384 -2.697 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.603 -2.133 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.415 -0.604 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.812 -1.124 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.698 -2.442 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.875 -1.008 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.535 0.276 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.148 1.175 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.385 0.013 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.928 -0.266 -13.421 1.00 0.00 H new ATOM 128 N PHE A 8 19.178 -5.690 -7.590 1.00 0.00 N ATOM 129 CA PHE A 8 20.192 -6.649 -7.203 1.00 0.00 C ATOM 130 C PHE A 8 20.924 -7.154 -8.439 1.00 0.00 C ATOM 131 O PHE A 8 20.633 -8.241 -8.934 1.00 0.00 O ATOM 132 CB PHE A 8 19.537 -7.804 -6.451 1.00 0.00 C ATOM 133 CG PHE A 8 20.492 -8.558 -5.555 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.318 -9.552 -6.092 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.551 -8.260 -4.189 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.204 -10.249 -5.262 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.438 -8.957 -3.359 1.00 0.00 C ATOM 138 CZ PHE A 8 22.263 -9.952 -3.895 1.00 0.00 C ATOM 0 H PHE A 8 18.385 -6.095 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 8 20.919 -6.171 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.716 -7.416 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.103 -8.497 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.272 -9.781 -7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.913 -7.493 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.842 -11.016 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.485 -8.726 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.945 -10.491 -3.254 1.00 0.00 H new ATOM 148 N CYS A 9 21.877 -6.362 -8.935 1.00 0.00 N ATOM 149 CA CYS A 9 22.645 -6.730 -10.107 1.00 0.00 C ATOM 150 C CYS A 9 24.120 -6.828 -9.745 1.00 0.00 C ATOM 151 O CYS A 9 24.599 -6.098 -8.880 1.00 0.00 O ATOM 152 CB CYS A 9 22.424 -5.694 -11.206 1.00 0.00 C ATOM 153 SG CYS A 9 23.625 -4.341 -11.192 1.00 0.00 S ATOM 0 H CYS A 9 22.130 -5.459 -8.534 1.00 0.00 H new ATOM 0 HA CYS A 9 22.315 -7.702 -10.473 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.464 -6.192 -12.175 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.422 -5.278 -11.103 1.00 0.00 H new ATOM 158 N ASP A 10 24.841 -7.732 -10.412 1.00 0.00 N ATOM 159 CA ASP A 10 26.256 -7.920 -10.157 1.00 0.00 C ATOM 160 C ASP A 10 27.034 -6.712 -10.657 1.00 0.00 C ATOM 161 O ASP A 10 26.499 -5.891 -11.399 1.00 0.00 O ATOM 162 CB ASP A 10 26.730 -9.195 -10.850 1.00 0.00 C ATOM 163 CG ASP A 10 25.621 -10.237 -10.893 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.253 -10.718 -9.800 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.163 -10.531 -12.018 1.00 0.00 O ATOM 0 H ASP A 10 24.459 -8.343 -11.134 1.00 0.00 H new ATOM 0 HA ASP A 10 26.428 -8.019 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.055 -8.963 -11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.594 -9.600 -10.323 1.00 0.00 H new ATOM 170 N VAL A 11 28.300 -6.605 -10.249 1.00 0.00 N ATOM 171 CA VAL A 11 29.144 -5.500 -10.657 1.00 0.00 C ATOM 172 C VAL A 11 29.645 -5.730 -12.075 1.00 0.00 C ATOM 173 O VAL A 11 30.414 -6.657 -12.322 1.00 0.00 O ATOM 174 CB VAL A 11 30.313 -5.368 -9.685 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.437 -6.647 -8.862 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.602 -5.140 -10.468 1.00 0.00 C ATOM 0 H VAL A 11 28.757 -7.278 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 11 28.570 -4.574 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 11 30.138 -4.523 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.272 -6.553 -8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.516 -6.810 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.612 -7.492 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.437 -5.046 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 11 31.777 -5.985 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.514 -4.226 -11.056 1.00 0.00 H new ATOM 186 N LYS A 12 29.208 -4.882 -13.009 1.00 0.00 N ATOM 187 CA LYS A 12 29.615 -4.998 -14.395 1.00 0.00 C ATOM 188 C LYS A 12 30.084 -3.646 -14.912 1.00 0.00 C ATOM 189 O LYS A 12 29.774 -2.612 -14.325 1.00 0.00 O ATOM 190 CB LYS A 12 28.445 -5.518 -15.226 1.00 0.00 C ATOM 191 CG LYS A 12 27.468 -6.262 -14.319 1.00 0.00 C ATOM 192 CD LYS A 12 26.855 -7.432 -15.082 1.00 0.00 C ATOM 193 CE LYS A 12 25.539 -6.991 -15.716 1.00 0.00 C ATOM 194 NZ LYS A 12 25.628 -7.010 -17.185 1.00 0.00 N ATOM 0 H LYS A 12 28.571 -4.108 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 12 30.443 -5.702 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 12 27.939 -4.689 -15.721 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.809 -6.183 -16.010 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.984 -6.624 -13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 12 26.684 -5.585 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.544 -7.779 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.683 -8.270 -14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 12 24.735 -7.650 -15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.286 -5.986 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.720 -6.706 -17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.381 -6.363 -17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.846 -7.975 -17.507 1.00 0.00 H new ATOM 208 N ALA A 13 30.835 -3.656 -16.016 1.00 0.00 N ATOM 209 CA ALA A 13 31.344 -2.435 -16.607 1.00 0.00 C ATOM 210 C ALA A 13 30.195 -1.476 -16.879 1.00 0.00 C ATOM 211 O ALA A 13 29.354 -1.737 -17.736 1.00 0.00 O ATOM 212 CB ALA A 13 32.089 -2.767 -17.896 1.00 0.00 C ATOM 0 H ALA A 13 31.100 -4.506 -16.514 1.00 0.00 H new ATOM 0 HA ALA A 13 32.037 -1.953 -15.917 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.472 -1.849 -18.341 1.00 0.00 H new ATOM 0 HB2 ALA A 13 32.920 -3.437 -17.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.408 -3.253 -18.595 1.00 0.00 H new ATOM 218 N THR A 14 30.159 -0.361 -16.145 1.00 0.00 N ATOM 219 CA THR A 14 29.113 0.628 -16.314 1.00 0.00 C ATOM 220 C THR A 14 29.666 1.850 -17.031 1.00 0.00 C ATOM 221 O THR A 14 30.843 2.178 -16.893 1.00 0.00 O ATOM 222 CB THR A 14 28.551 1.010 -14.948 1.00 0.00 C ATOM 223 OG1 THR A 14 27.497 1.931 -15.114 1.00 0.00 O ATOM 224 CG2 THR A 14 29.653 1.647 -14.104 1.00 0.00 C ATOM 0 H THR A 14 30.847 -0.128 -15.429 1.00 0.00 H new ATOM 0 HA THR A 14 28.309 0.211 -16.920 1.00 0.00 H new ATOM 0 HB THR A 14 28.178 0.117 -14.447 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.135 2.175 -14.237 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.252 1.920 -13.128 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.469 0.936 -13.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.025 2.540 -14.606 1.00 0.00 H new ATOM 232 N THR A 15 28.811 2.528 -17.801 1.00 0.00 N ATOM 233 CA THR A 15 29.219 3.710 -18.533 1.00 0.00 C ATOM 234 C THR A 15 28.644 4.954 -17.870 1.00 0.00 C ATOM 235 O THR A 15 28.545 6.006 -18.498 1.00 0.00 O ATOM 236 CB THR A 15 28.743 3.599 -19.979 1.00 0.00 C ATOM 237 OG1 THR A 15 29.362 4.601 -20.755 1.00 0.00 O ATOM 238 CG2 THR A 15 27.228 3.778 -20.031 1.00 0.00 C ATOM 0 H THR A 15 27.832 2.271 -17.928 1.00 0.00 H new ATOM 0 HA THR A 15 30.306 3.790 -18.526 1.00 0.00 H new ATOM 0 HB THR A 15 29.006 2.618 -20.375 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.330 5.454 -20.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.887 3.699 -21.063 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.749 3.004 -19.431 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.964 4.759 -19.636 1.00 0.00 H new ATOM 246 N CYS A 16 28.267 4.831 -16.596 1.00 0.00 N ATOM 247 CA CYS A 16 27.707 5.941 -15.852 1.00 0.00 C ATOM 248 C CYS A 16 28.828 6.821 -15.317 1.00 0.00 C ATOM 249 O CYS A 16 29.851 6.316 -14.858 1.00 0.00 O ATOM 250 CB CYS A 16 26.847 5.405 -14.711 1.00 0.00 C ATOM 251 SG CYS A 16 25.196 6.143 -14.625 1.00 0.00 S ATOM 0 H CYS A 16 28.343 3.965 -16.063 1.00 0.00 H new ATOM 0 HA CYS A 16 27.080 6.545 -16.508 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.746 4.325 -14.822 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.363 5.582 -13.767 1.00 0.00 H new ATOM 256 N SER A 17 28.634 8.140 -15.377 1.00 0.00 N ATOM 257 CA SER A 17 29.628 9.080 -14.899 1.00 0.00 C ATOM 258 C SER A 17 29.155 9.713 -13.598 1.00 0.00 C ATOM 259 O SER A 17 27.956 9.790 -13.340 1.00 0.00 O ATOM 260 CB SER A 17 29.870 10.147 -15.962 1.00 0.00 C ATOM 261 OG SER A 17 30.723 9.630 -16.960 1.00 0.00 O ATOM 0 H SER A 17 27.792 8.574 -15.755 1.00 0.00 H new ATOM 0 HA SER A 17 30.565 8.558 -14.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.923 10.458 -16.403 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.317 11.032 -15.509 1.00 0.00 H new ATOM 0 HG SER A 17 30.878 10.314 -17.644 1.00 0.00 H new ATOM 267 N ASN A 18 30.104 10.168 -12.776 1.00 0.00 N ATOM 268 CA ASN A 18 29.781 10.792 -11.508 1.00 0.00 C ATOM 269 C ASN A 18 29.023 12.091 -11.748 1.00 0.00 C ATOM 270 O ASN A 18 29.540 13.173 -11.480 1.00 0.00 O ATOM 271 CB ASN A 18 31.067 11.052 -10.728 1.00 0.00 C ATOM 272 CG ASN A 18 32.185 11.498 -11.659 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.947 10.536 -12.183 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 32.357 12.692 -11.897 1.00 0.00 N flip ATOM 0 H ASN A 18 31.103 10.112 -12.974 1.00 0.00 H new ATOM 0 HA ASN A 18 29.145 10.127 -10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.890 11.817 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.367 10.146 -10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 18 31.747 13.390 -11.471 1.00 0.00 H new ATOM 0 HD22 ASN A 18 33.110 12.985 -12.520 1.00 0.00 H new ATOM 281 N GLN A 19 27.794 11.980 -12.254 1.00 0.00 N ATOM 282 CA GLN A 19 26.972 13.142 -12.527 1.00 0.00 C ATOM 283 C GLN A 19 25.900 13.281 -11.456 1.00 0.00 C ATOM 284 O GLN A 19 25.656 12.348 -10.693 1.00 0.00 O ATOM 285 CB GLN A 19 26.340 13.002 -13.910 1.00 0.00 C ATOM 286 CG GLN A 19 25.383 14.165 -14.152 1.00 0.00 C ATOM 287 CD GLN A 19 24.782 14.091 -15.548 1.00 0.00 C ATOM 288 OE1 GLN A 19 25.449 13.671 -16.492 1.00 0.00 O ATOM 289 NE2 GLN A 19 23.519 14.502 -15.680 1.00 0.00 N ATOM 0 H GLN A 19 27.351 11.090 -12.481 1.00 0.00 H new ATOM 0 HA GLN A 19 27.589 14.040 -12.512 1.00 0.00 H new ATOM 0 HB2 GLN A 19 27.115 12.990 -14.676 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.805 12.055 -13.983 1.00 0.00 H new ATOM 0 HG2 GLN A 19 24.587 14.147 -13.407 1.00 0.00 H new ATOM 0 HG3 GLN A 19 25.913 15.109 -14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 19 23.006 14.842 -14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 19 23.067 14.476 -16.594 1.00 0.00 H new ATOM 298 N ASP A 20 25.258 14.450 -11.401 1.00 0.00 N ATOM 299 CA ASP A 20 24.217 14.705 -10.425 1.00 0.00 C ATOM 300 C ASP A 20 23.312 13.487 -10.307 1.00 0.00 C ATOM 301 O ASP A 20 22.872 13.141 -9.213 1.00 0.00 O ATOM 302 CB ASP A 20 23.418 15.935 -10.845 1.00 0.00 C ATOM 303 CG ASP A 20 23.533 17.039 -9.803 1.00 0.00 C ATOM 304 OD1 ASP A 20 24.495 17.829 -9.918 1.00 0.00 O ATOM 305 OD2 ASP A 20 22.656 17.072 -8.914 1.00 0.00 O ATOM 0 H ASP A 20 25.448 15.233 -12.027 1.00 0.00 H new ATOM 0 HA ASP A 20 24.665 14.895 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.780 16.298 -11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.371 15.665 -10.980 1.00 0.00 H new ATOM 310 N GLN A 21 23.033 12.836 -11.440 1.00 0.00 N ATOM 311 CA GLN A 21 22.182 11.664 -11.457 1.00 0.00 C ATOM 312 C GLN A 21 22.730 10.642 -12.443 1.00 0.00 C ATOM 313 O GLN A 21 23.059 10.984 -13.576 1.00 0.00 O ATOM 314 CB GLN A 21 20.762 12.074 -11.836 1.00 0.00 C ATOM 315 CG GLN A 21 19.809 10.911 -11.576 1.00 0.00 C ATOM 316 CD GLN A 21 18.368 11.321 -11.840 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.901 12.329 -11.316 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.661 10.534 -12.656 1.00 0.00 N ATOM 0 H GLN A 21 23.390 13.110 -12.355 1.00 0.00 H new ATOM 0 HA GLN A 21 22.163 11.209 -10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.457 12.945 -11.256 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.723 12.362 -12.887 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.074 10.068 -12.214 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.912 10.574 -10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.093 9.707 -13.068 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.689 10.760 -12.867 1.00 0.00 H new ATOM 327 N CYS A 22 22.828 9.384 -12.008 1.00 0.00 N ATOM 328 CA CYS A 22 23.333 8.319 -12.851 1.00 0.00 C ATOM 329 C CYS A 22 22.483 7.070 -12.668 1.00 0.00 C ATOM 330 O CYS A 22 21.769 6.941 -11.676 1.00 0.00 O ATOM 331 CB CYS A 22 24.790 8.038 -12.495 1.00 0.00 C ATOM 332 SG CYS A 22 25.902 8.001 -13.923 1.00 0.00 S ATOM 0 H CYS A 22 22.560 9.085 -11.070 1.00 0.00 H new ATOM 0 HA CYS A 22 23.280 8.621 -13.897 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.136 8.800 -11.797 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.849 7.081 -11.977 1.00 0.00 H new ATOM 337 N THR A 23 22.559 6.148 -13.631 1.00 0.00 N ATOM 338 CA THR A 23 21.797 4.917 -13.568 1.00 0.00 C ATOM 339 C THR A 23 22.739 3.731 -13.415 1.00 0.00 C ATOM 340 O THR A 23 23.870 3.765 -13.894 1.00 0.00 O ATOM 341 CB THR A 23 20.953 4.778 -14.833 1.00 0.00 C ATOM 342 OG1 THR A 23 20.116 5.904 -14.965 1.00 0.00 O ATOM 343 CG2 THR A 23 20.099 3.517 -14.738 1.00 0.00 C ATOM 0 H THR A 23 23.144 6.239 -14.461 1.00 0.00 H new ATOM 0 HA THR A 23 21.134 4.940 -12.703 1.00 0.00 H new ATOM 0 HB THR A 23 21.608 4.709 -15.702 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.575 5.816 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.496 3.417 -15.641 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.746 2.646 -14.636 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.444 3.586 -13.870 1.00 0.00 H new ATOM 351 N SER A 24 22.267 2.679 -12.744 1.00 0.00 N ATOM 352 CA SER A 24 23.065 1.488 -12.531 1.00 0.00 C ATOM 353 C SER A 24 23.002 0.597 -13.764 1.00 0.00 C ATOM 354 O SER A 24 23.858 -0.264 -13.956 1.00 0.00 O ATOM 355 CB SER A 24 22.553 0.746 -11.300 1.00 0.00 C ATOM 356 OG SER A 24 21.327 0.118 -11.606 1.00 0.00 O ATOM 0 H SER A 24 21.331 2.636 -12.340 1.00 0.00 H new ATOM 0 HA SER A 24 24.105 1.768 -12.363 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.284 0.004 -10.979 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.421 1.442 -10.472 1.00 0.00 H new ATOM 0 HG SER A 24 20.846 0.648 -12.276 1.00 0.00 H new ATOM 362 N ASN A 25 21.983 0.807 -14.600 1.00 0.00 N ATOM 363 CA ASN A 25 21.815 0.025 -15.808 1.00 0.00 C ATOM 364 C ASN A 25 21.331 -1.375 -15.457 1.00 0.00 C ATOM 365 O ASN A 25 21.082 -2.191 -16.342 1.00 0.00 O ATOM 366 CB ASN A 25 23.141 -0.036 -16.562 1.00 0.00 C ATOM 367 CG ASN A 25 22.919 -0.402 -18.022 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.001 -1.572 -18.390 1.00 0.00 O ATOM 369 ND2 ASN A 25 22.636 0.602 -18.856 1.00 0.00 N ATOM 0 H ASN A 25 21.264 1.516 -14.454 1.00 0.00 H new ATOM 0 HA ASN A 25 21.068 0.495 -16.447 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.645 0.928 -16.497 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.796 -0.771 -16.094 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.477 0.413 -19.846 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.579 1.557 -18.503 1.00 0.00 H new ATOM 376 N CYS A 26 21.197 -1.651 -14.157 1.00 0.00 N ATOM 377 CA CYS A 26 20.744 -2.947 -13.693 1.00 0.00 C ATOM 378 C CYS A 26 19.292 -3.161 -14.101 1.00 0.00 C ATOM 379 O CYS A 26 18.595 -2.209 -14.446 1.00 0.00 O ATOM 380 CB CYS A 26 20.896 -3.024 -12.177 1.00 0.00 C ATOM 381 SG CYS A 26 22.600 -2.828 -11.598 1.00 0.00 S ATOM 0 H CYS A 26 21.399 -0.985 -13.411 1.00 0.00 H new ATOM 0 HA CYS A 26 21.348 -3.733 -14.146 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.277 -2.252 -11.720 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.514 -3.985 -11.832 1.00 0.00 H new ATOM 386 N ASN A 27 18.839 -4.416 -14.062 1.00 0.00 N ATOM 387 CA ASN A 27 17.476 -4.746 -14.427 1.00 0.00 C ATOM 388 C ASN A 27 16.987 -5.923 -13.595 1.00 0.00 C ATOM 389 O ASN A 27 16.445 -6.886 -14.133 1.00 0.00 O ATOM 390 CB ASN A 27 17.415 -5.075 -15.916 1.00 0.00 C ATOM 391 CG ASN A 27 17.150 -3.822 -16.739 1.00 0.00 C ATOM 392 OD1 ASN A 27 18.025 -3.357 -17.465 1.00 0.00 O ATOM 393 ND2 ASN A 27 15.936 -3.278 -16.624 1.00 0.00 N ATOM 0 H ASN A 27 19.405 -5.216 -13.779 1.00 0.00 H new ATOM 0 HA ASN A 27 16.827 -3.893 -14.228 1.00 0.00 H new ATOM 0 HB2 ASN A 27 18.354 -5.530 -16.231 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.629 -5.808 -16.099 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.701 -2.438 -17.153 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.243 -3.702 -16.007 1.00 0.00 H new ATOM 400 N ILE A 28 17.179 -5.842 -12.276 1.00 0.00 N ATOM 401 CA ILE A 28 16.757 -6.895 -11.374 1.00 0.00 C ATOM 402 C ILE A 28 15.998 -6.293 -10.200 1.00 0.00 C ATOM 403 O ILE A 28 16.296 -5.181 -9.770 1.00 0.00 O ATOM 404 CB ILE A 28 17.980 -7.669 -10.889 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.602 -8.423 -12.061 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.558 -8.663 -9.811 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.856 -9.153 -11.587 1.00 0.00 C ATOM 0 H ILE A 28 17.627 -5.050 -11.815 1.00 0.00 H new ATOM 0 HA ILE A 28 16.093 -7.583 -11.896 1.00 0.00 H new ATOM 0 HB ILE A 28 18.710 -6.973 -10.476 1.00 0.00 H new ATOM 0 HG12 ILE A 28 17.886 -9.136 -12.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.853 -7.728 -12.862 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.431 -9.216 -9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.113 -8.125 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.828 -9.359 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.301 -9.692 -12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.573 -8.430 -11.198 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.590 -9.859 -10.800 1.00 0.00 H new ATOM 419 N THR A 29 15.014 -7.032 -9.681 1.00 0.00 N ATOM 420 CA THR A 29 14.222 -6.565 -8.561 1.00 0.00 C ATOM 421 C THR A 29 14.308 -7.561 -7.414 1.00 0.00 C ATOM 422 O THR A 29 13.696 -8.626 -7.464 1.00 0.00 O ATOM 423 CB THR A 29 12.775 -6.376 -9.006 1.00 0.00 C ATOM 424 OG1 THR A 29 12.751 -5.807 -10.297 1.00 0.00 O ATOM 425 CG2 THR A 29 12.057 -5.451 -8.028 1.00 0.00 C ATOM 0 H THR A 29 14.753 -7.956 -10.025 1.00 0.00 H new ATOM 0 HA THR A 29 14.610 -5.608 -8.212 1.00 0.00 H new ATOM 0 HB THR A 29 12.272 -7.343 -9.025 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.822 -5.687 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.023 -5.316 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.075 -5.891 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.559 -4.484 -8.007 1.00 0.00 H new ATOM 433 N SER A 30 15.072 -7.212 -6.376 1.00 0.00 N ATOM 434 CA SER A 30 15.233 -8.074 -5.223 1.00 0.00 C ATOM 435 C SER A 30 14.254 -7.664 -4.132 1.00 0.00 C ATOM 436 O SER A 30 14.187 -6.494 -3.761 1.00 0.00 O ATOM 437 CB SER A 30 16.672 -7.985 -4.720 1.00 0.00 C ATOM 438 OG SER A 30 17.034 -6.632 -4.568 1.00 0.00 O ATOM 0 H SER A 30 15.587 -6.333 -6.319 1.00 0.00 H new ATOM 0 HA SER A 30 15.023 -9.106 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.769 -8.507 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.345 -8.476 -5.423 1.00 0.00 H new ATOM 0 HG SER A 30 17.009 -6.187 -5.441 1.00 0.00 H new ATOM 444 N ILE A 31 13.495 -8.634 -3.615 1.00 0.00 N ATOM 445 CA ILE A 31 12.526 -8.375 -2.570 1.00 0.00 C ATOM 446 C ILE A 31 13.216 -8.400 -1.212 1.00 0.00 C ATOM 447 O ILE A 31 13.892 -9.371 -0.876 1.00 0.00 O ATOM 448 CB ILE A 31 11.417 -9.420 -2.634 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.049 -9.683 -4.091 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.190 -8.906 -1.884 1.00 0.00 C ATOM 451 CD1 ILE A 31 10.143 -10.909 -4.173 1.00 0.00 C ATOM 0 H ILE A 31 13.541 -9.609 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 31 12.084 -7.389 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 31 11.763 -10.346 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.543 -8.814 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.951 -9.844 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.397 -9.652 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.452 -8.718 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.844 -7.980 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.879 -11.098 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.666 -11.776 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.236 -10.730 -3.596 1.00 0.00 H new ATOM 463 N CYS A 32 13.043 -7.331 -0.432 1.00 0.00 N ATOM 464 CA CYS A 32 13.647 -7.237 0.882 1.00 0.00 C ATOM 465 C CYS A 32 12.561 -7.094 1.939 1.00 0.00 C ATOM 466 O CYS A 32 12.691 -6.294 2.862 1.00 0.00 O ATOM 467 CB CYS A 32 14.598 -6.044 0.919 1.00 0.00 C ATOM 468 SG CYS A 32 16.052 -6.229 -0.144 1.00 0.00 S ATOM 0 H CYS A 32 12.485 -6.519 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 32 14.214 -8.144 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.053 -5.149 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.929 -5.888 1.946 1.00 0.00 H new ATOM 538 N GLU A 37 15.658 -4.444 5.127 1.00 0.00 N ATOM 539 CA GLU A 37 16.700 -4.306 4.129 1.00 0.00 C ATOM 540 C GLU A 37 16.430 -3.083 3.263 1.00 0.00 C ATOM 541 O GLU A 37 15.313 -2.573 3.233 1.00 0.00 O ATOM 542 CB GLU A 37 16.755 -5.571 3.276 1.00 0.00 C ATOM 543 CG GLU A 37 18.097 -6.266 3.485 1.00 0.00 C ATOM 544 CD GLU A 37 17.933 -7.521 4.331 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.011 -7.383 5.571 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.734 -8.594 3.722 1.00 0.00 O ATOM 0 HA GLU A 37 17.663 -4.171 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.940 -6.242 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.624 -5.319 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.530 -6.528 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.793 -5.583 3.972 1.00 0.00 H new ATOM 553 N VAL A 38 17.461 -2.615 2.555 1.00 0.00 N ATOM 554 CA VAL A 38 17.334 -1.459 1.692 1.00 0.00 C ATOM 555 C VAL A 38 18.153 -1.668 0.426 1.00 0.00 C ATOM 556 O VAL A 38 18.942 -2.607 0.343 1.00 0.00 O ATOM 557 CB VAL A 38 17.803 -0.213 2.439 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.739 0.203 3.452 1.00 0.00 C ATOM 559 CG2 VAL A 38 19.107 -0.520 3.169 1.00 0.00 C ATOM 0 H VAL A 38 18.394 -3.028 2.569 1.00 0.00 H new ATOM 0 HA VAL A 38 16.290 -1.325 1.408 1.00 0.00 H new ATOM 0 HB VAL A 38 17.966 0.598 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.073 1.093 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.806 0.421 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.577 -0.607 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.443 0.369 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.944 -1.330 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.867 -0.818 2.447 1.00 0.00 H new ATOM 569 N CYS A 39 17.964 -0.790 -0.561 1.00 0.00 N ATOM 570 CA CYS A 39 18.684 -0.881 -1.815 1.00 0.00 C ATOM 571 C CYS A 39 19.963 -0.061 -1.736 1.00 0.00 C ATOM 572 O CYS A 39 19.922 1.130 -1.435 1.00 0.00 O ATOM 573 CB CYS A 39 17.793 -0.383 -2.950 1.00 0.00 C ATOM 574 SG CYS A 39 16.020 -0.527 -2.611 1.00 0.00 S ATOM 0 H CYS A 39 17.313 -0.007 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 39 18.952 -1.919 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 39 18.030 0.661 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 39 18.026 -0.944 -3.855 1.00 0.00 H new ATOM 579 N ALA A 40 21.103 -0.703 -2.005 1.00 0.00 N ATOM 580 CA ALA A 40 22.387 -0.032 -1.962 1.00 0.00 C ATOM 581 C ALA A 40 23.124 -0.242 -3.277 1.00 0.00 C ATOM 582 O ALA A 40 23.378 -1.378 -3.673 1.00 0.00 O ATOM 583 CB ALA A 40 23.203 -0.574 -0.791 1.00 0.00 C ATOM 0 H ALA A 40 21.153 -1.691 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 40 22.238 1.038 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.169 -0.071 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.667 -0.394 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.357 -1.645 -0.920 1.00 0.00 H new ATOM 589 N ALA A 41 23.466 0.856 -3.953 1.00 0.00 N ATOM 590 CA ALA A 41 24.169 0.787 -5.218 1.00 0.00 C ATOM 591 C ALA A 41 25.500 1.517 -5.108 1.00 0.00 C ATOM 592 O ALA A 41 25.539 2.696 -4.767 1.00 0.00 O ATOM 593 CB ALA A 41 23.303 1.404 -6.314 1.00 0.00 C ATOM 0 H ALA A 41 23.263 1.804 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 41 24.368 -0.254 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.830 1.353 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.365 0.854 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.095 2.446 -6.070 1.00 0.00 H new ATOM 599 N VAL A 42 26.595 0.809 -5.399 1.00 0.00 N ATOM 600 CA VAL A 42 27.921 1.390 -5.331 1.00 0.00 C ATOM 601 C VAL A 42 28.563 1.370 -6.711 1.00 0.00 C ATOM 602 O VAL A 42 28.821 0.302 -7.263 1.00 0.00 O ATOM 603 CB VAL A 42 28.767 0.609 -4.329 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.386 -0.867 -4.382 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.244 0.766 -4.680 1.00 0.00 C ATOM 0 H VAL A 42 26.579 -0.170 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 42 27.853 2.426 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 42 28.589 0.994 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.990 -1.425 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.331 -0.980 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.564 -1.253 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.849 0.209 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.422 0.381 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.517 1.821 -4.642 1.00 0.00 H new ATOM 615 N TRP A 43 28.821 2.556 -7.269 1.00 0.00 N ATOM 616 CA TRP A 43 29.432 2.664 -8.578 1.00 0.00 C ATOM 617 C TRP A 43 30.900 3.040 -8.435 1.00 0.00 C ATOM 618 O TRP A 43 31.226 4.069 -7.849 1.00 0.00 O ATOM 619 CB TRP A 43 28.684 3.707 -9.402 1.00 0.00 C ATOM 620 CG TRP A 43 29.406 4.183 -10.622 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.210 3.719 -11.876 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.442 5.205 -10.733 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.046 4.382 -12.749 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.830 5.311 -12.095 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.094 6.056 -9.821 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.810 6.208 -12.531 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.077 6.959 -10.247 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.437 7.039 -11.598 1.00 0.00 C ATOM 0 H TRP A 43 28.612 3.451 -6.826 1.00 0.00 H new ATOM 0 HA TRP A 43 29.373 1.704 -9.091 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.724 3.289 -9.706 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.470 4.566 -8.766 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.507 2.947 -12.152 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.081 4.208 -13.753 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.832 6.012 -8.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.079 6.258 -13.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.562 7.600 -9.526 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.195 7.739 -11.917 1.00 0.00 H new ATOM 639 N ARG A 44 31.786 2.200 -8.976 1.00 0.00 N ATOM 640 CA ARG A 44 33.213 2.446 -8.907 1.00 0.00 C ATOM 641 C ARG A 44 33.761 2.699 -10.304 1.00 0.00 C ATOM 642 O ARG A 44 33.185 2.245 -11.290 1.00 0.00 O ATOM 643 CB ARG A 44 33.903 1.246 -8.264 1.00 0.00 C ATOM 644 CG ARG A 44 32.885 0.443 -7.460 1.00 0.00 C ATOM 645 CD ARG A 44 33.498 -0.894 -7.053 1.00 0.00 C ATOM 646 NE ARG A 44 33.484 -1.839 -8.171 1.00 0.00 N ATOM 647 CZ ARG A 44 34.376 -2.831 -8.293 1.00 0.00 C ATOM 648 NH1 ARG A 44 35.333 -2.989 -7.368 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.313 -3.665 -9.340 1.00 0.00 N ATOM 0 H ARG A 44 31.531 1.343 -9.467 1.00 0.00 H new ATOM 0 HA ARG A 44 33.406 3.329 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.353 0.617 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.711 1.583 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.583 1.002 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.986 0.277 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.523 -0.740 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.944 -1.311 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 44 32.765 -1.738 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.382 -2.354 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.012 -3.744 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.586 -3.545 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 44 34.993 -4.420 -9.432 1.00 0.00 H new ATOM 663 N ARG A 45 34.877 3.427 -10.386 1.00 0.00 N ATOM 664 CA ARG A 45 35.495 3.737 -11.658 1.00 0.00 C ATOM 665 C ARG A 45 37.010 3.667 -11.526 1.00 0.00 C ATOM 666 O ARG A 45 37.622 4.528 -10.898 1.00 0.00 O ATOM 667 CB ARG A 45 35.056 5.127 -12.111 1.00 0.00 C ATOM 668 CG ARG A 45 35.152 6.097 -10.938 1.00 0.00 C ATOM 669 CD ARG A 45 35.463 7.497 -11.460 1.00 0.00 C ATOM 670 NE ARG A 45 36.905 7.695 -11.605 1.00 0.00 N ATOM 671 CZ ARG A 45 37.468 8.908 -11.679 1.00 0.00 C ATOM 672 NH1 ARG A 45 36.702 10.007 -11.619 1.00 0.00 N ATOM 673 NH2 ARG A 45 38.796 9.025 -11.814 1.00 0.00 N ATOM 0 H ARG A 45 35.366 3.810 -9.577 1.00 0.00 H new ATOM 0 HA ARG A 45 35.181 3.009 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.685 5.469 -12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.033 5.093 -12.486 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.215 6.105 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.931 5.773 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 45 34.973 7.647 -12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.057 8.242 -10.776 1.00 0.00 H new ATOM 0 HE ARG A 45 37.508 6.874 -11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 45 35.691 9.919 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 45 37.130 10.931 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 45 39.379 8.190 -11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 45 39.223 9.949 -11.870 1.00 0.00 H new ATOM 687 N ASN A 46 37.615 2.637 -12.122 1.00 0.00 N ATOM 688 CA ASN A 46 39.053 2.462 -12.067 1.00 0.00 C ATOM 689 C ASN A 46 39.659 2.717 -13.441 1.00 0.00 C ATOM 690 O ASN A 46 39.198 2.167 -14.438 1.00 0.00 O ATOM 691 CB ASN A 46 39.373 1.048 -11.590 1.00 0.00 C ATOM 692 CG ASN A 46 38.637 0.011 -12.425 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.075 -0.174 -13.673 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 37.687 -0.608 -11.952 1.00 0.00 N flip ATOM 0 H ASN A 46 37.123 1.914 -12.647 1.00 0.00 H new ATOM 0 HA ASN A 46 39.483 3.176 -11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.447 0.874 -11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.093 0.942 -10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.390 -0.431 -10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.195 -1.299 -12.519 1.00 0.00 H new ATOM 701 N ASP A 47 40.697 3.555 -13.487 1.00 0.00 N ATOM 702 CA ASP A 47 41.361 3.880 -14.734 1.00 0.00 C ATOM 703 C ASP A 47 40.325 4.099 -15.827 1.00 0.00 C ATOM 704 O ASP A 47 39.745 5.178 -15.929 1.00 0.00 O ATOM 705 CB ASP A 47 42.315 2.750 -15.111 1.00 0.00 C ATOM 706 CG ASP A 47 43.723 3.037 -14.612 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.297 4.044 -15.080 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.199 2.245 -13.771 1.00 0.00 O ATOM 0 H ASP A 47 41.091 4.018 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 47 41.936 4.799 -14.616 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.959 1.811 -14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.327 2.625 -16.194 1.00 0.00 H new ATOM 713 N GLU A 48 40.092 3.072 -16.647 1.00 0.00 N ATOM 714 CA GLU A 48 39.128 3.161 -17.725 1.00 0.00 C ATOM 715 C GLU A 48 38.114 2.030 -17.610 1.00 0.00 C ATOM 716 O GLU A 48 37.454 1.682 -18.585 1.00 0.00 O ATOM 717 CB GLU A 48 39.856 3.099 -19.064 1.00 0.00 C ATOM 718 CG GLU A 48 38.991 3.741 -20.145 1.00 0.00 C ATOM 719 CD GLU A 48 39.815 4.051 -21.387 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.732 4.891 -21.265 1.00 0.00 O ATOM 721 OE2 GLU A 48 39.510 3.441 -22.435 1.00 0.00 O ATOM 0 H GLU A 48 40.564 2.170 -16.578 1.00 0.00 H new ATOM 0 HA GLU A 48 38.593 4.108 -17.660 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.813 3.617 -18.994 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.073 2.063 -19.324 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.171 3.072 -20.405 1.00 0.00 H new ATOM 0 HG3 GLU A 48 38.544 4.658 -19.762 1.00 0.00 H new ATOM 728 N ASN A 49 37.994 1.457 -16.410 1.00 0.00 N ATOM 729 CA ASN A 49 37.063 0.371 -16.173 1.00 0.00 C ATOM 730 C ASN A 49 36.135 0.727 -15.021 1.00 0.00 C ATOM 731 O ASN A 49 36.496 0.569 -13.857 1.00 0.00 O ATOM 732 CB ASN A 49 37.840 -0.906 -15.867 1.00 0.00 C ATOM 733 CG ASN A 49 37.585 -1.965 -16.928 1.00 0.00 C ATOM 734 OD1 ASN A 49 37.844 -1.739 -18.108 1.00 0.00 O ATOM 735 ND2 ASN A 49 37.077 -3.126 -16.507 1.00 0.00 N ATOM 0 H ASN A 49 38.535 1.734 -15.591 1.00 0.00 H new ATOM 0 HA ASN A 49 36.456 0.207 -17.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 38.906 -0.685 -15.818 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.548 -1.288 -14.889 1.00 0.00 H new ATOM 0 HD21 ASN A 49 36.888 -3.872 -17.176 1.00 0.00 H new ATOM 0 HD22 ASN A 49 36.879 -3.267 -15.516 1.00 0.00 H new ATOM 742 N VAL A 50 34.933 1.209 -15.349 1.00 0.00 N ATOM 743 CA VAL A 50 33.959 1.583 -14.345 1.00 0.00 C ATOM 744 C VAL A 50 32.957 0.454 -14.153 1.00 0.00 C ATOM 745 O VAL A 50 32.352 -0.013 -15.117 1.00 0.00 O ATOM 746 CB VAL A 50 33.253 2.865 -14.775 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.148 3.199 -13.777 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.261 4.010 -14.820 1.00 0.00 C ATOM 0 H VAL A 50 34.619 1.346 -16.310 1.00 0.00 H new ATOM 0 HA VAL A 50 34.461 1.762 -13.394 1.00 0.00 H new ATOM 0 HB VAL A 50 32.817 2.725 -15.764 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.644 4.115 -14.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.427 2.382 -13.745 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.582 3.339 -12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.757 4.926 -15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.697 4.150 -13.831 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.050 3.773 -15.534 1.00 0.00 H new ATOM 758 N THR A 51 32.780 0.015 -12.904 1.00 0.00 N ATOM 759 CA THR A 51 31.852 -1.055 -12.597 1.00 0.00 C ATOM 760 C THR A 51 30.812 -0.568 -11.599 1.00 0.00 C ATOM 761 O THR A 51 31.125 0.209 -10.700 1.00 0.00 O ATOM 762 CB THR A 51 32.621 -2.249 -12.039 1.00 0.00 C ATOM 763 OG1 THR A 51 32.634 -2.182 -10.630 1.00 0.00 O ATOM 764 CG2 THR A 51 34.055 -2.222 -12.562 1.00 0.00 C ATOM 0 H THR A 51 33.272 0.391 -12.094 1.00 0.00 H new ATOM 0 HA THR A 51 31.335 -1.365 -13.505 1.00 0.00 H new ATOM 0 HB THR A 51 32.137 -3.173 -12.356 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.085 -1.360 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.604 -3.075 -12.163 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.046 -2.273 -13.651 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.540 -1.299 -12.246 1.00 0.00 H new ATOM 772 N LEU A 52 29.569 -1.029 -11.761 1.00 0.00 N ATOM 773 CA LEU A 52 28.488 -0.643 -10.877 1.00 0.00 C ATOM 774 C LEU A 52 27.830 -1.883 -10.291 1.00 0.00 C ATOM 775 O LEU A 52 27.492 -2.813 -11.021 1.00 0.00 O ATOM 776 CB LEU A 52 27.473 0.194 -11.651 1.00 0.00 C ATOM 777 CG LEU A 52 26.671 1.050 -10.675 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.111 2.267 -11.406 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.521 0.226 -10.103 1.00 0.00 C ATOM 0 H LEU A 52 29.295 -1.673 -12.503 1.00 0.00 H new ATOM 0 HA LEU A 52 28.882 -0.045 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.985 0.830 -12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.805 -0.456 -12.216 1.00 0.00 H new ATOM 0 HG LEU A 52 27.320 1.381 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.538 2.878 -10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.932 2.856 -11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.462 1.937 -12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.948 0.837 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.872 -0.105 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.921 -0.643 -9.580 1.00 0.00 H new ATOM 791 N GLU A 53 27.647 -1.897 -8.968 1.00 0.00 N ATOM 792 CA GLU A 53 27.029 -3.021 -8.296 1.00 0.00 C ATOM 793 C GLU A 53 25.800 -2.556 -7.527 1.00 0.00 C ATOM 794 O GLU A 53 25.802 -1.479 -6.938 1.00 0.00 O ATOM 795 CB GLU A 53 28.043 -3.667 -7.354 1.00 0.00 C ATOM 796 CG GLU A 53 27.682 -5.136 -7.151 1.00 0.00 C ATOM 797 CD GLU A 53 28.512 -5.748 -6.031 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.541 -5.131 -4.944 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.100 -6.822 -6.282 1.00 0.00 O ATOM 0 H GLU A 53 27.922 -1.136 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 53 26.711 -3.759 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.047 -3.582 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.049 -3.147 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.622 -5.225 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 27.849 -5.687 -8.076 1.00 0.00 H new ATOM 806 N THR A 54 24.746 -3.376 -7.537 1.00 0.00 N ATOM 807 CA THR A 54 23.519 -3.044 -6.841 1.00 0.00 C ATOM 808 C THR A 54 23.000 -4.264 -6.095 1.00 0.00 C ATOM 809 O THR A 54 22.834 -5.331 -6.681 1.00 0.00 O ATOM 810 CB THR A 54 22.485 -2.546 -7.847 1.00 0.00 C ATOM 811 OG1 THR A 54 22.257 -3.542 -8.819 1.00 0.00 O ATOM 812 CG2 THR A 54 23.002 -1.281 -8.525 1.00 0.00 C ATOM 0 H THR A 54 24.726 -4.273 -8.022 1.00 0.00 H new ATOM 0 HA THR A 54 23.712 -2.255 -6.114 1.00 0.00 H new ATOM 0 HB THR A 54 21.552 -2.324 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.658 -3.267 -9.670 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.263 -0.925 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 54 23.177 -0.511 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.935 -1.501 -9.043 1.00 0.00 H new ATOM 820 N ILE A 55 22.745 -4.103 -4.794 1.00 0.00 N ATOM 821 CA ILE A 55 22.246 -5.186 -3.970 1.00 0.00 C ATOM 822 C ILE A 55 21.484 -4.619 -2.781 1.00 0.00 C ATOM 823 O ILE A 55 21.298 -3.408 -2.681 1.00 0.00 O ATOM 824 CB ILE A 55 23.414 -6.049 -3.504 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.043 -5.427 -2.260 1.00 0.00 C ATOM 826 CG2 ILE A 55 24.459 -6.134 -4.613 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.383 -3.967 -2.539 1.00 0.00 C ATOM 0 H ILE A 55 22.880 -3.224 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 55 21.563 -5.807 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 55 23.053 -7.050 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.355 -5.497 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.944 -5.975 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.294 -6.751 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.011 -6.579 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.820 -5.133 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.832 -3.522 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.087 -3.910 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.473 -3.424 -2.796 1.00 0.00 H new ATOM 839 N CYS A 56 21.042 -5.498 -1.879 1.00 0.00 N ATOM 840 CA CYS A 56 20.304 -5.083 -0.703 1.00 0.00 C ATOM 841 C CYS A 56 21.243 -4.996 0.490 1.00 0.00 C ATOM 842 O CYS A 56 21.306 -5.915 1.303 1.00 0.00 O ATOM 843 CB CYS A 56 19.177 -6.076 -0.433 1.00 0.00 C ATOM 844 SG CYS A 56 17.582 -5.300 -0.075 1.00 0.00 S ATOM 0 H CYS A 56 21.188 -6.505 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 56 19.869 -4.098 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.066 -6.728 -1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.458 -6.709 0.408 1.00 0.00 H new ATOM 849 N HIS A 57 21.977 -3.884 0.595 1.00 0.00 N ATOM 850 CA HIS A 57 22.908 -3.686 1.687 1.00 0.00 C ATOM 851 C HIS A 57 22.342 -2.680 2.679 1.00 0.00 C ATOM 852 O HIS A 57 21.555 -1.812 2.306 1.00 0.00 O ATOM 853 CB HIS A 57 24.245 -3.203 1.132 1.00 0.00 C ATOM 854 CG HIS A 57 25.178 -2.717 2.207 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.025 -3.499 2.961 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.338 -1.420 2.611 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.681 -2.680 3.803 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.297 -1.404 3.628 1.00 0.00 N ATOM 0 H HIS A 57 21.937 -3.111 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 57 23.063 -4.630 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.721 -4.016 0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.068 -2.398 0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.816 -0.561 2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.418 -3.004 4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.637 -0.587 4.136 1.00 0.00 H new ATOM 866 N ASP A 58 22.745 -2.798 3.946 1.00 0.00 N ATOM 867 CA ASP A 58 22.276 -1.902 4.985 1.00 0.00 C ATOM 868 C ASP A 58 23.218 -0.713 5.101 1.00 0.00 C ATOM 869 O ASP A 58 24.435 -0.883 5.132 1.00 0.00 O ATOM 870 CB ASP A 58 22.192 -2.658 6.308 1.00 0.00 C ATOM 871 CG ASP A 58 20.770 -2.650 6.849 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.922 -3.324 6.225 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.557 -1.971 7.876 1.00 0.00 O ATOM 0 H ASP A 58 23.398 -3.511 4.270 1.00 0.00 H new ATOM 0 HA ASP A 58 21.283 -1.531 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.525 -3.686 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.864 -2.203 7.035 1.00 0.00 H new ATOM 878 N PRO A 59 22.652 0.495 5.163 1.00 0.00 N ATOM 879 CA PRO A 59 23.389 1.735 5.278 1.00 0.00 C ATOM 880 C PRO A 59 23.970 1.857 6.678 1.00 0.00 C ATOM 881 O PRO A 59 24.315 2.953 7.117 1.00 0.00 O ATOM 882 CB PRO A 59 22.355 2.829 5.017 1.00 0.00 C ATOM 883 CG PRO A 59 21.059 2.197 5.522 1.00 0.00 C ATOM 884 CD PRO A 59 21.226 0.732 5.128 1.00 0.00 C ATOM 0 HA PRO A 59 24.225 1.798 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.593 3.747 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.295 3.085 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.943 2.316 6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.181 2.645 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.700 0.075 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.819 0.541 4.135 1.00 0.00 H new ATOM 892 N GLN A 60 24.079 0.727 7.382 1.00 0.00 N ATOM 893 CA GLN A 60 24.614 0.714 8.727 1.00 0.00 C ATOM 894 C GLN A 60 26.065 0.253 8.701 1.00 0.00 C ATOM 895 O GLN A 60 26.905 0.799 9.413 1.00 0.00 O ATOM 896 CB GLN A 60 23.770 -0.209 9.601 1.00 0.00 C ATOM 897 CG GLN A 60 23.885 0.222 11.060 1.00 0.00 C ATOM 898 CD GLN A 60 22.569 0.011 11.795 1.00 0.00 C ATOM 899 OE1 GLN A 60 21.754 0.925 11.885 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.365 -1.199 12.321 1.00 0.00 N ATOM 0 H GLN A 60 23.800 -0.190 7.032 1.00 0.00 H new ATOM 0 HA GLN A 60 24.580 1.720 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.728 -0.176 9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.105 -1.240 9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.675 -0.347 11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.170 1.273 11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.074 -1.926 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.501 -1.397 12.825 1.00 0.00 H new ATOM 909 N LYS A 61 26.356 -0.757 7.879 1.00 0.00 N ATOM 910 CA LYS A 61 27.702 -1.284 7.764 1.00 0.00 C ATOM 911 C LYS A 61 28.499 -0.457 6.765 1.00 0.00 C ATOM 912 O LYS A 61 27.925 0.238 5.931 1.00 0.00 O ATOM 913 CB LYS A 61 27.638 -2.745 7.327 1.00 0.00 C ATOM 914 CG LYS A 61 27.081 -3.593 8.467 1.00 0.00 C ATOM 915 CD LYS A 61 25.739 -4.189 8.050 1.00 0.00 C ATOM 916 CE LYS A 61 24.919 -4.517 9.294 1.00 0.00 C ATOM 917 NZ LYS A 61 23.925 -5.564 9.008 1.00 0.00 N ATOM 0 H LYS A 61 25.670 -1.222 7.285 1.00 0.00 H new ATOM 0 HA LYS A 61 28.202 -1.227 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.007 -2.844 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.632 -3.097 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.782 -4.389 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.958 -2.983 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.197 -3.485 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.898 -5.090 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.581 -4.848 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.414 -3.618 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.380 -5.770 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.281 -5.236 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.411 -6.427 8.692 1.00 0.00 H new ATOM 931 N ARG A 62 29.829 -0.535 6.854 1.00 0.00 N ATOM 932 CA ARG A 62 30.699 0.206 5.963 1.00 0.00 C ATOM 933 C ARG A 62 31.011 -0.635 4.732 1.00 0.00 C ATOM 934 O ARG A 62 31.527 -1.744 4.848 1.00 0.00 O ATOM 935 CB ARG A 62 31.982 0.579 6.701 1.00 0.00 C ATOM 936 CG ARG A 62 31.811 1.947 7.356 1.00 0.00 C ATOM 937 CD ARG A 62 30.506 1.972 8.148 1.00 0.00 C ATOM 938 NE ARG A 62 30.571 2.946 9.237 1.00 0.00 N ATOM 939 CZ ARG A 62 30.571 2.592 10.529 1.00 0.00 C ATOM 940 NH1 ARG A 62 30.509 1.297 10.868 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.631 3.532 11.482 1.00 0.00 N ATOM 0 H ARG A 62 30.320 -1.109 7.540 1.00 0.00 H new ATOM 0 HA ARG A 62 30.202 1.121 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.211 -0.172 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.822 0.599 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.653 2.154 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.802 2.728 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.678 2.219 7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.304 0.981 8.554 1.00 0.00 H new ATOM 0 HE ARG A 62 30.618 3.938 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 62 30.462 0.582 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 62 30.509 1.027 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 62 30.677 4.518 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 62 30.631 3.262 12.466 1.00 0.00 H new ATOM 955 N LEU A 63 30.696 -0.102 3.549 1.00 0.00 N ATOM 956 CA LEU A 63 30.942 -0.802 2.305 1.00 0.00 C ATOM 957 C LEU A 63 32.222 -0.283 1.665 1.00 0.00 C ATOM 958 O LEU A 63 32.411 0.925 1.538 1.00 0.00 O ATOM 959 CB LEU A 63 29.753 -0.609 1.369 1.00 0.00 C ATOM 960 CG LEU A 63 30.079 -1.207 0.002 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.458 -2.596 -0.106 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.514 -0.309 -1.094 1.00 0.00 C ATOM 0 H LEU A 63 30.268 0.817 3.436 1.00 0.00 H new ATOM 0 HA LEU A 63 31.063 -1.867 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.867 -1.088 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.524 0.452 1.269 1.00 0.00 H new ATOM 0 HG LEU A 63 31.160 -1.283 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.690 -3.024 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.863 -3.237 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.377 -2.521 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.747 -0.736 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.433 -0.232 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.958 0.683 -1.017 1.00 0.00 H new ATOM 974 N TYR A 64 33.103 -1.200 1.261 1.00 0.00 N ATOM 975 CA TYR A 64 34.358 -0.830 0.639 1.00 0.00 C ATOM 976 C TYR A 64 35.068 0.214 1.489 1.00 0.00 C ATOM 977 O TYR A 64 35.870 0.994 0.980 1.00 0.00 O ATOM 978 CB TYR A 64 34.091 -0.293 -0.765 1.00 0.00 C ATOM 979 CG TYR A 64 33.544 -1.332 -1.714 1.00 0.00 C ATOM 980 CD1 TYR A 64 34.317 -2.450 -2.049 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.263 -1.178 -2.258 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.810 -3.413 -2.930 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.756 -2.141 -3.139 1.00 0.00 C ATOM 984 CZ TYR A 64 32.530 -3.259 -3.474 1.00 0.00 C ATOM 985 OH TYR A 64 32.036 -4.198 -4.333 1.00 0.00 O ATOM 0 H TYR A 64 32.962 -2.206 1.358 1.00 0.00 H new ATOM 0 HA TYR A 64 35.002 -1.706 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.386 0.536 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.018 0.109 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 64 35.304 -2.570 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.666 -0.316 -1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 64 34.407 -4.275 -3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.769 -2.022 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 64 31.134 -3.939 -4.617 1.00 0.00 H new ATOM 995 N GLY A 65 34.772 0.226 2.791 1.00 0.00 N ATOM 996 CA GLY A 65 35.384 1.174 3.701 1.00 0.00 C ATOM 997 C GLY A 65 34.669 2.515 3.625 1.00 0.00 C ATOM 998 O GLY A 65 35.235 3.546 3.980 1.00 0.00 O ATOM 0 H GLY A 65 34.111 -0.414 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.343 0.789 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.437 1.301 3.451 1.00 0.00 H new ATOM 1002 N HIS A 66 33.418 2.498 3.159 1.00 0.00 N ATOM 1003 CA HIS A 66 32.634 3.712 3.037 1.00 0.00 C ATOM 1004 C HIS A 66 31.319 3.559 3.789 1.00 0.00 C ATOM 1005 O HIS A 66 30.720 2.486 3.788 1.00 0.00 O ATOM 1006 CB HIS A 66 32.381 4.006 1.561 1.00 0.00 C ATOM 1007 CG HIS A 66 33.580 3.721 0.699 1.00 0.00 C ATOM 1008 ND1 HIS A 66 33.621 2.867 -0.370 1.00 0.00 N flip ATOM 1009 CD2 HIS A 66 34.833 4.274 0.843 1.00 0.00 C flip ATOM 1010 CE1 HIS A 66 34.918 2.895 -0.890 1.00 0.00 C flip ATOM 1011 NE2 HIS A 66 35.610 3.757 -0.125 1.00 0.00 N flip ATOM 0 H HIS A 66 32.933 1.652 2.862 1.00 0.00 H new ATOM 0 HA HIS A 66 33.182 4.547 3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.539 3.407 1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 66 32.097 5.052 1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 66 35.135 4.989 1.593 1.00 0.00 H new ATOM 0 HE1 HIS A 66 35.290 2.336 -1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 66 36.594 3.988 -0.261 1.00 0.00 H new ATOM 1019 N MET A 67 30.873 4.639 4.436 1.00 0.00 N ATOM 1020 CA MET A 67 29.635 4.618 5.190 1.00 0.00 C ATOM 1021 C MET A 67 28.677 5.665 4.640 1.00 0.00 C ATOM 1022 O MET A 67 28.912 6.863 4.783 1.00 0.00 O ATOM 1023 CB MET A 67 29.934 4.880 6.663 1.00 0.00 C ATOM 1024 CG MET A 67 30.715 6.184 6.799 1.00 0.00 C ATOM 1025 SD MET A 67 31.616 6.341 8.362 1.00 0.00 S ATOM 1026 CE MET A 67 33.239 6.812 7.716 1.00 0.00 C ATOM 0 H MET A 67 31.358 5.536 4.448 1.00 0.00 H new ATOM 0 HA MET A 67 29.164 3.639 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.004 4.940 7.229 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.509 4.054 7.081 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.423 6.260 5.974 1.00 0.00 H new ATOM 0 HG3 MET A 67 30.024 7.021 6.704 1.00 0.00 H new ATOM 0 HE1 MET A 67 33.933 6.953 8.544 1.00 0.00 H new ATOM 0 HE2 MET A 67 33.612 6.025 7.060 1.00 0.00 H new ATOM 0 HE3 MET A 67 33.151 7.742 7.154 1.00 0.00 H new ATOM 1036 N LEU A 68 27.592 5.209 4.009 1.00 0.00 N ATOM 1037 CA LEU A 68 26.604 6.105 3.442 1.00 0.00 C ATOM 1038 C LEU A 68 25.495 6.357 4.453 1.00 0.00 C ATOM 1039 O LEU A 68 25.121 5.460 5.205 1.00 0.00 O ATOM 1040 CB LEU A 68 26.039 5.493 2.162 1.00 0.00 C ATOM 1041 CG LEU A 68 26.159 3.973 2.230 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.145 3.427 3.232 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.881 3.380 0.851 1.00 0.00 C ATOM 0 H LEU A 68 27.383 4.219 3.882 1.00 0.00 H new ATOM 0 HA LEU A 68 27.071 7.060 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.995 5.781 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.579 5.873 1.295 1.00 0.00 H new ATOM 0 HG LEU A 68 27.166 3.701 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.230 2.341 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.342 3.851 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.138 3.698 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.966 2.294 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.874 3.652 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.604 3.770 0.135 1.00 0.00 H new ATOM 1055 N ASP A 69 24.969 7.583 4.469 1.00 0.00 N ATOM 1056 CA ASP A 69 23.907 7.948 5.386 1.00 0.00 C ATOM 1057 C ASP A 69 22.825 8.716 4.643 1.00 0.00 C ATOM 1058 O ASP A 69 22.791 9.944 4.686 1.00 0.00 O ATOM 1059 CB ASP A 69 24.484 8.789 6.522 1.00 0.00 C ATOM 1060 CG ASP A 69 23.457 8.988 7.627 1.00 0.00 C ATOM 1061 OD1 ASP A 69 23.386 8.100 8.503 1.00 0.00 O ATOM 1062 OD2 ASP A 69 22.762 10.026 7.575 1.00 0.00 O ATOM 0 H ASP A 69 25.268 8.338 3.851 1.00 0.00 H new ATOM 0 HA ASP A 69 23.460 7.048 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.370 8.301 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.802 9.758 6.137 1.00 0.00 H new ATOM 1067 N ASP A 70 21.939 7.989 3.957 1.00 0.00 N ATOM 1068 CA ASP A 70 20.862 8.606 3.206 1.00 0.00 C ATOM 1069 C ASP A 70 19.976 7.528 2.599 1.00 0.00 C ATOM 1070 O ASP A 70 19.694 7.554 1.403 1.00 0.00 O ATOM 1071 CB ASP A 70 21.449 9.500 2.118 1.00 0.00 C ATOM 1072 CG ASP A 70 22.147 8.672 1.050 1.00 0.00 C ATOM 1073 OD1 ASP A 70 23.164 8.036 1.399 1.00 0.00 O ATOM 1074 OD2 ASP A 70 21.649 8.689 -0.097 1.00 0.00 O ATOM 0 H ASP A 70 21.953 6.970 3.911 1.00 0.00 H new ATOM 0 HA ASP A 70 20.253 9.218 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.656 10.093 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.157 10.201 2.561 1.00 0.00 H new ATOM 1079 N SER A 71 19.536 6.577 3.426 1.00 0.00 N ATOM 1080 CA SER A 71 18.686 5.498 2.966 1.00 0.00 C ATOM 1081 C SER A 71 17.223 5.900 3.100 1.00 0.00 C ATOM 1082 O SER A 71 16.344 5.251 2.537 1.00 0.00 O ATOM 1083 CB SER A 71 18.977 4.239 3.778 1.00 0.00 C ATOM 1084 OG SER A 71 18.764 4.503 5.146 1.00 0.00 O ATOM 0 H SER A 71 19.760 6.540 4.420 1.00 0.00 H new ATOM 0 HA SER A 71 18.891 5.292 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.332 3.424 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.006 3.917 3.614 1.00 0.00 H new ATOM 0 HG SER A 71 18.431 3.694 5.587 1.00 0.00 H new ATOM 1090 N SER A 72 16.966 6.975 3.849 1.00 0.00 N ATOM 1091 CA SER A 72 15.616 7.458 4.051 1.00 0.00 C ATOM 1092 C SER A 72 15.284 8.518 3.009 1.00 0.00 C ATOM 1093 O SER A 72 14.158 9.008 2.953 1.00 0.00 O ATOM 1094 CB SER A 72 15.485 8.027 5.461 1.00 0.00 C ATOM 1095 OG SER A 72 16.276 7.269 6.348 1.00 0.00 O ATOM 0 H SER A 72 17.684 7.523 4.323 1.00 0.00 H new ATOM 0 HA SER A 72 14.912 6.634 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.802 9.070 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.442 8.006 5.778 1.00 0.00 H new ATOM 0 HG SER A 72 16.194 7.635 7.254 1.00 0.00 H new ATOM 1101 N SER A 73 16.271 8.869 2.181 1.00 0.00 N ATOM 1102 CA SER A 73 16.079 9.865 1.145 1.00 0.00 C ATOM 1103 C SER A 73 15.360 9.242 -0.043 1.00 0.00 C ATOM 1104 O SER A 73 15.655 8.113 -0.430 1.00 0.00 O ATOM 1105 CB SER A 73 17.434 10.426 0.725 1.00 0.00 C ATOM 1106 OG SER A 73 17.911 11.300 1.724 1.00 0.00 O ATOM 0 H SER A 73 17.210 8.472 2.215 1.00 0.00 H new ATOM 0 HA SER A 73 15.465 10.681 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.143 9.613 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.342 10.956 -0.223 1.00 0.00 H new ATOM 0 HG SER A 73 18.782 11.659 1.455 1.00 0.00 H new ATOM 1112 N GLU A 74 14.415 9.984 -0.624 1.00 0.00 N ATOM 1113 CA GLU A 74 13.663 9.503 -1.765 1.00 0.00 C ATOM 1114 C GLU A 74 14.570 9.410 -2.985 1.00 0.00 C ATOM 1115 O GLU A 74 14.187 8.845 -4.007 1.00 0.00 O ATOM 1116 CB GLU A 74 12.490 10.442 -2.034 1.00 0.00 C ATOM 1117 CG GLU A 74 11.182 9.663 -1.938 1.00 0.00 C ATOM 1118 CD GLU A 74 10.983 8.783 -3.164 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.380 9.291 -4.135 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.437 7.620 -3.108 1.00 0.00 O ATOM 0 H GLU A 74 14.158 10.922 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 74 13.274 8.507 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.492 11.260 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.588 10.889 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.187 9.046 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.347 10.357 -1.844 1.00 0.00 H new ATOM 1127 N GLN A 75 15.777 9.969 -2.873 1.00 0.00 N ATOM 1128 CA GLN A 75 16.732 9.948 -3.963 1.00 0.00 C ATOM 1129 C GLN A 75 18.076 9.439 -3.462 1.00 0.00 C ATOM 1130 O GLN A 75 18.662 10.019 -2.550 1.00 0.00 O ATOM 1131 CB GLN A 75 16.867 11.353 -4.544 1.00 0.00 C ATOM 1132 CG GLN A 75 16.355 11.360 -5.982 1.00 0.00 C ATOM 1133 CD GLN A 75 15.513 12.599 -6.251 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.942 13.501 -6.968 1.00 0.00 O ATOM 1135 NE2 GLN A 75 14.310 12.642 -5.673 1.00 0.00 N ATOM 0 H GLN A 75 16.109 10.441 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 75 16.382 9.276 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.301 12.063 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.909 11.671 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.198 11.331 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.761 10.465 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.998 11.868 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.703 13.449 -5.818 1.00 0.00 H new ATOM 1144 N CYS A 76 18.566 8.353 -4.064 1.00 0.00 N ATOM 1145 CA CYS A 76 19.837 7.772 -3.679 1.00 0.00 C ATOM 1146 C CYS A 76 20.972 8.690 -4.105 1.00 0.00 C ATOM 1147 O CYS A 76 21.050 9.089 -5.265 1.00 0.00 O ATOM 1148 CB CYS A 76 19.983 6.396 -4.323 1.00 0.00 C ATOM 1149 SG CYS A 76 21.676 5.993 -4.819 1.00 0.00 S ATOM 0 H CYS A 76 18.093 7.862 -4.823 1.00 0.00 H new ATOM 0 HA CYS A 76 19.876 7.657 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.630 5.639 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.337 6.346 -5.199 1.00 0.00 H new ATOM 1154 N VAL A 77 21.856 9.027 -3.162 1.00 0.00 N ATOM 1155 CA VAL A 77 22.981 9.896 -3.442 1.00 0.00 C ATOM 1156 C VAL A 77 24.280 9.116 -3.305 1.00 0.00 C ATOM 1157 O VAL A 77 24.497 8.437 -2.303 1.00 0.00 O ATOM 1158 CB VAL A 77 22.958 11.083 -2.483 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.767 10.743 -1.234 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.568 12.302 -3.168 1.00 0.00 C ATOM 0 H VAL A 77 21.806 8.704 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 77 22.911 10.271 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 77 21.928 11.303 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.751 11.590 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.332 9.872 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.797 10.524 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.552 13.150 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.598 12.083 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 77 22.991 12.545 -4.060 1.00 0.00 H new ATOM 1170 N MET A 78 25.147 9.214 -4.316 1.00 0.00 N ATOM 1171 CA MET A 78 26.417 8.516 -4.301 1.00 0.00 C ATOM 1172 C MET A 78 27.487 9.400 -3.672 1.00 0.00 C ATOM 1173 O MET A 78 27.770 10.488 -4.169 1.00 0.00 O ATOM 1174 CB MET A 78 26.803 8.135 -5.727 1.00 0.00 C ATOM 1175 CG MET A 78 26.326 6.716 -6.021 1.00 0.00 C ATOM 1176 SD MET A 78 27.610 5.633 -6.696 1.00 0.00 S ATOM 1177 CE MET A 78 26.604 4.168 -7.037 1.00 0.00 C ATOM 0 H MET A 78 24.984 9.773 -5.153 1.00 0.00 H new ATOM 0 HA MET A 78 26.329 7.607 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.357 8.834 -6.435 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.884 8.200 -5.852 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.940 6.276 -5.102 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.496 6.761 -6.726 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.112 3.281 -6.658 1.00 0.00 H new ATOM 0 HE2 MET A 78 25.636 4.269 -6.546 1.00 0.00 H new ATOM 0 HE3 MET A 78 26.457 4.070 -8.113 1.00 0.00 H new ATOM 1187 N LYS A 79 28.081 8.927 -2.575 1.00 0.00 N ATOM 1188 CA LYS A 79 29.114 9.673 -1.885 1.00 0.00 C ATOM 1189 C LYS A 79 30.483 9.275 -2.417 1.00 0.00 C ATOM 1190 O LYS A 79 30.666 8.160 -2.900 1.00 0.00 O ATOM 1191 CB LYS A 79 29.018 9.405 -0.386 1.00 0.00 C ATOM 1192 CG LYS A 79 28.177 10.496 0.273 1.00 0.00 C ATOM 1193 CD LYS A 79 26.923 9.874 0.880 1.00 0.00 C ATOM 1194 CE LYS A 79 26.002 10.980 1.388 1.00 0.00 C ATOM 1195 NZ LYS A 79 26.492 11.531 2.660 1.00 0.00 N ATOM 0 H LYS A 79 27.858 8.027 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 79 28.975 10.740 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.569 8.428 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.015 9.383 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.757 11.000 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.902 11.252 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.406 9.270 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.194 9.207 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 79 25.937 11.774 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 79 24.995 10.586 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 25.849 12.281 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 26.531 10.775 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.444 11.927 2.523 1.00 0.00 H new ATOM 1209 N GLU A 80 31.448 10.194 -2.327 1.00 0.00 N ATOM 1210 CA GLU A 80 32.793 9.934 -2.799 1.00 0.00 C ATOM 1211 C GLU A 80 33.718 9.681 -1.617 1.00 0.00 C ATOM 1212 O GLU A 80 33.997 10.589 -0.837 1.00 0.00 O ATOM 1213 CB GLU A 80 33.282 11.123 -3.622 1.00 0.00 C ATOM 1214 CG GLU A 80 33.388 12.353 -2.725 1.00 0.00 C ATOM 1215 CD GLU A 80 33.115 13.626 -3.515 1.00 0.00 C ATOM 1216 OE1 GLU A 80 32.195 13.583 -4.360 1.00 0.00 O ATOM 1217 OE2 GLU A 80 33.832 14.617 -3.259 1.00 0.00 O ATOM 0 H GLU A 80 31.313 11.124 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 80 32.793 9.046 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.252 10.898 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.594 11.318 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.677 12.271 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.383 12.401 -2.283 1.00 0.00 H new ATOM 1224 N LYS A 81 34.194 8.441 -1.486 1.00 0.00 N ATOM 1225 CA LYS A 81 35.084 8.076 -0.402 1.00 0.00 C ATOM 1226 C LYS A 81 36.496 7.878 -0.935 1.00 0.00 C ATOM 1227 O LYS A 81 36.685 7.620 -2.123 1.00 0.00 O ATOM 1228 CB LYS A 81 34.575 6.801 0.265 1.00 0.00 C ATOM 1229 CG LYS A 81 33.404 7.140 1.182 1.00 0.00 C ATOM 1230 CD LYS A 81 32.108 7.140 0.376 1.00 0.00 C ATOM 1231 CE LYS A 81 30.917 7.073 1.327 1.00 0.00 C ATOM 1232 NZ LYS A 81 31.128 7.936 2.500 1.00 0.00 N ATOM 0 H LYS A 81 33.972 7.676 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 81 35.106 8.875 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.262 6.082 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.376 6.333 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 81 33.341 6.413 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.559 8.116 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.048 8.040 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.091 6.289 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.012 7.380 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.764 6.044 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 30.212 8.144 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.744 7.450 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 31.577 8.825 2.201 1.00 0.00 H new ATOM 1246 N LYS A 82 37.491 7.999 -0.053 1.00 0.00 N ATOM 1247 CA LYS A 82 38.877 7.833 -0.438 1.00 0.00 C ATOM 1248 C LYS A 82 39.066 6.492 -1.132 1.00 0.00 C ATOM 1249 O LYS A 82 39.095 5.450 -0.481 1.00 0.00 O ATOM 1250 CB LYS A 82 39.764 7.930 0.800 1.00 0.00 C ATOM 1251 CG LYS A 82 39.105 7.182 1.956 1.00 0.00 C ATOM 1252 CD LYS A 82 39.937 5.953 2.310 1.00 0.00 C ATOM 1253 CE LYS A 82 39.085 4.973 3.110 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.526 4.914 4.512 1.00 0.00 N ATOM 0 H LYS A 82 37.352 8.212 0.935 1.00 0.00 H new ATOM 0 HA LYS A 82 39.159 8.622 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.746 7.506 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.918 8.975 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 82 39.017 7.837 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 82 38.094 6.882 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.303 5.475 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.812 6.248 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 82 38.039 5.276 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 82 39.149 3.981 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 38.931 4.240 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.518 4.603 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 39.442 5.857 4.942 1.00 0.00 H new ATOM 1268 N ASP A 83 39.194 6.520 -2.461 1.00 0.00 N ATOM 1269 CA ASP A 83 39.377 5.309 -3.237 1.00 0.00 C ATOM 1270 C ASP A 83 40.658 5.411 -4.053 1.00 0.00 C ATOM 1271 O ASP A 83 40.734 6.195 -4.996 1.00 0.00 O ATOM 1272 CB ASP A 83 38.170 5.102 -4.147 1.00 0.00 C ATOM 1273 CG ASP A 83 36.871 5.307 -3.382 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.778 4.756 -2.264 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.995 6.011 -3.929 1.00 0.00 O ATOM 0 H ASP A 83 39.173 7.376 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 83 39.462 4.452 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.217 5.798 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.194 4.096 -4.567 1.00 0.00 H new ATOM 1280 N ASP A 84 41.666 4.615 -3.687 1.00 0.00 N ATOM 1281 CA ASP A 84 42.936 4.621 -4.386 1.00 0.00 C ATOM 1282 C ASP A 84 42.924 3.566 -5.483 1.00 0.00 C ATOM 1283 O ASP A 84 42.612 2.405 -5.229 1.00 0.00 O ATOM 1284 CB ASP A 84 44.062 4.355 -3.392 1.00 0.00 C ATOM 1285 CG ASP A 84 45.082 5.486 -3.411 1.00 0.00 C ATOM 1286 OD1 ASP A 84 44.650 6.643 -3.219 1.00 0.00 O ATOM 1287 OD2 ASP A 84 46.274 5.171 -3.617 1.00 0.00 O ATOM 0 H ASP A 84 41.618 3.959 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 84 43.099 5.595 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.649 4.249 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.553 3.413 -3.636 1.00 0.00 H new ATOM 1292 N GLY A 85 43.267 3.972 -6.708 1.00 0.00 N ATOM 1293 CA GLY A 85 43.292 3.059 -7.833 1.00 0.00 C ATOM 1294 C GLY A 85 41.997 3.161 -8.626 1.00 0.00 C ATOM 1295 O GLY A 85 41.840 2.508 -9.655 1.00 0.00 O ATOM 0 H GLY A 85 43.530 4.930 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.140 3.289 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.429 2.038 -7.478 1.00 0.00 H new ATOM 1299 N GLY A 86 41.066 3.988 -8.142 1.00 0.00 N ATOM 1300 CA GLY A 86 39.792 4.171 -8.807 1.00 0.00 C ATOM 1301 C GLY A 86 38.769 4.750 -7.839 1.00 0.00 C ATOM 1302 O GLY A 86 38.797 4.448 -6.647 1.00 0.00 O ATOM 0 H GLY A 86 41.180 4.538 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 39.912 4.837 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.436 3.217 -9.195 1.00 0.00 H new ATOM 1306 N LEU A 87 37.865 5.585 -8.356 1.00 0.00 N ATOM 1307 CA LEU A 87 36.838 6.201 -7.539 1.00 0.00 C ATOM 1308 C LEU A 87 35.696 5.221 -7.317 1.00 0.00 C ATOM 1309 O LEU A 87 35.193 4.625 -8.267 1.00 0.00 O ATOM 1310 CB LEU A 87 36.338 7.470 -8.224 1.00 0.00 C ATOM 1311 CG LEU A 87 37.213 8.650 -7.811 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.299 8.712 -6.289 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.614 8.473 -8.392 1.00 0.00 C ATOM 0 H LEU A 87 37.830 5.846 -9.342 1.00 0.00 H new ATOM 0 HA LEU A 87 37.253 6.468 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.364 7.346 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.300 7.659 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 87 36.777 9.575 -8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.924 9.555 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 87 36.299 8.838 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.735 7.787 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.239 9.316 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.050 7.548 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.554 8.429 -9.479 1.00 0.00 H new ATOM 1325 N MET A 88 35.285 5.056 -6.058 1.00 0.00 N ATOM 1326 CA MET A 88 34.206 4.150 -5.720 1.00 0.00 C ATOM 1327 C MET A 88 33.137 4.889 -4.929 1.00 0.00 C ATOM 1328 O MET A 88 33.397 5.378 -3.831 1.00 0.00 O ATOM 1329 CB MET A 88 34.761 2.979 -4.915 1.00 0.00 C ATOM 1330 CG MET A 88 36.078 2.515 -5.531 1.00 0.00 C ATOM 1331 SD MET A 88 36.200 0.722 -5.740 1.00 0.00 S ATOM 1332 CE MET A 88 37.036 0.673 -7.345 1.00 0.00 C ATOM 0 H MET A 88 35.690 5.544 -5.259 1.00 0.00 H new ATOM 0 HA MET A 88 33.751 3.765 -6.633 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.918 3.278 -3.879 1.00 0.00 H new ATOM 0 HB3 MET A 88 34.043 2.159 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.201 2.993 -6.503 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.901 2.854 -4.902 1.00 0.00 H new ATOM 0 HE1 MET A 88 36.663 -0.172 -7.924 1.00 0.00 H new ATOM 0 HE2 MET A 88 36.840 1.599 -7.886 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.110 0.562 -7.193 1.00 0.00 H new ATOM 1342 N PHE A 89 31.928 4.969 -5.489 1.00 0.00 N ATOM 1343 CA PHE A 89 30.827 5.647 -4.835 1.00 0.00 C ATOM 1344 C PHE A 89 29.786 4.629 -4.389 1.00 0.00 C ATOM 1345 O PHE A 89 29.495 3.678 -5.110 1.00 0.00 O ATOM 1346 CB PHE A 89 30.215 6.664 -5.793 1.00 0.00 C ATOM 1347 CG PHE A 89 31.081 7.881 -6.015 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.433 7.727 -6.340 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.531 9.162 -5.893 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.237 8.855 -6.544 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.335 10.290 -6.097 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.688 10.137 -6.423 1.00 0.00 C ATOM 0 H PHE A 89 31.695 4.568 -6.398 1.00 0.00 H new ATOM 0 HA PHE A 89 31.191 6.174 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 89 30.028 6.181 -6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.248 6.982 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.857 6.738 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.487 9.280 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.281 8.736 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.911 11.279 -6.003 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.308 11.007 -6.581 1.00 0.00 H new ATOM 1362 N MET A 90 29.223 4.833 -3.195 1.00 0.00 N ATOM 1363 CA MET A 90 28.221 3.932 -2.663 1.00 0.00 C ATOM 1364 C MET A 90 27.017 4.727 -2.178 1.00 0.00 C ATOM 1365 O MET A 90 27.167 5.817 -1.630 1.00 0.00 O ATOM 1366 CB MET A 90 28.825 3.119 -1.521 1.00 0.00 C ATOM 1367 CG MET A 90 29.814 3.985 -0.747 1.00 0.00 C ATOM 1368 SD MET A 90 31.361 4.305 -1.631 1.00 0.00 S ATOM 1369 CE MET A 90 31.489 2.755 -2.557 1.00 0.00 C ATOM 0 H MET A 90 29.451 5.618 -2.585 1.00 0.00 H new ATOM 0 HA MET A 90 27.890 3.248 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.037 2.765 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.329 2.237 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 90 29.339 4.937 -0.510 1.00 0.00 H new ATOM 0 HG3 MET A 90 30.043 3.498 0.201 1.00 0.00 H new ATOM 0 HE1 MET A 90 32.353 2.797 -3.220 1.00 0.00 H new ATOM 0 HE2 MET A 90 31.606 1.924 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 90 30.585 2.609 -3.148 1.00 0.00 H new ATOM 1379 N CYS A 91 25.817 4.176 -2.382 1.00 0.00 N ATOM 1380 CA CYS A 91 24.594 4.832 -1.967 1.00 0.00 C ATOM 1381 C CYS A 91 23.606 3.797 -1.446 1.00 0.00 C ATOM 1382 O CYS A 91 23.687 2.624 -1.805 1.00 0.00 O ATOM 1383 CB CYS A 91 24.003 5.599 -3.146 1.00 0.00 C ATOM 1384 SG CYS A 91 22.682 4.714 -4.011 1.00 0.00 S ATOM 0 H CYS A 91 25.676 3.273 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 91 24.809 5.537 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.614 6.552 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.799 5.826 -3.855 1.00 0.00 H new ATOM 1389 N SER A 92 22.672 4.234 -0.599 1.00 0.00 N ATOM 1390 CA SER A 92 21.675 3.345 -0.036 1.00 0.00 C ATOM 1391 C SER A 92 20.314 4.027 -0.040 1.00 0.00 C ATOM 1392 O SER A 92 20.228 5.248 -0.142 1.00 0.00 O ATOM 1393 CB SER A 92 22.083 2.959 1.383 1.00 0.00 C ATOM 1394 OG SER A 92 22.758 4.039 1.988 1.00 0.00 O ATOM 0 H SER A 92 22.592 5.203 -0.292 1.00 0.00 H new ATOM 0 HA SER A 92 21.607 2.440 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.202 2.694 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.727 2.080 1.361 1.00 0.00 H new ATOM 0 HG SER A 92 22.122 4.570 2.512 1.00 0.00 H new ATOM 1400 N CYS A 93 19.248 3.231 0.073 1.00 0.00 N ATOM 1401 CA CYS A 93 17.898 3.758 0.084 1.00 0.00 C ATOM 1402 C CYS A 93 16.898 2.610 0.067 1.00 0.00 C ATOM 1403 O CYS A 93 17.065 1.648 -0.678 1.00 0.00 O ATOM 1404 CB CYS A 93 17.699 4.668 -1.125 1.00 0.00 C ATOM 1405 SG CYS A 93 18.203 3.923 -2.696 1.00 0.00 S ATOM 0 H CYS A 93 19.303 2.216 0.158 1.00 0.00 H new ATOM 0 HA CYS A 93 17.737 4.341 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.647 4.947 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.264 5.587 -0.972 1.00 0.00 H new ATOM 1410 N THR A 94 15.854 2.714 0.893 1.00 0.00 N ATOM 1411 CA THR A 94 14.836 1.687 0.967 1.00 0.00 C ATOM 1412 C THR A 94 13.831 1.871 -0.162 1.00 0.00 C ATOM 1413 O THR A 94 12.936 1.049 -0.342 1.00 0.00 O ATOM 1414 CB THR A 94 14.143 1.755 2.324 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.877 1.139 2.237 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.970 3.214 2.735 1.00 0.00 C ATOM 0 H THR A 94 15.700 3.505 1.518 1.00 0.00 H new ATOM 0 HA THR A 94 15.298 0.706 0.858 1.00 0.00 H new ATOM 0 HB THR A 94 14.749 1.237 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.796 0.677 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.475 3.263 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.948 3.691 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.364 3.732 1.992 1.00 0.00 H new ATOM 1424 N GLY A 95 13.983 2.955 -0.925 1.00 0.00 N ATOM 1425 CA GLY A 95 13.090 3.241 -2.030 1.00 0.00 C ATOM 1426 C GLY A 95 13.069 2.071 -3.005 1.00 0.00 C ATOM 1427 O GLY A 95 13.693 1.042 -2.761 1.00 0.00 O ATOM 0 H GLY A 95 14.721 3.646 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.084 3.429 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.413 4.146 -2.544 1.00 0.00 H new ATOM 1431 N GLU A 96 12.346 2.236 -4.116 1.00 0.00 N ATOM 1432 CA GLU A 96 12.248 1.197 -5.122 1.00 0.00 C ATOM 1433 C GLU A 96 13.376 1.344 -6.133 1.00 0.00 C ATOM 1434 O GLU A 96 13.481 2.367 -6.807 1.00 0.00 O ATOM 1435 CB GLU A 96 10.890 1.283 -5.810 1.00 0.00 C ATOM 1436 CG GLU A 96 10.731 0.111 -6.773 1.00 0.00 C ATOM 1437 CD GLU A 96 9.313 -0.439 -6.732 1.00 0.00 C ATOM 1438 OE1 GLU A 96 9.069 -1.316 -5.875 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.499 0.027 -7.558 1.00 0.00 O ATOM 0 H GLU A 96 11.822 3.084 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 96 12.340 0.220 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.093 1.267 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.804 2.226 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.971 0.433 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.438 -0.677 -6.513 1.00 0.00 H new ATOM 1446 N GLU A 97 14.221 0.316 -6.239 1.00 0.00 N ATOM 1447 CA GLU A 97 15.333 0.336 -7.169 1.00 0.00 C ATOM 1448 C GLU A 97 16.015 1.697 -7.132 1.00 0.00 C ATOM 1449 O GLU A 97 16.710 2.072 -8.074 1.00 0.00 O ATOM 1450 CB GLU A 97 14.827 0.023 -8.573 1.00 0.00 C ATOM 1451 CG GLU A 97 14.064 -1.299 -8.556 1.00 0.00 C ATOM 1452 CD GLU A 97 13.094 -1.382 -9.726 1.00 0.00 C ATOM 1453 OE1 GLU A 97 11.996 -0.798 -9.595 1.00 0.00 O ATOM 1454 OE2 GLU A 97 13.469 -2.027 -10.728 1.00 0.00 O ATOM 0 H GLU A 97 14.149 -0.539 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 97 16.063 -0.421 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.178 0.825 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.665 -0.037 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.768 -2.130 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.518 -1.396 -7.618 1.00 0.00 H new ATOM 1461 N CYS A 98 15.815 2.435 -6.037 1.00 0.00 N ATOM 1462 CA CYS A 98 16.409 3.748 -5.881 1.00 0.00 C ATOM 1463 C CYS A 98 17.925 3.643 -5.994 1.00 0.00 C ATOM 1464 O CYS A 98 18.601 4.638 -6.247 1.00 0.00 O ATOM 1465 CB CYS A 98 16.006 4.331 -4.530 1.00 0.00 C ATOM 1466 SG CYS A 98 17.226 5.466 -3.824 1.00 0.00 S ATOM 0 H CYS A 98 15.243 2.136 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 98 16.050 4.411 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 98 15.058 4.857 -4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.837 3.514 -3.829 1.00 0.00 H new ATOM 1471 N ASN A 99 18.456 2.434 -5.804 1.00 0.00 N ATOM 1472 CA ASN A 99 19.886 2.207 -5.885 1.00 0.00 C ATOM 1473 C ASN A 99 20.353 2.349 -7.326 1.00 0.00 C ATOM 1474 O ASN A 99 21.439 2.861 -7.584 1.00 0.00 O ATOM 1475 CB ASN A 99 20.210 0.818 -5.346 1.00 0.00 C ATOM 1476 CG ASN A 99 19.206 -0.209 -5.849 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.330 0.118 -6.647 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.333 -1.452 -5.381 1.00 0.00 N ATOM 0 H ASN A 99 17.909 1.599 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 99 20.410 2.949 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.215 0.530 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 99 20.203 0.836 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.686 -2.180 -5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.077 -1.674 -4.720 1.00 0.00 H new ATOM 1485 N ASP A 100 19.524 1.893 -8.269 1.00 0.00 N ATOM 1486 CA ASP A 100 19.853 1.970 -9.678 1.00 0.00 C ATOM 1487 C ASP A 100 20.170 3.410 -10.055 1.00 0.00 C ATOM 1488 O ASP A 100 20.906 3.656 -11.007 1.00 0.00 O ATOM 1489 CB ASP A 100 18.684 1.440 -10.502 1.00 0.00 C ATOM 1490 CG ASP A 100 17.932 2.580 -11.175 1.00 0.00 C ATOM 1491 OD1 ASP A 100 16.988 3.092 -10.537 1.00 0.00 O ATOM 1492 OD2 ASP A 100 18.316 2.916 -12.316 1.00 0.00 O ATOM 0 H ASP A 100 18.619 1.467 -8.072 1.00 0.00 H new ATOM 0 HA ASP A 100 20.732 1.359 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.052 0.746 -11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.005 0.881 -9.859 1.00 0.00 H new ATOM 1497 N VAL A 101 19.612 4.362 -9.304 1.00 0.00 N ATOM 1498 CA VAL A 101 19.837 5.770 -9.563 1.00 0.00 C ATOM 1499 C VAL A 101 20.912 6.300 -8.626 1.00 0.00 C ATOM 1500 O VAL A 101 20.644 6.566 -7.456 1.00 0.00 O ATOM 1501 CB VAL A 101 18.530 6.536 -9.376 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.503 7.734 -10.321 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.353 5.617 -9.686 1.00 0.00 C ATOM 0 H VAL A 101 19.000 4.174 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 101 20.178 5.906 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 101 18.457 6.884 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.570 8.281 -10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.344 8.391 -10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.576 7.386 -11.351 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.420 6.164 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.425 5.268 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.372 4.761 -9.011 1.00 0.00 H new ATOM 1513 N LEU A 102 22.134 6.456 -9.142 1.00 0.00 N ATOM 1514 CA LEU A 102 23.242 6.953 -8.352 1.00 0.00 C ATOM 1515 C LEU A 102 23.456 8.432 -8.636 1.00 0.00 C ATOM 1516 O LEU A 102 23.776 8.811 -9.761 1.00 0.00 O ATOM 1517 CB LEU A 102 24.499 6.152 -8.679 1.00 0.00 C ATOM 1518 CG LEU A 102 24.363 5.537 -10.069 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.750 5.266 -10.644 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.588 4.225 -9.971 1.00 0.00 C ATOM 0 H LEU A 102 22.373 6.241 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 102 23.018 6.836 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.376 6.799 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.647 5.369 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 102 23.828 6.228 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.653 4.827 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.304 6.202 -10.714 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.285 4.575 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.490 3.785 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.123 3.534 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.597 4.418 -9.561 1.00 0.00 H new ATOM 1532 N ILE A 103 23.279 9.270 -7.611 1.00 0.00 N ATOM 1533 CA ILE A 103 23.456 10.701 -7.752 1.00 0.00 C ATOM 1534 C ILE A 103 24.857 11.094 -7.307 1.00 0.00 C ATOM 1535 O ILE A 103 25.278 10.755 -6.203 1.00 0.00 O ATOM 1536 CB ILE A 103 22.401 11.426 -6.921 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.136 11.615 -7.756 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.938 12.790 -6.496 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.922 11.160 -6.950 1.00 0.00 C ATOM 0 H ILE A 103 23.012 8.971 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 103 23.336 10.986 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 103 22.167 10.835 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 103 21.027 12.662 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.208 11.041 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.185 13.309 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.841 12.656 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.172 13.381 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.019 11.295 -7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.032 10.107 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.847 11.753 -6.038 1.00 0.00 H new ATOM 1551 N PHE A 104 25.581 11.810 -8.170 1.00 0.00 N ATOM 1552 CA PHE A 104 26.928 12.244 -7.860 1.00 0.00 C ATOM 1553 C PHE A 104 26.977 13.764 -7.782 1.00 0.00 C ATOM 1554 O PHE A 104 26.748 14.447 -8.777 1.00 0.00 O ATOM 1555 CB PHE A 104 27.886 11.727 -8.928 1.00 0.00 C ATOM 1556 CG PHE A 104 27.792 10.236 -9.151 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.636 9.683 -9.714 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.864 9.407 -8.799 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.549 8.302 -9.921 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.779 8.025 -9.006 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.622 7.473 -9.568 1.00 0.00 C ATOM 0 H PHE A 104 25.248 12.098 -9.090 1.00 0.00 H new ATOM 0 HA PHE A 104 27.230 11.841 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.681 12.240 -9.867 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.907 11.980 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.810 10.323 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.757 9.834 -8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.656 7.875 -10.352 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.605 7.386 -8.732 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.556 6.407 -9.730 1.00 0.00 H new ATOM 1571 N SER A 105 27.276 14.291 -6.592 1.00 0.00 N ATOM 1572 CA SER A 105 27.354 15.724 -6.390 1.00 0.00 C ATOM 1573 C SER A 105 28.607 16.067 -5.597 1.00 0.00 C ATOM 1574 O SER A 105 28.890 15.442 -4.577 1.00 0.00 O ATOM 1575 CB SER A 105 26.103 16.203 -5.659 1.00 0.00 C ATOM 1576 OG SER A 105 26.258 15.990 -4.274 1.00 0.00 O ATOM 0 H SER A 105 27.467 13.738 -5.757 1.00 0.00 H new ATOM 0 HA SER A 105 27.410 16.228 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.935 17.261 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.227 15.667 -6.025 1.00 0.00 H new ATOM 0 HG SER A 105 25.456 16.299 -3.804 1.00 0.00 H new ATOM 1582 N ALA A 106 29.359 17.064 -6.068 1.00 0.00 N ATOM 1583 CA ALA A 106 30.575 17.485 -5.403 1.00 0.00 C ATOM 1584 C ALA A 106 30.352 18.829 -4.723 1.00 0.00 C ATOM 1585 O ALA A 106 30.816 19.858 -5.209 1.00 0.00 O ATOM 1586 CB ALA A 106 31.706 17.576 -6.423 1.00 0.00 C ATOM 0 H ALA A 106 29.138 17.592 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 106 30.849 16.756 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.622 17.893 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.862 16.599 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.444 18.301 -7.194 1.00 0.00 H new