USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 50 TYR OH : rot -169:sc= 0.608 USER MOD Set 1.2: B 31 TYR OH : rot 132:sc= 0.221 USER MOD Set 2.1: B 25 LYS NZ :NH3+ -165:sc= -1.26 (180deg=-2.01!) USER MOD Set 2.2: B 26 THR OG1 : rot 82:sc= 0.16 USER MOD Set 3.1: A 31 TYR OH : rot 30:sc= 0.159 USER MOD Set 3.2: B 50 TYR OH : rot -122:sc= 0.581 USER MOD Set 4.1: A 25 LYS NZ :NH3+ -162:sc= -1.18 (180deg=-1.82!) USER MOD Set 4.2: A 26 THR OG1 : rot 85:sc= 0.148 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -134:sc= -0.683 (180deg=-1.43) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.00884 (180deg=-0.124) USER MOD Single : A 32 CYS SG : rot -108:sc= -4.48! USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= -0.177 (180deg=-1.43!) USER MOD Single : A 35 ASN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 41 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.84) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -6.15! K(o=-6.1!,f=-1.4) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -134:sc= -0.677 (180deg=-1.47) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 169:sc= -0.0135 (180deg=-0.109) USER MOD Single : B 32 CYS SG : rot -108:sc= -4.43! USER MOD Single : B 34 LYS NZ :NH3+ -126:sc= -0.173 (180deg=-1.39!) USER MOD Single : B 35 ASN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : B 41 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.85) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN : amide:sc= -6.19! K(o=-6.2!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.189 6.702 8.797 1.00 0.00 N ATOM 63 CA ALA A 14 -8.198 5.472 9.560 1.00 0.00 C ATOM 64 C ALA A 14 -6.768 5.077 9.879 1.00 0.00 C ATOM 65 O ALA A 14 -5.828 5.647 9.332 1.00 0.00 O ATOM 66 CB ALA A 14 -8.888 4.370 8.779 1.00 0.00 C ATOM 0 HA ALA A 14 -8.749 5.625 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.886 3.452 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.916 4.663 8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.358 4.202 7.841 1.00 0.00 H new ATOM 72 N VAL A 15 -6.599 4.112 10.758 1.00 0.00 N ATOM 73 CA VAL A 15 -5.269 3.644 11.101 1.00 0.00 C ATOM 74 C VAL A 15 -5.065 2.260 10.521 1.00 0.00 C ATOM 75 O VAL A 15 -6.033 1.581 10.165 1.00 0.00 O ATOM 76 CB VAL A 15 -5.040 3.586 12.625 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.555 3.637 12.960 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.792 4.702 13.326 1.00 0.00 C ATOM 0 H VAL A 15 -7.359 3.638 11.246 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.554 4.354 10.685 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.430 2.635 12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.424 3.594 14.041 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.049 2.789 12.500 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.128 4.565 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.616 4.641 14.400 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.442 5.665 12.955 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.859 4.602 13.127 1.00 0.00 H new ATOM 88 N PHE A 16 -3.822 1.846 10.424 1.00 0.00 N ATOM 89 CA PHE A 16 -3.498 0.551 9.868 1.00 0.00 C ATOM 90 C PHE A 16 -2.214 0.030 10.493 1.00 0.00 C ATOM 91 O PHE A 16 -1.191 0.711 10.467 1.00 0.00 O ATOM 92 CB PHE A 16 -3.351 0.663 8.352 1.00 0.00 C ATOM 93 CG PHE A 16 -3.617 -0.620 7.623 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.738 -1.379 7.921 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.754 -1.064 6.637 1.00 0.00 C ATOM 96 CE1 PHE A 16 -4.992 -2.556 7.250 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.005 -2.241 5.961 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.123 -2.987 6.269 1.00 0.00 C ATOM 0 H PHE A 16 -3.014 2.391 10.725 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.302 -0.151 10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.036 1.427 7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.341 1.001 8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.421 -1.044 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.876 -0.484 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.869 -3.139 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.326 -2.577 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.318 -3.909 5.742 1.00 0.00 H new ATOM 108 N GLY A 17 -2.285 -1.157 11.075 1.00 0.00 N ATOM 109 CA GLY A 17 -1.125 -1.748 11.713 1.00 0.00 C ATOM 110 C GLY A 17 -0.895 -3.171 11.251 1.00 0.00 C ATOM 111 O GLY A 17 -1.505 -4.106 11.773 1.00 0.00 O ATOM 0 H GLY A 17 -3.131 -1.726 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.243 -1.147 11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.258 -1.734 12.795 1.00 0.00 H new ATOM 115 N ILE A 18 -0.023 -3.340 10.269 1.00 0.00 N ATOM 116 CA ILE A 18 0.194 -4.643 9.661 1.00 0.00 C ATOM 117 C ILE A 18 1.657 -5.053 9.697 1.00 0.00 C ATOM 118 O ILE A 18 2.537 -4.238 9.976 1.00 0.00 O ATOM 119 CB ILE A 18 -0.282 -4.650 8.201 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.400 -3.529 7.406 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.790 -4.496 8.162 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.179 -3.618 5.915 1.00 0.00 C ATOM 0 H ILE A 18 0.546 -2.590 9.876 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.385 -5.358 10.246 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.010 -5.599 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.030 -2.567 7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.471 -3.553 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.130 -4.501 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.254 -5.323 8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.072 -3.554 8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.691 -2.792 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.574 -4.564 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.888 -3.562 5.701 1.00 0.00 H new ATOM 134 N TYR A 19 1.903 -6.327 9.416 1.00 0.00 N ATOM 135 CA TYR A 19 3.255 -6.848 9.333 1.00 0.00 C ATOM 136 C TYR A 19 3.619 -7.129 7.880 1.00 0.00 C ATOM 137 O TYR A 19 3.327 -8.201 7.352 1.00 0.00 O ATOM 138 CB TYR A 19 3.403 -8.131 10.155 1.00 0.00 C ATOM 139 CG TYR A 19 3.108 -7.965 11.627 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.904 -7.161 12.431 1.00 0.00 C ATOM 141 CD2 TYR A 19 2.045 -8.633 12.215 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.646 -7.027 13.781 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.776 -8.501 13.562 1.00 0.00 C ATOM 144 CZ TYR A 19 2.581 -7.699 14.342 1.00 0.00 C ATOM 145 OH TYR A 19 2.323 -7.577 15.688 1.00 0.00 O ATOM 0 H TYR A 19 1.175 -7.020 9.241 1.00 0.00 H new ATOM 0 HA TYR A 19 3.931 -6.096 9.740 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.735 -8.889 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.420 -8.506 10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.738 -6.632 11.994 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.416 -9.268 11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.275 -6.399 14.394 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.939 -9.023 14.002 1.00 0.00 H new ATOM 0 HH TYR A 19 1.537 -8.114 15.920 1.00 0.00 H new ATOM 155 N MET A 20 4.255 -6.162 7.249 1.00 0.00 N ATOM 156 CA MET A 20 4.633 -6.275 5.842 1.00 0.00 C ATOM 157 C MET A 20 6.137 -6.498 5.724 1.00 0.00 C ATOM 158 O MET A 20 6.874 -6.225 6.670 1.00 0.00 O ATOM 159 CB MET A 20 4.206 -5.016 5.069 1.00 0.00 C ATOM 160 CG MET A 20 4.855 -3.729 5.561 1.00 0.00 C ATOM 161 SD MET A 20 4.070 -2.252 4.878 1.00 0.00 S ATOM 162 CE MET A 20 4.435 -2.427 3.133 1.00 0.00 C ATOM 0 H MET A 20 4.525 -5.281 7.686 1.00 0.00 H new ATOM 0 HA MET A 20 4.119 -7.131 5.405 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.448 -5.151 4.015 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.123 -4.912 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.804 -3.693 6.649 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.911 -3.733 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.792 -1.475 2.739 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.204 -3.187 2.997 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.532 -2.725 2.600 1.00 0.00 H new ATOM 172 N ASP A 21 6.595 -6.992 4.573 1.00 0.00 N ATOM 173 CA ASP A 21 8.014 -7.278 4.382 1.00 0.00 C ATOM 174 C ASP A 21 8.854 -6.022 4.522 1.00 0.00 C ATOM 175 O ASP A 21 8.376 -4.907 4.293 1.00 0.00 O ATOM 176 CB ASP A 21 8.308 -7.914 3.020 1.00 0.00 C ATOM 177 CG ASP A 21 8.264 -9.433 3.040 1.00 0.00 C ATOM 178 OD1 ASP A 21 7.165 -10.012 2.933 1.00 0.00 O ATOM 179 OD2 ASP A 21 9.345 -10.055 3.129 1.00 0.00 O ATOM 0 H ASP A 21 6.008 -7.201 3.766 1.00 0.00 H new ATOM 0 HA ASP A 21 8.279 -7.991 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.584 -7.547 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.293 -7.591 2.682 1.00 0.00 H new ATOM 184 N LYS A 22 10.115 -6.213 4.860 1.00 0.00 N ATOM 185 CA LYS A 22 11.013 -5.110 5.115 1.00 0.00 C ATOM 186 C LYS A 22 11.461 -4.482 3.816 1.00 0.00 C ATOM 187 O LYS A 22 11.138 -3.339 3.544 1.00 0.00 O ATOM 188 CB LYS A 22 12.225 -5.600 5.911 1.00 0.00 C ATOM 189 CG LYS A 22 13.299 -4.548 6.133 1.00 0.00 C ATOM 190 CD LYS A 22 14.476 -5.130 6.897 1.00 0.00 C ATOM 191 CE LYS A 22 15.565 -4.099 7.137 1.00 0.00 C ATOM 192 NZ LYS A 22 16.747 -4.697 7.810 1.00 0.00 N ATOM 0 H LYS A 22 10.541 -7.134 4.964 1.00 0.00 H new ATOM 0 HA LYS A 22 10.485 -4.355 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.884 -5.964 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.668 -6.449 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.639 -4.161 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.881 -3.707 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.130 -5.521 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.889 -5.971 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.870 -3.663 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.170 -3.287 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.470 -3.964 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.461 -5.091 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.139 -5.455 7.215 1.00 0.00 H new ATOM 206 N ASP A 23 12.173 -5.260 3.010 1.00 0.00 N ATOM 207 CA ASP A 23 12.766 -4.766 1.764 1.00 0.00 C ATOM 208 C ASP A 23 11.749 -4.019 0.906 1.00 0.00 C ATOM 209 O ASP A 23 12.061 -3.000 0.300 1.00 0.00 O ATOM 210 CB ASP A 23 13.347 -5.927 0.962 1.00 0.00 C ATOM 211 CG ASP A 23 13.953 -5.479 -0.354 1.00 0.00 C ATOM 212 OD1 ASP A 23 15.120 -5.036 -0.350 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.269 -5.576 -1.400 1.00 0.00 O ATOM 0 H ASP A 23 12.357 -6.246 3.196 1.00 0.00 H new ATOM 0 HA ASP A 23 13.558 -4.068 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.110 -6.429 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.562 -6.658 0.767 1.00 0.00 H new ATOM 218 N LEU A 24 10.534 -4.535 0.879 1.00 0.00 N ATOM 219 CA LEU A 24 9.454 -3.952 0.110 1.00 0.00 C ATOM 220 C LEU A 24 9.002 -2.623 0.730 1.00 0.00 C ATOM 221 O LEU A 24 8.999 -1.591 0.056 1.00 0.00 O ATOM 222 CB LEU A 24 8.330 -4.997 0.040 1.00 0.00 C ATOM 223 CG LEU A 24 6.961 -4.563 -0.477 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.124 -4.094 0.692 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.075 -3.480 -1.544 1.00 0.00 C ATOM 0 H LEU A 24 10.269 -5.375 1.393 1.00 0.00 H new ATOM 0 HA LEU A 24 9.773 -3.705 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.678 -5.816 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.192 -5.403 1.042 1.00 0.00 H new ATOM 0 HG LEU A 24 6.477 -5.415 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.143 -3.781 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.007 -4.909 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.618 -3.253 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.079 -3.199 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.574 -2.607 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.654 -3.859 -2.386 1.00 0.00 H new ATOM 237 N LYS A 25 8.644 -2.642 2.011 1.00 0.00 N ATOM 238 CA LYS A 25 8.214 -1.432 2.698 1.00 0.00 C ATOM 239 C LYS A 25 9.351 -0.414 2.715 1.00 0.00 C ATOM 240 O LYS A 25 9.137 0.794 2.656 1.00 0.00 O ATOM 241 CB LYS A 25 7.824 -1.767 4.133 1.00 0.00 C ATOM 242 CG LYS A 25 7.152 -0.622 4.864 1.00 0.00 C ATOM 243 CD LYS A 25 7.018 -0.906 6.352 1.00 0.00 C ATOM 244 CE LYS A 25 8.254 -0.472 7.136 1.00 0.00 C ATOM 245 NZ LYS A 25 9.472 -1.243 6.763 1.00 0.00 N ATOM 0 H LYS A 25 8.644 -3.481 2.591 1.00 0.00 H new ATOM 0 HA LYS A 25 7.356 -1.013 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.153 -2.626 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.717 -2.064 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.729 0.291 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.165 -0.447 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.142 -0.387 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.850 -1.972 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.434 0.589 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.064 -0.594 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.191 -1.138 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.228 -2.248 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.849 -0.882 5.864 1.00 0.00 H new ATOM 259 N THR A 26 10.559 -0.940 2.784 1.00 0.00 N ATOM 260 CA THR A 26 11.760 -0.130 2.892 1.00 0.00 C ATOM 261 C THR A 26 12.140 0.465 1.538 1.00 0.00 C ATOM 262 O THR A 26 12.641 1.585 1.461 1.00 0.00 O ATOM 263 CB THR A 26 12.927 -0.951 3.490 1.00 0.00 C ATOM 264 OG1 THR A 26 12.677 -1.202 4.881 1.00 0.00 O ATOM 265 CG2 THR A 26 14.259 -0.230 3.338 1.00 0.00 C ATOM 0 H THR A 26 10.737 -1.944 2.767 1.00 0.00 H new ATOM 0 HA THR A 26 11.551 0.696 3.572 1.00 0.00 H new ATOM 0 HB THR A 26 12.988 -1.892 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.115 -1.999 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.053 -0.838 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.464 -0.063 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.215 0.729 3.854 1.00 0.00 H new ATOM 273 N ARG A 27 11.880 -0.279 0.476 1.00 0.00 N ATOM 274 CA ARG A 27 12.023 0.239 -0.876 1.00 0.00 C ATOM 275 C ARG A 27 11.167 1.488 -1.033 1.00 0.00 C ATOM 276 O ARG A 27 11.634 2.531 -1.492 1.00 0.00 O ATOM 277 CB ARG A 27 11.612 -0.837 -1.893 1.00 0.00 C ATOM 278 CG ARG A 27 11.152 -0.300 -3.240 1.00 0.00 C ATOM 279 CD ARG A 27 12.230 0.518 -3.946 1.00 0.00 C ATOM 280 NE ARG A 27 13.479 -0.227 -4.100 1.00 0.00 N ATOM 281 CZ ARG A 27 14.667 0.346 -4.271 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.770 1.670 -4.366 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.754 -0.408 -4.356 1.00 0.00 N ATOM 0 H ARG A 27 11.567 -1.249 0.524 1.00 0.00 H new ATOM 0 HA ARG A 27 13.064 0.504 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.457 -1.506 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.809 -1.435 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.858 -1.134 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.267 0.320 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.868 0.822 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.421 1.430 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 27 13.437 -1.246 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.934 2.252 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.685 2.102 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.677 -1.423 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.667 0.027 -4.487 1.00 0.00 H new ATOM 297 N LEU A 28 9.915 1.367 -0.637 1.00 0.00 N ATOM 298 CA LEU A 28 8.992 2.486 -0.645 1.00 0.00 C ATOM 299 C LEU A 28 9.476 3.595 0.300 1.00 0.00 C ATOM 300 O LEU A 28 9.312 4.778 0.014 1.00 0.00 O ATOM 301 CB LEU A 28 7.605 1.982 -0.254 1.00 0.00 C ATOM 302 CG LEU A 28 6.445 2.957 -0.420 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.425 3.941 0.723 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.534 3.667 -1.759 1.00 0.00 C ATOM 0 H LEU A 28 9.509 0.493 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 28 8.943 2.918 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.388 1.093 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.639 1.670 0.790 1.00 0.00 H new ATOM 0 HG LEU A 28 5.509 2.399 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.592 4.632 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.307 3.403 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.361 4.499 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.698 4.359 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.472 4.220 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.496 2.933 -2.563 1.00 0.00 H new ATOM 316 N LYS A 29 10.073 3.207 1.420 1.00 0.00 N ATOM 317 CA LYS A 29 10.659 4.169 2.352 1.00 0.00 C ATOM 318 C LYS A 29 11.723 5.004 1.642 1.00 0.00 C ATOM 319 O LYS A 29 11.822 6.212 1.842 1.00 0.00 O ATOM 320 CB LYS A 29 11.245 3.428 3.569 1.00 0.00 C ATOM 321 CG LYS A 29 11.848 4.326 4.643 1.00 0.00 C ATOM 322 CD LYS A 29 13.290 4.692 4.331 1.00 0.00 C ATOM 323 CE LYS A 29 13.818 5.744 5.290 1.00 0.00 C ATOM 324 NZ LYS A 29 13.691 5.315 6.708 1.00 0.00 N ATOM 0 H LYS A 29 10.165 2.233 1.707 1.00 0.00 H new ATOM 0 HA LYS A 29 9.885 4.848 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.458 2.825 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.014 2.739 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.254 5.235 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.802 3.820 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.913 3.800 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.359 5.063 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.865 5.948 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.273 6.676 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.225 5.967 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.689 5.325 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.070 4.353 6.815 1.00 0.00 H new ATOM 338 N VAL A 30 12.495 4.348 0.796 1.00 0.00 N ATOM 339 CA VAL A 30 13.520 5.014 0.005 1.00 0.00 C ATOM 340 C VAL A 30 12.888 5.873 -1.076 1.00 0.00 C ATOM 341 O VAL A 30 13.411 6.922 -1.452 1.00 0.00 O ATOM 342 CB VAL A 30 14.464 3.980 -0.613 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.501 4.635 -1.512 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.123 3.185 0.498 1.00 0.00 C ATOM 0 H VAL A 30 12.432 3.343 0.636 1.00 0.00 H new ATOM 0 HA VAL A 30 14.097 5.665 0.662 1.00 0.00 H new ATOM 0 HB VAL A 30 13.885 3.306 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.153 3.870 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.998 5.167 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.096 5.338 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.797 2.446 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.688 3.859 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.358 2.678 1.086 1.00 0.00 H new ATOM 354 N TYR A 31 11.750 5.427 -1.552 1.00 0.00 N ATOM 355 CA TYR A 31 10.954 6.194 -2.483 1.00 0.00 C ATOM 356 C TYR A 31 10.477 7.478 -1.810 1.00 0.00 C ATOM 357 O TYR A 31 10.453 8.552 -2.421 1.00 0.00 O ATOM 358 CB TYR A 31 9.772 5.352 -2.949 1.00 0.00 C ATOM 359 CG TYR A 31 8.791 6.098 -3.808 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.046 6.325 -5.148 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.604 6.571 -3.276 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.143 7.000 -5.937 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.698 7.250 -4.054 1.00 0.00 C ATOM 364 CZ TYR A 31 6.968 7.462 -5.385 1.00 0.00 C ATOM 365 OH TYR A 31 6.057 8.133 -6.167 1.00 0.00 O ATOM 0 H TYR A 31 11.349 4.522 -1.305 1.00 0.00 H new ATOM 0 HA TYR A 31 11.553 6.464 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.148 4.494 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.250 4.961 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.968 5.967 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.386 6.403 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.354 7.167 -6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.778 7.615 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 31 6.117 7.809 -7.090 1.00 0.00 H new ATOM 375 N CYS A 32 10.127 7.358 -0.535 1.00 0.00 N ATOM 376 CA CYS A 32 9.689 8.499 0.254 1.00 0.00 C ATOM 377 C CYS A 32 10.864 9.400 0.599 1.00 0.00 C ATOM 378 O CYS A 32 10.699 10.585 0.851 1.00 0.00 O ATOM 379 CB CYS A 32 9.001 8.028 1.531 1.00 0.00 C ATOM 380 SG CYS A 32 7.564 6.983 1.235 1.00 0.00 S ATOM 0 H CYS A 32 10.139 6.475 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 32 8.978 9.071 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.720 7.479 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.693 8.899 2.110 1.00 0.00 H new ATOM 0 HG CYS A 32 6.481 7.643 1.520 1.00 0.00 H new ATOM 386 N ALA A 33 12.051 8.832 0.604 1.00 0.00 N ATOM 387 CA ALA A 33 13.259 9.594 0.850 1.00 0.00 C ATOM 388 C ALA A 33 13.673 10.339 -0.413 1.00 0.00 C ATOM 389 O ALA A 33 14.139 11.474 -0.360 1.00 0.00 O ATOM 390 CB ALA A 33 14.368 8.667 1.318 1.00 0.00 C ATOM 0 H ALA A 33 12.207 7.838 0.439 1.00 0.00 H new ATOM 0 HA ALA A 33 13.068 10.328 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.273 9.246 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.063 8.170 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.565 7.919 0.550 1.00 0.00 H new ATOM 396 N LYS A 34 13.467 9.688 -1.549 1.00 0.00 N ATOM 397 CA LYS A 34 13.832 10.238 -2.843 1.00 0.00 C ATOM 398 C LYS A 34 12.898 11.370 -3.250 1.00 0.00 C ATOM 399 O LYS A 34 13.344 12.412 -3.721 1.00 0.00 O ATOM 400 CB LYS A 34 13.811 9.125 -3.897 1.00 0.00 C ATOM 401 CG LYS A 34 14.210 9.583 -5.286 1.00 0.00 C ATOM 402 CD LYS A 34 14.083 8.473 -6.323 1.00 0.00 C ATOM 403 CE LYS A 34 15.106 7.359 -6.124 1.00 0.00 C ATOM 404 NZ LYS A 34 14.643 6.301 -5.183 1.00 0.00 N ATOM 0 H LYS A 34 13.041 8.762 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 34 14.838 10.652 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.484 8.327 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.809 8.699 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.585 10.426 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.239 9.941 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.079 8.051 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.204 8.897 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.332 6.905 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.035 7.789 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.333 6.196 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.720 6.569 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.552 5.399 -5.692 1.00 0.00 H new ATOM 418 N ASN A 35 11.607 11.167 -3.058 1.00 0.00 N ATOM 419 CA ASN A 35 10.623 12.181 -3.420 1.00 0.00 C ATOM 420 C ASN A 35 10.288 13.046 -2.224 1.00 0.00 C ATOM 421 O ASN A 35 9.452 13.949 -2.312 1.00 0.00 O ATOM 422 CB ASN A 35 9.342 11.533 -3.940 1.00 0.00 C ATOM 423 CG ASN A 35 9.541 10.824 -5.263 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.373 11.414 -6.327 1.00 0.00 O ATOM 425 ND2 ASN A 35 9.901 9.552 -5.205 1.00 0.00 N ATOM 0 H ASN A 35 11.213 10.316 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 35 11.058 12.798 -4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.975 10.820 -3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.573 12.297 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.050 9.024 -6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.030 9.099 -4.300 1.00 0.00 H new ATOM 432 N ASN A 36 10.952 12.762 -1.106 1.00 0.00 N ATOM 433 CA ASN A 36 10.655 13.427 0.166 1.00 0.00 C ATOM 434 C ASN A 36 9.181 13.265 0.548 1.00 0.00 C ATOM 435 O ASN A 36 8.633 14.068 1.304 1.00 0.00 O ATOM 436 CB ASN A 36 11.030 14.911 0.099 1.00 0.00 C ATOM 437 CG ASN A 36 12.519 15.158 0.319 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.311 15.095 -0.619 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.908 15.466 1.552 1.00 0.00 N ATOM 0 H ASN A 36 11.703 12.073 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 36 11.257 12.949 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.741 15.310 -0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.461 15.458 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.891 15.659 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.223 15.509 2.307 1.00 0.00 H new ATOM 446 N LEU A 37 8.560 12.211 0.027 1.00 0.00 N ATOM 447 CA LEU A 37 7.164 11.905 0.311 1.00 0.00 C ATOM 448 C LEU A 37 6.985 11.391 1.729 1.00 0.00 C ATOM 449 O LEU A 37 7.953 11.058 2.417 1.00 0.00 O ATOM 450 CB LEU A 37 6.647 10.846 -0.663 1.00 0.00 C ATOM 451 CG LEU A 37 5.611 11.333 -1.675 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.175 12.457 -2.528 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.140 10.174 -2.542 1.00 0.00 C ATOM 0 H LEU A 37 9.010 11.547 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 37 6.599 12.830 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.496 10.434 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.211 10.030 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 37 4.753 11.728 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.419 12.787 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.459 13.292 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.052 12.099 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.402 10.533 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.990 9.751 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.690 9.407 -1.911 1.00 0.00 H new ATOM 465 N GLN A 38 5.737 11.339 2.158 1.00 0.00 N ATOM 466 CA GLN A 38 5.396 10.722 3.422 1.00 0.00 C ATOM 467 C GLN A 38 5.158 9.241 3.209 1.00 0.00 C ATOM 468 O GLN A 38 4.501 8.864 2.236 1.00 0.00 O ATOM 469 CB GLN A 38 4.145 11.344 4.032 1.00 0.00 C ATOM 470 CG GLN A 38 4.292 12.808 4.381 1.00 0.00 C ATOM 471 CD GLN A 38 3.005 13.388 4.929 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.220 12.690 5.570 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.771 14.660 4.675 1.00 0.00 N ATOM 0 H GLN A 38 4.941 11.719 1.645 1.00 0.00 H new ATOM 0 HA GLN A 38 6.227 10.882 4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.317 11.229 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.880 10.791 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.087 12.928 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.593 13.365 3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.446 15.206 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.915 15.098 5.014 1.00 0.00 H new ATOM 482 N LEU A 39 5.698 8.416 4.092 1.00 0.00 N ATOM 483 CA LEU A 39 5.497 6.967 4.024 1.00 0.00 C ATOM 484 C LEU A 39 4.029 6.633 3.771 1.00 0.00 C ATOM 485 O LEU A 39 3.696 5.906 2.831 1.00 0.00 O ATOM 486 CB LEU A 39 5.960 6.301 5.319 1.00 0.00 C ATOM 487 CG LEU A 39 7.038 5.223 5.162 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.668 4.234 4.069 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.389 5.854 4.876 1.00 0.00 C ATOM 0 H LEU A 39 6.283 8.722 4.870 1.00 0.00 H new ATOM 0 HA LEU A 39 6.091 6.585 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.339 7.073 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.093 5.854 5.806 1.00 0.00 H new ATOM 0 HG LEU A 39 7.105 4.676 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.451 3.481 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.725 3.749 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.563 4.762 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.140 5.072 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.332 6.433 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.665 6.511 5.700 1.00 0.00 H new ATOM 501 N THR A 40 3.160 7.200 4.592 1.00 0.00 N ATOM 502 CA THR A 40 1.733 6.962 4.483 1.00 0.00 C ATOM 503 C THR A 40 1.200 7.380 3.121 1.00 0.00 C ATOM 504 O THR A 40 0.506 6.611 2.460 1.00 0.00 O ATOM 505 CB THR A 40 0.972 7.731 5.572 1.00 0.00 C ATOM 506 OG1 THR A 40 1.677 7.638 6.816 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.441 7.192 5.736 1.00 0.00 C ATOM 0 H THR A 40 3.423 7.833 5.347 1.00 0.00 H new ATOM 0 HA THR A 40 1.576 5.891 4.609 1.00 0.00 H new ATOM 0 HB THR A 40 0.905 8.776 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.188 8.132 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.957 7.755 6.514 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.981 7.295 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.399 6.140 6.017 1.00 0.00 H new ATOM 515 N GLN A 41 1.545 8.597 2.708 1.00 0.00 N ATOM 516 CA GLN A 41 1.092 9.133 1.432 1.00 0.00 C ATOM 517 C GLN A 41 1.472 8.196 0.289 1.00 0.00 C ATOM 518 O GLN A 41 0.696 7.993 -0.644 1.00 0.00 O ATOM 519 CB GLN A 41 1.696 10.519 1.211 1.00 0.00 C ATOM 520 CG GLN A 41 1.062 11.287 0.062 1.00 0.00 C ATOM 521 CD GLN A 41 1.710 12.639 -0.164 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.315 13.641 0.437 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.705 12.677 -1.035 1.00 0.00 N ATOM 0 H GLN A 41 2.139 9.231 3.242 1.00 0.00 H new ATOM 0 HA GLN A 41 0.006 9.218 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.592 11.101 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.764 10.414 1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.137 10.695 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.000 11.427 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.000 11.824 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.177 13.559 -1.232 1.00 0.00 H new ATOM 532 N ALA A 42 2.656 7.607 0.390 1.00 0.00 N ATOM 533 CA ALA A 42 3.153 6.682 -0.620 1.00 0.00 C ATOM 534 C ALA A 42 2.370 5.377 -0.603 1.00 0.00 C ATOM 535 O ALA A 42 2.001 4.864 -1.655 1.00 0.00 O ATOM 536 CB ALA A 42 4.620 6.415 -0.394 1.00 0.00 C ATOM 0 H ALA A 42 3.296 7.756 1.170 1.00 0.00 H new ATOM 0 HA ALA A 42 3.019 7.140 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.985 5.723 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.175 7.351 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.762 5.978 0.594 1.00 0.00 H new ATOM 542 N ILE A 43 2.116 4.842 0.591 1.00 0.00 N ATOM 543 CA ILE A 43 1.296 3.639 0.721 1.00 0.00 C ATOM 544 C ILE A 43 -0.077 3.867 0.108 1.00 0.00 C ATOM 545 O ILE A 43 -0.580 3.036 -0.644 1.00 0.00 O ATOM 546 CB ILE A 43 1.126 3.205 2.202 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.195 2.183 2.597 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.267 2.647 2.447 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.600 2.737 2.608 1.00 0.00 C ATOM 0 H ILE A 43 2.462 5.218 1.474 1.00 0.00 H new ATOM 0 HA ILE A 43 1.815 2.841 0.190 1.00 0.00 H new ATOM 0 HB ILE A 43 1.253 4.089 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.962 1.793 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.152 1.342 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.361 2.350 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.010 3.411 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.429 1.780 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.298 1.952 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.855 3.101 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.662 3.559 3.322 1.00 0.00 H new ATOM 561 N GLU A 44 -0.667 5.003 0.433 1.00 0.00 N ATOM 562 CA GLU A 44 -1.995 5.344 -0.045 1.00 0.00 C ATOM 563 C GLU A 44 -2.009 5.465 -1.559 1.00 0.00 C ATOM 564 O GLU A 44 -2.920 4.969 -2.206 1.00 0.00 O ATOM 565 CB GLU A 44 -2.478 6.641 0.595 1.00 0.00 C ATOM 566 CG GLU A 44 -2.601 6.564 2.105 1.00 0.00 C ATOM 567 CD GLU A 44 -3.080 7.859 2.713 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.248 8.749 2.964 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.297 7.992 2.932 1.00 0.00 O ATOM 0 H GLU A 44 -0.243 5.711 1.032 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.675 4.541 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.788 7.444 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.447 6.906 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.293 5.764 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.633 6.302 2.532 1.00 0.00 H new ATOM 576 N GLU A 45 -0.995 6.115 -2.117 1.00 0.00 N ATOM 577 CA GLU A 45 -0.852 6.198 -3.566 1.00 0.00 C ATOM 578 C GLU A 45 -0.642 4.809 -4.146 1.00 0.00 C ATOM 579 O GLU A 45 -1.188 4.475 -5.199 1.00 0.00 O ATOM 580 CB GLU A 45 0.323 7.103 -3.955 1.00 0.00 C ATOM 581 CG GLU A 45 0.126 8.567 -3.597 1.00 0.00 C ATOM 582 CD GLU A 45 -1.076 9.184 -4.279 1.00 0.00 C ATOM 583 OE1 GLU A 45 -0.977 9.538 -5.472 1.00 0.00 O ATOM 584 OE2 GLU A 45 -2.126 9.333 -3.618 1.00 0.00 O ATOM 0 H GLU A 45 -0.262 6.591 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.767 6.630 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.226 6.739 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.489 7.022 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.012 8.659 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.020 9.126 -3.872 1.00 0.00 H new ATOM 591 N ALA A 46 0.132 3.997 -3.435 1.00 0.00 N ATOM 592 CA ALA A 46 0.421 2.646 -3.865 1.00 0.00 C ATOM 593 C ALA A 46 -0.849 1.822 -3.928 1.00 0.00 C ATOM 594 O ALA A 46 -1.188 1.246 -4.960 1.00 0.00 O ATOM 595 CB ALA A 46 1.418 1.994 -2.918 1.00 0.00 C ATOM 0 H ALA A 46 0.571 4.259 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 46 0.856 2.690 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.627 0.978 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.343 2.571 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.999 1.966 -1.912 1.00 0.00 H new ATOM 601 N ILE A 47 -1.560 1.795 -2.813 1.00 0.00 N ATOM 602 CA ILE A 47 -2.746 0.995 -2.680 1.00 0.00 C ATOM 603 C ILE A 47 -3.890 1.568 -3.529 1.00 0.00 C ATOM 604 O ILE A 47 -4.776 0.838 -3.974 1.00 0.00 O ATOM 605 CB ILE A 47 -3.146 0.885 -1.191 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.168 -0.229 -0.986 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.655 2.213 -0.654 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.693 -0.290 0.428 1.00 0.00 C ATOM 0 H ILE A 47 -1.323 2.331 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.538 -0.008 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.253 0.628 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.002 -0.081 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.712 -1.186 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.928 2.101 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.873 2.967 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.530 2.525 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.416 -1.101 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.866 -0.467 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.177 0.654 0.678 1.00 0.00 H new ATOM 620 N LYS A 48 -3.840 2.874 -3.780 1.00 0.00 N ATOM 621 CA LYS A 48 -4.828 3.540 -4.618 1.00 0.00 C ATOM 622 C LYS A 48 -4.679 3.103 -6.066 1.00 0.00 C ATOM 623 O LYS A 48 -5.622 2.596 -6.675 1.00 0.00 O ATOM 624 CB LYS A 48 -4.654 5.060 -4.526 1.00 0.00 C ATOM 625 CG LYS A 48 -5.547 5.871 -5.460 1.00 0.00 C ATOM 626 CD LYS A 48 -6.863 6.291 -4.810 1.00 0.00 C ATOM 627 CE LYS A 48 -7.832 5.130 -4.648 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.154 5.586 -4.146 1.00 0.00 N ATOM 0 H LYS A 48 -3.119 3.494 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.821 3.264 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.850 5.371 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.614 5.305 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.009 6.761 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.760 5.282 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.658 6.727 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.331 7.068 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.960 4.626 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.412 4.399 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.789 4.768 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.034 6.045 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.565 6.265 -4.818 1.00 0.00 H new ATOM 642 N GLU A 49 -3.478 3.281 -6.602 1.00 0.00 N ATOM 643 CA GLU A 49 -3.210 2.953 -7.998 1.00 0.00 C ATOM 644 C GLU A 49 -3.207 1.444 -8.206 1.00 0.00 C ATOM 645 O GLU A 49 -3.195 0.960 -9.333 1.00 0.00 O ATOM 646 CB GLU A 49 -1.867 3.560 -8.455 1.00 0.00 C ATOM 647 CG GLU A 49 -1.933 5.034 -8.884 1.00 0.00 C ATOM 648 CD GLU A 49 -0.593 5.729 -8.791 1.00 0.00 C ATOM 649 OE1 GLU A 49 0.411 5.148 -9.247 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.545 6.881 -8.304 1.00 0.00 O ATOM 0 H GLU A 49 -2.675 3.650 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.007 3.384 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.147 3.466 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.484 2.971 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.298 5.094 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.654 5.559 -8.257 1.00 0.00 H new ATOM 657 N TYR A 50 -3.237 0.710 -7.111 1.00 0.00 N ATOM 658 CA TYR A 50 -3.271 -0.727 -7.153 1.00 0.00 C ATOM 659 C TYR A 50 -4.684 -1.211 -7.424 1.00 0.00 C ATOM 660 O TYR A 50 -4.899 -2.074 -8.272 1.00 0.00 O ATOM 661 CB TYR A 50 -2.751 -1.266 -5.832 1.00 0.00 C ATOM 662 CG TYR A 50 -2.935 -2.743 -5.627 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.202 -3.669 -6.354 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.822 -3.201 -4.671 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.359 -5.020 -6.135 1.00 0.00 C ATOM 666 CE2 TYR A 50 -3.986 -4.550 -4.440 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.253 -5.461 -5.176 1.00 0.00 C ATOM 668 OH TYR A 50 -3.417 -6.811 -4.961 1.00 0.00 O ATOM 0 H TYR A 50 -3.238 1.100 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.637 -1.092 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.689 -1.034 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.251 -0.738 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.500 -3.327 -7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.396 -2.490 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.786 -5.732 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.683 -4.892 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.201 -6.959 -4.392 1.00 0.00 H new ATOM 678 N LEU A 51 -5.644 -0.642 -6.708 1.00 0.00 N ATOM 679 CA LEU A 51 -7.045 -0.983 -6.910 1.00 0.00 C ATOM 680 C LEU A 51 -7.502 -0.654 -8.319 1.00 0.00 C ATOM 681 O LEU A 51 -8.227 -1.430 -8.932 1.00 0.00 O ATOM 682 CB LEU A 51 -7.945 -0.272 -5.901 1.00 0.00 C ATOM 683 CG LEU A 51 -8.259 -1.052 -4.622 1.00 0.00 C ATOM 684 CD1 LEU A 51 -7.902 -2.525 -4.768 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.549 -0.429 -3.431 1.00 0.00 C ATOM 0 H LEU A 51 -5.479 0.057 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.129 -2.059 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.473 0.670 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.886 -0.024 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.333 -0.995 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.137 -3.050 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.475 -2.959 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.837 -2.622 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.783 -0.996 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.472 -0.445 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.881 0.602 -3.308 1.00 0.00 H new ATOM 697 N GLN A 52 -7.065 0.478 -8.841 1.00 0.00 N ATOM 698 CA GLN A 52 -7.495 0.897 -10.173 1.00 0.00 C ATOM 699 C GLN A 52 -6.776 0.107 -11.253 1.00 0.00 C ATOM 700 O GLN A 52 -7.304 -0.095 -12.348 1.00 0.00 O ATOM 701 CB GLN A 52 -7.277 2.394 -10.390 1.00 0.00 C ATOM 702 CG GLN A 52 -8.427 3.260 -9.897 1.00 0.00 C ATOM 703 CD GLN A 52 -8.589 3.233 -8.396 1.00 0.00 C ATOM 704 OE1 GLN A 52 -9.306 2.398 -7.844 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.929 4.154 -7.726 1.00 0.00 N ATOM 0 H GLN A 52 -6.422 1.119 -8.375 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.564 0.694 -10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.362 2.696 -9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.125 2.579 -11.453 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.264 4.288 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.353 2.923 -10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.346 4.827 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.001 4.195 -6.709 1.00 0.00 H new ATOM 844 N ALA B 14 8.383 -6.591 8.870 1.00 0.00 N ATOM 845 CA ALA B 14 8.399 -5.353 9.615 1.00 0.00 C ATOM 846 C ALA B 14 6.970 -4.951 9.933 1.00 0.00 C ATOM 847 O ALA B 14 6.027 -5.534 9.402 1.00 0.00 O ATOM 848 CB ALA B 14 9.086 -4.262 8.817 1.00 0.00 C ATOM 0 HA ALA B 14 8.955 -5.495 10.542 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.089 -3.337 9.393 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.113 -4.559 8.603 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.551 -4.104 7.880 1.00 0.00 H new ATOM 854 N VAL B 15 6.801 -3.971 10.795 1.00 0.00 N ATOM 855 CA VAL B 15 5.471 -3.500 11.137 1.00 0.00 C ATOM 856 C VAL B 15 5.264 -2.121 10.543 1.00 0.00 C ATOM 857 O VAL B 15 6.228 -1.437 10.192 1.00 0.00 O ATOM 858 CB VAL B 15 5.246 -3.426 12.660 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.760 -3.469 12.999 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.999 -4.533 13.378 1.00 0.00 C ATOM 0 H VAL B 15 7.562 -3.486 11.271 1.00 0.00 H new ATOM 0 HA VAL B 15 4.756 -4.215 10.730 1.00 0.00 H new ATOM 0 HB VAL B 15 5.641 -2.471 13.008 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.632 -3.415 14.080 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.255 -2.624 12.531 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.329 -4.399 12.628 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.822 -4.457 14.451 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.650 -5.502 13.021 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.066 -4.436 13.178 1.00 0.00 H new ATOM 870 N PHE B 16 4.020 -1.712 10.440 1.00 0.00 N ATOM 871 CA PHE B 16 3.696 -0.421 9.869 1.00 0.00 C ATOM 872 C PHE B 16 2.413 0.107 10.488 1.00 0.00 C ATOM 873 O PHE B 16 1.390 -0.575 10.472 1.00 0.00 O ATOM 874 CB PHE B 16 3.550 -0.553 8.353 1.00 0.00 C ATOM 875 CG PHE B 16 3.811 0.718 7.607 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.933 1.480 7.895 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.949 1.150 6.614 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.188 2.648 7.208 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.201 2.316 5.923 1.00 0.00 C ATOM 880 CZ PHE B 16 4.321 3.067 6.220 1.00 0.00 C ATOM 0 H PHE B 16 3.212 -2.255 10.745 1.00 0.00 H new ATOM 0 HA PHE B 16 4.499 0.285 10.082 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.238 -1.320 7.997 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.542 -0.897 8.123 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.615 1.155 8.667 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.070 0.568 6.378 1.00 0.00 H new ATOM 0 HE1 PHE B 16 6.065 3.234 7.443 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.522 2.642 5.149 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.518 3.981 5.680 1.00 0.00 H new ATOM 890 N GLY B 17 2.482 1.305 11.054 1.00 0.00 N ATOM 891 CA GLY B 17 1.322 1.904 11.686 1.00 0.00 C ATOM 892 C GLY B 17 1.094 3.320 11.206 1.00 0.00 C ATOM 893 O GLY B 17 1.704 4.260 11.713 1.00 0.00 O ATOM 0 H GLY B 17 3.327 1.876 11.087 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.439 1.301 11.473 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.456 1.903 12.768 1.00 0.00 H new ATOM 897 N ILE B 18 0.225 3.476 10.219 1.00 0.00 N ATOM 898 CA ILE B 18 0.010 4.771 9.594 1.00 0.00 C ATOM 899 C ILE B 18 -1.455 5.182 9.625 1.00 0.00 C ATOM 900 O ILE B 18 -2.335 4.367 9.906 1.00 0.00 O ATOM 901 CB ILE B 18 0.485 4.760 8.135 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.202 3.631 7.356 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.991 4.603 8.096 1.00 0.00 C ATOM 904 CD1 ILE B 18 0.020 3.697 5.864 1.00 0.00 C ATOM 0 H ILE B 18 -0.343 2.721 9.834 1.00 0.00 H new ATOM 0 HA ILE B 18 0.590 5.492 10.169 1.00 0.00 H new ATOM 0 HB ILE B 18 0.216 5.704 7.662 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.163 2.673 7.726 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.273 3.663 7.556 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.329 4.595 7.060 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.457 5.435 8.624 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.272 3.666 8.576 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.496 2.867 5.382 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.371 4.639 5.479 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.087 3.633 5.652 1.00 0.00 H new ATOM 916 N TYR B 19 -1.700 6.453 9.335 1.00 0.00 N ATOM 917 CA TYR B 19 -3.054 6.976 9.247 1.00 0.00 C ATOM 918 C TYR B 19 -3.412 7.237 7.791 1.00 0.00 C ATOM 919 O TYR B 19 -3.109 8.298 7.247 1.00 0.00 O ATOM 920 CB TYR B 19 -3.198 8.270 10.049 1.00 0.00 C ATOM 921 CG TYR B 19 -2.901 8.125 11.524 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.697 7.333 12.339 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.836 8.802 12.103 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.439 7.218 13.689 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.570 8.688 13.452 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.375 7.896 14.240 1.00 0.00 C ATOM 927 OH TYR B 19 -2.120 7.792 15.587 1.00 0.00 O ATOM 0 H TYR B 19 -0.972 7.144 9.156 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.733 6.234 9.666 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.529 9.021 9.628 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.214 8.646 9.930 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.531 6.798 11.910 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.206 9.428 11.488 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.069 6.599 14.311 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.735 9.217 13.887 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.334 8.331 15.814 1.00 0.00 H new ATOM 937 N MET B 20 -4.051 6.262 7.171 1.00 0.00 N ATOM 938 CA MET B 20 -4.432 6.354 5.764 1.00 0.00 C ATOM 939 C MET B 20 -5.937 6.575 5.648 1.00 0.00 C ATOM 940 O MET B 20 -6.671 6.319 6.602 1.00 0.00 O ATOM 941 CB MET B 20 -4.007 5.082 5.008 1.00 0.00 C ATOM 942 CG MET B 20 -4.660 3.806 5.517 1.00 0.00 C ATOM 943 SD MET B 20 -3.884 2.313 4.852 1.00 0.00 S ATOM 944 CE MET B 20 -4.251 2.467 3.106 1.00 0.00 C ATOM 0 H MET B 20 -4.321 5.387 7.621 1.00 0.00 H new ATOM 0 HA MET B 20 -3.919 7.203 5.312 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.247 5.203 3.952 1.00 0.00 H new ATOM 0 HB3 MET B 20 -2.924 4.976 5.078 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.607 3.784 6.605 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.717 3.812 5.250 1.00 0.00 H new ATOM 0 HE1 MET B 20 -4.614 1.513 2.725 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.016 3.230 2.961 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.347 2.752 2.568 1.00 0.00 H new ATOM 954 N ASP B 21 -6.397 7.053 4.494 1.00 0.00 N ATOM 955 CA ASP B 21 -7.816 7.337 4.303 1.00 0.00 C ATOM 956 C ASP B 21 -8.661 6.084 4.464 1.00 0.00 C ATOM 957 O ASP B 21 -8.187 4.961 4.263 1.00 0.00 O ATOM 958 CB ASP B 21 -8.108 7.957 2.933 1.00 0.00 C ATOM 959 CG ASP B 21 -8.071 9.475 2.933 1.00 0.00 C ATOM 960 OD1 ASP B 21 -6.975 10.059 2.825 1.00 0.00 O ATOM 961 OD2 ASP B 21 -9.156 10.093 3.007 1.00 0.00 O ATOM 0 H ASP B 21 -5.812 7.251 3.682 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.081 8.059 5.076 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.380 7.584 2.212 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.090 7.626 2.595 1.00 0.00 H new ATOM 966 N LYS B 22 -9.921 6.281 4.796 1.00 0.00 N ATOM 967 CA LYS B 22 -10.819 5.182 5.069 1.00 0.00 C ATOM 968 C LYS B 22 -11.273 4.536 3.779 1.00 0.00 C ATOM 969 O LYS B 22 -10.954 3.385 3.526 1.00 0.00 O ATOM 970 CB LYS B 22 -12.026 5.686 5.860 1.00 0.00 C ATOM 971 CG LYS B 22 -13.100 4.637 6.100 1.00 0.00 C ATOM 972 CD LYS B 22 -14.279 5.229 6.857 1.00 0.00 C ATOM 973 CE LYS B 22 -15.371 4.203 7.110 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.551 4.817 7.775 1.00 0.00 N ATOM 0 H LYS B 22 -10.348 7.203 4.883 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.291 4.434 5.660 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.682 6.064 6.823 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.469 6.527 5.327 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.441 4.235 5.146 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.681 3.805 6.665 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.933 5.631 7.809 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.691 6.064 6.290 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.677 3.755 6.165 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -14.979 3.398 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.278 4.090 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.263 5.223 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -16.939 5.568 7.169 1.00 0.00 H new ATOM 988 N ASP B 23 -11.984 5.303 2.964 1.00 0.00 N ATOM 989 CA ASP B 23 -12.581 4.795 1.726 1.00 0.00 C ATOM 990 C ASP B 23 -11.567 4.031 0.879 1.00 0.00 C ATOM 991 O ASP B 23 -11.880 2.993 0.302 1.00 0.00 O ATOM 992 CB ASP B 23 -13.165 5.946 0.909 1.00 0.00 C ATOM 993 CG ASP B 23 -13.750 5.484 -0.408 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.914 5.032 -0.424 1.00 0.00 O ATOM 995 OD2 ASP B 23 -13.053 5.572 -1.437 1.00 0.00 O ATOM 0 H ASP B 23 -12.166 6.292 3.137 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.375 4.104 2.008 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.940 6.445 1.492 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.386 6.684 0.718 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.353 4.548 0.835 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.272 3.953 0.076 1.00 0.00 C ATOM 1002 C LEU B 24 -8.822 2.633 0.714 1.00 0.00 C ATOM 1003 O LEU B 24 -8.823 1.590 0.057 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.150 4.998 -0.011 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.781 4.557 -0.525 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -5.940 4.104 0.648 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -6.897 3.461 -1.576 1.00 0.00 C ATOM 0 H LEU B 24 -10.089 5.400 1.330 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.589 3.690 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.500 5.807 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.010 5.418 0.985 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.298 5.403 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -4.960 3.787 0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.821 4.929 1.351 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.432 3.270 1.148 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.901 3.176 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.395 2.593 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.478 3.828 -2.422 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.458 2.674 1.993 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.025 1.472 2.697 1.00 0.00 C ATOM 1021 C LYS B 25 -9.162 0.455 2.732 1.00 0.00 C ATOM 1022 O LYS B 25 -8.950 -0.757 2.702 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.631 1.825 4.127 1.00 0.00 C ATOM 1024 CG LYS B 25 -6.958 0.690 4.868 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.823 0.996 6.351 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.059 0.573 7.141 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.281 1.336 6.759 1.00 0.00 N ATOM 0 H LYS B 25 -8.454 3.522 2.560 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.168 1.047 2.174 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.960 2.684 4.109 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.522 2.128 4.676 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.535 -0.225 4.735 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.971 0.510 4.441 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.947 0.483 6.748 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.655 2.065 6.486 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.237 -0.491 6.985 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.869 0.711 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.016 1.198 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.051 2.348 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.630 0.995 5.840 1.00 0.00 H new ATOM 1041 N THR B 26 -10.369 0.981 2.794 1.00 0.00 N ATOM 1042 CA THR B 26 -11.570 0.170 2.913 1.00 0.00 C ATOM 1043 C THR B 26 -11.956 -0.440 1.569 1.00 0.00 C ATOM 1044 O THR B 26 -12.455 -1.562 1.509 1.00 0.00 O ATOM 1045 CB THR B 26 -12.732 0.996 3.510 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.462 1.259 4.896 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.067 0.274 3.378 1.00 0.00 C ATOM 0 H THR B 26 -10.548 1.985 2.763 1.00 0.00 H new ATOM 0 HA THR B 26 -11.358 -0.652 3.597 1.00 0.00 H new ATOM 0 HB THR B 26 -12.804 1.930 2.953 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.862 2.030 4.972 1.00 0.00 H new ATOM 0 HG21 THR B 26 -14.857 0.888 3.810 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.281 0.095 2.324 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.019 -0.679 3.905 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.700 0.291 0.497 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.847 -0.245 -0.849 1.00 0.00 C ATOM 1057 C ARG B 27 -10.992 -1.497 -0.990 1.00 0.00 C ATOM 1058 O ARG B 27 -11.462 -2.544 -1.433 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.436 0.814 -1.883 1.00 0.00 C ATOM 1060 CG ARG B 27 -10.980 0.259 -3.223 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.060 -0.570 -3.912 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.309 0.171 -4.079 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.499 -0.408 -4.236 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.602 -1.735 -4.314 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.588 0.347 -4.329 1.00 0.00 N ATOM 0 H ARG B 27 -11.388 1.261 0.532 1.00 0.00 H new ATOM 0 HA ARG B 27 -12.890 -0.509 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.280 1.483 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.631 1.417 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.689 1.084 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.093 -0.357 -3.074 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.699 -0.893 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.250 -1.471 -3.329 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.267 1.190 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -13.766 -2.316 -4.253 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.517 -2.169 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.510 1.363 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.502 -0.089 -4.449 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.740 -1.371 -0.594 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.816 -2.490 -0.590 1.00 0.00 C ATOM 1081 C LEU B 28 -9.299 -3.586 0.369 1.00 0.00 C ATOM 1082 O LEU B 28 -9.137 -4.774 0.097 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.424 -1.981 -0.211 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.268 -2.961 -0.368 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.245 -3.930 0.785 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.360 -3.689 -1.696 1.00 0.00 C ATOM 0 H LEU B 28 -9.335 -0.494 -0.267 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.768 -2.935 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.208 -1.101 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.453 -1.654 0.828 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.332 -2.402 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.414 -4.624 0.660 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.122 -3.381 1.719 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.182 -4.486 0.812 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.525 -4.384 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.299 -4.241 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.322 -2.966 -2.511 1.00 0.00 H new ATOM 1098 N LYS B 29 -9.893 -3.182 1.485 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.478 -4.130 2.432 1.00 0.00 C ATOM 1100 C LYS B 29 -11.541 -4.975 1.736 1.00 0.00 C ATOM 1101 O LYS B 29 -11.638 -6.182 1.949 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.059 -3.372 3.639 1.00 0.00 C ATOM 1103 CG LYS B 29 -11.663 -4.256 4.726 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.106 -4.628 4.423 1.00 0.00 C ATOM 1105 CE LYS B 29 -13.632 -5.671 5.397 1.00 0.00 C ATOM 1106 NZ LYS B 29 -13.501 -5.234 6.813 1.00 0.00 N ATOM 0 H LYS B 29 -9.984 -2.204 1.759 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.704 -4.804 2.799 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.269 -2.765 4.082 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.826 -2.685 3.282 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.068 -5.164 4.827 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.616 -3.737 5.683 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.730 -3.736 4.472 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.177 -5.011 3.405 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.680 -5.875 5.177 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.088 -6.605 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.034 -5.882 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.498 -5.243 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.879 -4.271 6.915 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.318 -4.332 0.883 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.343 -5.009 0.103 1.00 0.00 C ATOM 1122 C VAL B 30 -12.715 -5.882 -0.969 1.00 0.00 C ATOM 1123 O VAL B 30 -13.243 -6.933 -1.335 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.290 -3.983 -0.526 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.327 -4.652 -1.412 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -14.947 -3.174 0.575 1.00 0.00 C ATOM 0 H VAL B 30 -12.258 -3.328 0.710 1.00 0.00 H new ATOM 0 HA VAL B 30 -13.917 -5.653 0.770 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.714 -3.315 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -15.982 -3.894 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.825 -5.195 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -15.919 -5.348 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.623 -2.441 0.134 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.510 -3.840 1.229 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.181 -2.659 1.154 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.575 -5.444 -1.451 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.782 -6.223 -2.375 1.00 0.00 C ATOM 1138 C TYR B 31 -10.301 -7.497 -1.688 1.00 0.00 C ATOM 1139 O TYR B 31 -10.277 -8.576 -2.288 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.600 -5.387 -2.853 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.622 -6.147 -3.706 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -8.884 -6.396 -5.042 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.435 -6.618 -3.169 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -7.986 -7.089 -5.822 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.533 -7.312 -3.939 1.00 0.00 C ATOM 1146 CZ TYR B 31 -6.812 -7.549 -5.266 1.00 0.00 C ATOM 1147 OH TYR B 31 -5.909 -8.240 -6.040 1.00 0.00 O ATOM 0 H TYR B 31 -11.171 -4.538 -1.214 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.385 -6.503 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -9.976 -4.535 -3.419 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.076 -4.987 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -9.806 -6.042 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.215 -6.437 -2.127 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.201 -7.271 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.611 -7.669 -3.506 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.012 -7.870 -5.905 1.00 0.00 H new ATOM 1157 N CYS B 32 -9.949 -7.360 -0.415 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.512 -8.492 0.390 1.00 0.00 C ATOM 1159 C CYS B 32 -10.687 -9.388 0.746 1.00 0.00 C ATOM 1160 O CYS B 32 -10.521 -10.568 1.013 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.824 -8.005 1.661 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.386 -6.966 1.351 1.00 0.00 S ATOM 0 H CYS B 32 -9.958 -6.470 0.083 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.801 -9.072 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.542 -7.447 2.262 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.517 -8.868 2.252 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.304 -7.624 1.645 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.874 -8.817 0.745 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.083 -9.574 1.007 1.00 0.00 C ATOM 1170 C ALA B 33 -13.498 -10.337 -0.245 1.00 0.00 C ATOM 1171 O ALA B 33 -13.976 -11.469 -0.180 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.189 -8.635 1.458 1.00 0.00 C ATOM 0 H ALA B 33 -12.029 -7.825 0.565 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.895 -10.295 1.803 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.095 -9.208 1.654 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.881 -8.121 2.368 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.385 -7.902 0.676 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.292 -9.700 -1.390 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.662 -10.267 -2.675 1.00 0.00 C ATOM 1180 C LYS B 34 -12.734 -11.404 -3.070 1.00 0.00 C ATOM 1181 O LYS B 34 -13.183 -12.452 -3.529 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.648 -9.167 -3.744 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.052 -9.644 -5.126 1.00 0.00 C ATOM 1184 CD LYS B 34 -13.925 -8.548 -6.179 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.947 -7.432 -5.988 1.00 0.00 C ATOM 1186 NZ LYS B 34 -14.471 -6.360 -5.067 1.00 0.00 N ATOM 0 H LYS B 34 -12.864 -8.776 -1.452 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.667 -10.680 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.321 -8.367 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.647 -8.739 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.429 -10.492 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.082 -10.000 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.920 -8.127 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.050 -8.985 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -15.183 -6.993 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.872 -7.856 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.169 -6.219 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.560 -6.639 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.352 -5.474 -5.598 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.442 -11.201 -2.882 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.460 -12.220 -3.232 1.00 0.00 C ATOM 1202 C ASN B 35 -10.124 -13.068 -2.026 1.00 0.00 C ATOM 1203 O ASN B 35 -9.287 -13.969 -2.104 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.179 -11.580 -3.761 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.374 -10.891 -5.093 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.201 -11.499 -6.146 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.739 -9.619 -5.057 1.00 0.00 N ATOM 0 H ASN B 35 -11.047 -10.346 -2.491 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.896 -12.847 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.813 -10.856 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.411 -12.346 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -9.887 -9.106 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -9.872 -9.152 -4.160 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.781 -12.767 -0.908 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.482 -13.418 0.373 1.00 0.00 C ATOM 1216 C ASN B 36 -9.005 -13.257 0.744 1.00 0.00 C ATOM 1217 O ASN B 36 -8.444 -14.062 1.490 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.865 -14.900 0.324 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.356 -15.134 0.549 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.152 -15.056 -0.389 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.743 -15.445 1.783 1.00 0.00 N ATOM 0 H ASN B 36 -11.528 -12.074 -0.860 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.077 -12.930 1.145 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.579 -15.312 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.299 -15.442 1.081 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.727 -15.628 1.978 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.055 -15.500 2.534 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.387 -12.205 0.214 1.00 0.00 N ATOM 1229 CA LEU B 37 -6.989 -11.896 0.489 1.00 0.00 C ATOM 1230 C LEU B 37 -6.806 -11.360 1.899 1.00 0.00 C ATOM 1231 O LEU B 37 -7.770 -11.003 2.579 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.476 -10.852 -0.504 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.441 -11.353 -1.508 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.006 -12.485 -2.346 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -4.976 -10.207 -2.393 1.00 0.00 C ATOM 0 H LEU B 37 -8.841 -11.545 -0.417 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.423 -12.822 0.388 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.327 -10.451 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.041 -10.025 0.057 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.583 -11.740 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.251 -12.826 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.292 -13.311 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -6.881 -12.132 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.238 -10.574 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.829 -9.795 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.528 -9.429 -1.775 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.557 -11.306 2.326 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.215 -10.674 3.583 1.00 0.00 C ATOM 1249 C GLN B 38 -4.975 -9.198 3.347 1.00 0.00 C ATOM 1250 O GLN B 38 -4.323 -8.839 2.364 1.00 0.00 O ATOM 1251 CB GLN B 38 -3.961 -11.289 4.193 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.109 -12.748 4.561 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.825 -13.330 5.115 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.038 -12.629 5.751 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.594 -14.607 4.865 1.00 0.00 N ATOM 0 H GLN B 38 -4.762 -11.694 1.818 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.043 -10.824 4.276 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.137 -11.185 3.487 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.689 -10.725 5.086 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.904 -12.856 5.299 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.413 -13.314 3.681 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.272 -15.153 4.334 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.738 -15.046 5.203 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.518 -8.357 4.214 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.307 -6.911 4.126 1.00 0.00 C ATOM 1266 C LEU B 39 -3.839 -6.584 3.870 1.00 0.00 C ATOM 1267 O LEU B 39 -3.505 -5.870 2.922 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.768 -6.225 5.415 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.847 -5.149 5.246 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.476 -4.177 4.140 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.199 -5.782 4.967 1.00 0.00 C ATOM 0 H LEU B 39 -6.111 -8.648 4.991 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.897 -6.540 3.288 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.145 -6.988 6.096 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -4.900 -5.771 5.894 1.00 0.00 H new ATOM 0 HG LEU B 39 -6.914 -4.592 6.180 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.258 -3.424 4.040 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.532 -3.690 4.385 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.372 -4.718 3.200 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -8.950 -5.000 4.851 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.143 -6.371 4.051 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.476 -6.430 5.799 1.00 0.00 H new ATOM 1283 N THR B 40 -2.967 -7.140 4.699 1.00 0.00 N ATOM 1284 CA THR B 40 -1.541 -6.902 4.585 1.00 0.00 C ATOM 1285 C THR B 40 -1.015 -7.338 3.225 1.00 0.00 C ATOM 1286 O THR B 40 -0.327 -6.574 2.548 1.00 0.00 O ATOM 1287 CB THR B 40 -0.773 -7.654 5.681 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.463 -7.543 6.934 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.640 -7.115 5.826 1.00 0.00 C ATOM 0 H THR B 40 -3.228 -7.764 5.463 1.00 0.00 H new ATOM 0 HA THR B 40 -1.384 -5.829 4.700 1.00 0.00 H new ATOM 0 HB THR B 40 -0.715 -8.703 5.391 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.966 -8.028 7.625 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.161 -7.666 6.609 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.173 -7.234 4.883 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.601 -6.058 6.090 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.359 -8.559 2.826 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.906 -9.110 1.556 1.00 0.00 C ATOM 1299 C GLN B 41 -1.292 -8.191 0.400 1.00 0.00 C ATOM 1300 O GLN B 41 -0.524 -7.997 -0.538 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.511 -10.500 1.356 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.882 -11.283 0.214 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.536 -12.635 0.010 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.142 -13.627 0.620 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.534 -12.686 -0.858 1.00 0.00 N ATOM 0 H GLN B 41 -1.953 -9.187 3.368 1.00 0.00 H new ATOM 0 HA GLN B 41 0.181 -9.191 1.574 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.402 -11.070 2.279 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.580 -10.398 1.169 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -0.959 -10.703 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.180 -11.423 0.415 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.831 -11.840 -1.344 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.006 -13.572 -1.041 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.477 -7.601 0.498 1.00 0.00 N ATOM 1315 CA ALA B 42 -2.975 -6.689 -0.525 1.00 0.00 C ATOM 1316 C ALA B 42 -2.195 -5.383 -0.526 1.00 0.00 C ATOM 1317 O ALA B 42 -1.842 -4.876 -1.586 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.441 -6.417 -0.302 1.00 0.00 C ATOM 0 H ALA B 42 -3.115 -7.739 1.282 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.840 -7.163 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.805 -5.735 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.997 -7.353 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.582 -5.966 0.680 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.936 -4.834 0.659 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.115 -3.631 0.771 1.00 0.00 C ATOM 1326 C ILE B 43 0.258 -3.870 0.157 1.00 0.00 C ATOM 1327 O ILE B 43 0.759 -3.051 -0.609 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.944 -3.178 2.244 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.008 -2.147 2.626 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.451 -2.619 2.483 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.413 -2.700 2.649 1.00 0.00 C ATOM 0 H ILE B 43 -2.279 -5.199 1.547 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.633 -2.839 0.230 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.074 -4.054 2.879 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.771 -1.742 3.610 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.966 -1.317 1.921 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.545 -2.308 3.524 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.193 -3.387 2.265 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.615 -1.760 1.832 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.110 -1.910 2.928 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.671 -3.079 1.660 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.473 -3.510 3.375 1.00 0.00 H new ATOM 1343 N GLU B 44 0.848 -4.999 0.503 1.00 0.00 N ATOM 1344 CA GLU B 44 2.174 -5.352 0.024 1.00 0.00 C ATOM 1345 C GLU B 44 2.185 -5.495 -1.489 1.00 0.00 C ATOM 1346 O GLU B 44 3.097 -5.013 -2.147 1.00 0.00 O ATOM 1347 CB GLU B 44 2.656 -6.643 0.681 1.00 0.00 C ATOM 1348 CG GLU B 44 2.783 -6.550 2.191 1.00 0.00 C ATOM 1349 CD GLU B 44 3.262 -7.842 2.814 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.426 -8.728 3.083 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.481 -7.975 3.034 1.00 0.00 O ATOM 0 H GLU B 44 0.426 -5.694 1.120 1.00 0.00 H new ATOM 0 HA GLU B 44 2.856 -4.546 0.296 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.963 -7.447 0.433 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.624 -6.915 0.260 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.477 -5.749 2.445 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.817 -6.281 2.618 1.00 0.00 H new ATOM 1358 N GLU B 45 1.170 -6.151 -2.037 1.00 0.00 N ATOM 1359 CA GLU B 45 1.022 -6.251 -3.484 1.00 0.00 C ATOM 1360 C GLU B 45 0.811 -4.869 -4.080 1.00 0.00 C ATOM 1361 O GLU B 45 1.358 -4.545 -5.135 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.157 -7.157 -3.855 1.00 0.00 C ATOM 1363 CG GLU B 45 0.038 -8.614 -3.470 1.00 0.00 C ATOM 1364 CD GLU B 45 1.238 -9.238 -4.146 1.00 0.00 C ATOM 1365 OE1 GLU B 45 1.124 -9.615 -5.329 1.00 0.00 O ATOM 1366 OE2 GLU B 45 2.297 -9.355 -3.501 1.00 0.00 O ATOM 0 H GLU B 45 0.439 -6.621 -1.503 1.00 0.00 H new ATOM 0 HA GLU B 45 1.934 -6.688 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.058 -6.781 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.325 -7.095 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.155 -8.688 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.857 -9.178 -3.733 1.00 0.00 H new ATOM 1373 N ALA B 46 0.037 -4.048 -3.377 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.250 -2.703 -3.827 1.00 0.00 C ATOM 1375 C ALA B 46 1.021 -1.882 -3.903 1.00 0.00 C ATOM 1376 O ALA B 46 1.360 -1.328 -4.946 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.243 -2.036 -2.886 1.00 0.00 C ATOM 0 H ALA B 46 -0.401 -4.298 -2.491 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.687 -2.760 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.451 -1.024 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.169 -2.611 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.821 -1.994 -1.882 1.00 0.00 H new ATOM 1383 N ILE B 47 1.734 -1.836 -2.790 1.00 0.00 N ATOM 1384 CA ILE B 47 2.922 -1.036 -2.673 1.00 0.00 C ATOM 1385 C ILE B 47 4.062 -1.622 -3.518 1.00 0.00 C ATOM 1386 O ILE B 47 4.948 -0.900 -3.975 1.00 0.00 O ATOM 1387 CB ILE B 47 3.325 -0.904 -1.186 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.350 0.211 -1.000 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.833 -2.225 -0.632 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.881 0.292 0.410 1.00 0.00 C ATOM 0 H ILE B 47 1.497 -2.357 -1.945 1.00 0.00 H new ATOM 0 HA ILE B 47 2.716 -0.038 -3.059 1.00 0.00 H new ATOM 0 HB ILE B 47 2.434 -0.636 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.181 0.052 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE B 47 3.894 1.165 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.108 -2.099 0.415 1.00 0.00 H new ATOM 0 HG22 ILE B 47 3.050 -2.979 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.706 -2.546 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.606 1.103 0.480 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.057 0.481 1.099 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.364 -0.649 0.671 1.00 0.00 H new ATOM 1402 N LYS B 48 4.009 -2.930 -3.753 1.00 0.00 N ATOM 1403 CA LYS B 48 4.996 -3.607 -4.585 1.00 0.00 C ATOM 1404 C LYS B 48 4.842 -3.191 -6.039 1.00 0.00 C ATOM 1405 O LYS B 48 5.782 -2.692 -6.658 1.00 0.00 O ATOM 1406 CB LYS B 48 4.823 -5.123 -4.470 1.00 0.00 C ATOM 1407 CG LYS B 48 5.712 -5.950 -5.393 1.00 0.00 C ATOM 1408 CD LYS B 48 7.026 -6.362 -4.739 1.00 0.00 C ATOM 1409 CE LYS B 48 7.997 -5.201 -4.591 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.321 -5.664 -4.097 1.00 0.00 N ATOM 0 H LYS B 48 3.288 -3.545 -3.376 1.00 0.00 H new ATOM 0 HA LYS B 48 5.990 -3.325 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.022 -5.418 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.782 -5.371 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.171 -6.844 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.925 -5.375 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.821 -6.786 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.493 -7.147 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.119 -4.702 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.585 -4.466 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.962 -4.850 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.206 -6.119 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.723 -6.347 -4.770 1.00 0.00 H new ATOM 1424 N GLU B 49 3.639 -3.374 -6.567 1.00 0.00 N ATOM 1425 CA GLU B 49 3.369 -3.068 -7.966 1.00 0.00 C ATOM 1426 C GLU B 49 3.369 -1.563 -8.195 1.00 0.00 C ATOM 1427 O GLU B 49 3.360 -1.098 -9.333 1.00 0.00 O ATOM 1428 CB GLU B 49 2.025 -3.677 -8.412 1.00 0.00 C ATOM 1429 CG GLU B 49 2.092 -5.154 -8.822 1.00 0.00 C ATOM 1430 CD GLU B 49 0.756 -5.849 -8.711 1.00 0.00 C ATOM 1431 OE1 GLU B 49 -0.255 -5.278 -9.173 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.714 -6.987 -8.194 1.00 0.00 O ATOM 0 H GLU B 49 2.836 -3.732 -6.049 1.00 0.00 H new ATOM 0 HA GLU B 49 4.163 -3.511 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.307 -3.573 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.641 -3.098 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU B 49 2.451 -5.226 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.819 -5.669 -8.194 1.00 0.00 H new ATOM 1439 N TYR B 50 3.400 -0.814 -7.109 1.00 0.00 N ATOM 1440 CA TYR B 50 3.437 0.623 -7.169 1.00 0.00 C ATOM 1441 C TYR B 50 4.850 1.103 -7.450 1.00 0.00 C ATOM 1442 O TYR B 50 5.063 1.951 -8.313 1.00 0.00 O ATOM 1443 CB TYR B 50 2.921 1.180 -5.853 1.00 0.00 C ATOM 1444 CG TYR B 50 3.106 2.658 -5.669 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.373 3.573 -6.406 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.996 3.130 -4.720 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.528 4.926 -6.207 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.158 4.483 -4.507 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.423 5.381 -5.257 1.00 0.00 C ATOM 1450 OH TYR B 50 3.578 6.736 -5.058 1.00 0.00 O ATOM 0 H TYR B 50 3.400 -1.192 -6.162 1.00 0.00 H new ATOM 0 HA TYR B 50 2.802 0.978 -7.981 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.859 0.950 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.423 0.662 -5.036 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.671 3.220 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.573 2.428 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.953 5.629 -6.791 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.853 4.837 -3.760 1.00 0.00 H new ATOM 0 HH TYR B 50 4.515 6.983 -5.206 1.00 0.00 H new ATOM 1460 N LEU B 51 5.813 0.543 -6.729 1.00 0.00 N ATOM 1461 CA LEU B 51 7.213 0.881 -6.939 1.00 0.00 C ATOM 1462 C LEU B 51 7.664 0.533 -8.343 1.00 0.00 C ATOM 1463 O LEU B 51 8.384 1.303 -8.972 1.00 0.00 O ATOM 1464 CB LEU B 51 8.114 0.181 -5.921 1.00 0.00 C ATOM 1465 CG LEU B 51 8.430 0.981 -4.654 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.076 2.450 -4.822 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.722 0.381 -3.454 1.00 0.00 C ATOM 0 H LEU B 51 5.650 -0.146 -5.995 1.00 0.00 H new ATOM 0 HA LEU B 51 7.301 1.959 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.641 -0.756 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU B 51 9.054 -0.076 -6.411 1.00 0.00 H new ATOM 0 HG LEU B 51 9.504 0.924 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.313 2.989 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.650 2.870 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.011 2.546 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.959 0.963 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.645 0.396 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.053 -0.648 -3.313 1.00 0.00 H new ATOM 1479 N GLN B 52 7.224 -0.605 -8.848 1.00 0.00 N ATOM 1480 CA GLN B 52 7.651 -1.042 -10.175 1.00 0.00 C ATOM 1481 C GLN B 52 6.937 -0.262 -11.266 1.00 0.00 C ATOM 1482 O GLN B 52 7.476 -0.057 -12.355 1.00 0.00 O ATOM 1483 CB GLN B 52 7.432 -2.542 -10.374 1.00 0.00 C ATOM 1484 CG GLN B 52 8.582 -3.399 -9.868 1.00 0.00 C ATOM 1485 CD GLN B 52 8.738 -3.353 -8.365 1.00 0.00 C ATOM 1486 OE1 GLN B 52 9.440 -2.503 -7.818 1.00 0.00 O ATOM 1487 NE2 GLN B 52 8.090 -4.279 -7.686 1.00 0.00 N ATOM 0 H GLN B 52 6.581 -1.238 -8.373 1.00 0.00 H new ATOM 0 HA GLN B 52 8.720 -0.843 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN B 52 6.517 -2.838 -9.861 1.00 0.00 H new ATOM 0 HB3 GLN B 52 7.282 -2.741 -11.435 1.00 0.00 H new ATOM 0 HG2 GLN B 52 8.423 -4.431 -10.179 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.509 -3.065 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN B 52 7.518 -4.966 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN B 52 8.160 -4.309 -6.669 1.00 0.00 H new