USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 33 ASN : amide:sc= -0.209 K(o=0.17,f=-5.3!) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.383 K(o=0.17,f=-0.57) USER MOD Set 2.1: A 26 SER OG : rot 170:sc= 0.178 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -0.302 USER MOD Set 3.1: A 11 TYR OH : rot 15:sc= -0.607 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.464) USER MOD Single : A 1 LEU N :NH3+ 152:sc= -0.455 (180deg=-1.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -44:sc= 0.71 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -170:sc= 0.117 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.735 K(o=-0.74,f=0.69) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 160:sc= -2.13! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.68! C(o=-5.7!,f=-12!) USER MOD Single : A 44 SER OG : rot -65:sc= 1.01 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -44:sc= 0.12 USER MOD Single : A 51 SER OG : rot 180:sc= -0.405 USER MOD Single : A 52 HIS : no HE2:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.114 14.625 2.104 1.00 0.00 N ATOM 2 CA LEU A 1 11.843 15.089 2.729 1.00 0.00 C ATOM 3 C LEU A 1 10.948 15.709 1.655 1.00 0.00 C ATOM 4 O LEU A 1 11.321 16.657 0.994 1.00 0.00 O ATOM 5 CB LEU A 1 12.155 16.134 3.798 1.00 0.00 C ATOM 6 CG LEU A 1 13.107 17.181 3.221 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.493 18.573 3.380 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.439 17.123 3.972 1.00 0.00 C ATOM 0 H1 LEU A 1 13.878 14.651 2.810 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.996 13.651 1.758 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.357 15.248 1.308 1.00 0.00 H new ATOM 0 HA LEU A 1 11.330 14.243 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.235 16.610 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.606 15.657 4.668 1.00 0.00 H new ATOM 0 HG LEU A 1 13.274 16.978 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.172 19.319 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.543 18.614 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.326 18.778 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.120 17.869 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.270 17.328 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.877 16.131 3.860 1.00 0.00 H new ATOM 22 N ALA A 2 9.769 15.182 1.476 1.00 0.00 N ATOM 23 CA ALA A 2 8.855 15.745 0.444 1.00 0.00 C ATOM 24 C ALA A 2 7.543 14.961 0.441 1.00 0.00 C ATOM 25 O ALA A 2 6.540 15.410 0.956 1.00 0.00 O ATOM 26 CB ALA A 2 9.516 15.641 -0.932 1.00 0.00 C ATOM 0 H ALA A 2 9.400 14.388 1.998 1.00 0.00 H new ATOM 0 HA ALA A 2 8.651 16.791 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.848 16.053 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.451 16.201 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.721 14.595 -1.159 1.00 0.00 H new ATOM 32 N ALA A 3 7.540 13.791 -0.138 1.00 0.00 N ATOM 33 CA ALA A 3 6.288 12.984 -0.173 1.00 0.00 C ATOM 34 C ALA A 3 6.558 11.592 0.395 1.00 0.00 C ATOM 35 O ALA A 3 7.689 11.188 0.571 1.00 0.00 O ATOM 36 CB ALA A 3 5.799 12.857 -1.615 1.00 0.00 C ATOM 0 H ALA A 3 8.348 13.360 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 3 5.525 13.480 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.883 12.266 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.601 13.849 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.563 12.365 -2.216 1.00 0.00 H new ATOM 42 N VAL A 4 5.521 10.856 0.684 1.00 0.00 N ATOM 43 CA VAL A 4 5.705 9.489 1.245 1.00 0.00 C ATOM 44 C VAL A 4 4.794 8.508 0.502 1.00 0.00 C ATOM 45 O VAL A 4 3.633 8.359 0.826 1.00 0.00 O ATOM 46 CB VAL A 4 5.343 9.502 2.730 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.554 9.954 3.547 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.183 10.474 2.963 1.00 0.00 C ATOM 0 H VAL A 4 4.551 11.144 0.555 1.00 0.00 H new ATOM 0 HA VAL A 4 6.743 9.178 1.126 1.00 0.00 H new ATOM 0 HB VAL A 4 5.048 8.499 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.296 9.963 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.382 9.265 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.849 10.957 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.924 10.484 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.480 11.476 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.318 10.155 2.381 1.00 0.00 H new ATOM 58 N SER A 5 5.309 7.838 -0.495 1.00 0.00 N ATOM 59 CA SER A 5 4.468 6.869 -1.256 1.00 0.00 C ATOM 60 C SER A 5 5.103 5.477 -1.205 1.00 0.00 C ATOM 61 O SER A 5 6.245 5.318 -0.819 1.00 0.00 O ATOM 62 CB SER A 5 4.362 7.324 -2.713 1.00 0.00 C ATOM 63 OG SER A 5 3.788 8.623 -2.757 1.00 0.00 O ATOM 0 H SER A 5 6.274 7.920 -0.815 1.00 0.00 H new ATOM 0 HA SER A 5 3.475 6.828 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.349 7.334 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.750 6.624 -3.281 1.00 0.00 H new ATOM 0 HG SER A 5 3.720 8.919 -3.689 1.00 0.00 H new ATOM 69 N VAL A 6 4.372 4.468 -1.596 1.00 0.00 N ATOM 70 CA VAL A 6 4.927 3.083 -1.575 1.00 0.00 C ATOM 71 C VAL A 6 5.108 2.585 -3.002 1.00 0.00 C ATOM 72 O VAL A 6 5.269 1.408 -3.255 1.00 0.00 O ATOM 73 CB VAL A 6 3.957 2.165 -0.847 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.484 0.729 -0.877 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.808 2.627 0.603 1.00 0.00 C ATOM 0 H VAL A 6 3.411 4.543 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 6 5.890 3.086 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 6 2.986 2.201 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.786 0.074 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.585 0.400 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.457 0.688 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.113 1.969 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.779 2.594 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.426 3.648 0.622 1.00 0.00 H new ATOM 85 N ASP A 7 5.083 3.482 -3.929 1.00 0.00 N ATOM 86 CA ASP A 7 5.251 3.097 -5.358 1.00 0.00 C ATOM 87 C ASP A 7 4.099 2.182 -5.787 1.00 0.00 C ATOM 88 O ASP A 7 3.636 1.355 -5.026 1.00 0.00 O ATOM 89 CB ASP A 7 6.580 2.359 -5.532 1.00 0.00 C ATOM 90 CG ASP A 7 6.725 1.905 -6.985 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.452 2.705 -7.865 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.108 0.765 -7.193 1.00 0.00 O ATOM 0 H ASP A 7 4.952 4.480 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 7 5.247 3.995 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.409 3.012 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.620 1.498 -4.865 1.00 0.00 H new ATOM 97 N CYS A 8 3.636 2.322 -7.001 1.00 0.00 N ATOM 98 CA CYS A 8 2.518 1.458 -7.477 1.00 0.00 C ATOM 99 C CYS A 8 2.589 1.314 -8.999 1.00 0.00 C ATOM 100 O CYS A 8 1.621 0.959 -9.643 1.00 0.00 O ATOM 101 CB CYS A 8 1.183 2.087 -7.097 1.00 0.00 C ATOM 102 SG CYS A 8 0.711 1.518 -5.458 1.00 0.00 S ATOM 0 H CYS A 8 3.984 2.997 -7.682 1.00 0.00 H new ATOM 0 HA CYS A 8 2.605 0.476 -7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.262 3.174 -7.109 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.418 1.815 -7.824 1.00 0.00 H new ATOM 107 N SER A 9 3.725 1.589 -9.582 1.00 0.00 N ATOM 108 CA SER A 9 3.849 1.471 -11.063 1.00 0.00 C ATOM 109 C SER A 9 4.173 0.025 -11.441 1.00 0.00 C ATOM 110 O SER A 9 4.579 -0.261 -12.551 1.00 0.00 O ATOM 111 CB SER A 9 4.970 2.391 -11.552 1.00 0.00 C ATOM 112 OG SER A 9 4.982 2.403 -12.973 1.00 0.00 O ATOM 0 H SER A 9 4.571 1.890 -9.098 1.00 0.00 H new ATOM 0 HA SER A 9 2.908 1.761 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.820 3.401 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.931 2.046 -11.172 1.00 0.00 H new ATOM 0 HG SER A 9 4.881 1.488 -13.309 1.00 0.00 H new ATOM 118 N GLU A 10 3.996 -0.887 -10.529 1.00 0.00 N ATOM 119 CA GLU A 10 4.291 -2.316 -10.833 1.00 0.00 C ATOM 120 C GLU A 10 3.238 -3.199 -10.164 1.00 0.00 C ATOM 121 O GLU A 10 3.481 -4.347 -9.850 1.00 0.00 O ATOM 122 CB GLU A 10 5.677 -2.670 -10.295 1.00 0.00 C ATOM 123 CG GLU A 10 6.668 -1.566 -10.672 1.00 0.00 C ATOM 124 CD GLU A 10 6.841 -0.610 -9.490 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.868 0.027 -9.120 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.945 -0.526 -8.977 1.00 0.00 O ATOM 0 H GLU A 10 3.659 -0.706 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 10 4.269 -2.478 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.640 -2.786 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.006 -3.624 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.629 -2.003 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.307 -1.021 -11.544 1.00 0.00 H new ATOM 133 N TYR A 11 2.071 -2.666 -9.939 1.00 0.00 N ATOM 134 CA TYR A 11 0.998 -3.449 -9.288 1.00 0.00 C ATOM 135 C TYR A 11 -0.171 -3.600 -10.274 1.00 0.00 C ATOM 136 O TYR A 11 -0.219 -2.924 -11.282 1.00 0.00 O ATOM 137 CB TYR A 11 0.572 -2.704 -8.018 1.00 0.00 C ATOM 138 CG TYR A 11 1.531 -3.068 -6.906 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.354 -4.250 -6.174 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.612 -2.227 -6.621 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.261 -4.586 -5.157 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.514 -2.560 -5.604 1.00 0.00 C ATOM 143 CZ TYR A 11 3.339 -3.740 -4.872 1.00 0.00 C ATOM 144 OH TYR A 11 4.231 -4.070 -3.873 1.00 0.00 O ATOM 0 H TYR A 11 1.817 -1.709 -10.183 1.00 0.00 H new ATOM 0 HA TYR A 11 1.339 -4.447 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.581 -1.628 -8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.447 -2.975 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.521 -4.901 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.751 -1.318 -7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.127 -5.498 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.345 -1.906 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 11 4.116 -5.012 -3.630 1.00 0.00 H new ATOM 154 N PRO A 12 -1.057 -4.507 -9.964 1.00 0.00 N ATOM 155 CA PRO A 12 -0.992 -5.321 -8.744 1.00 0.00 C ATOM 156 C PRO A 12 -0.190 -6.607 -8.974 1.00 0.00 C ATOM 157 O PRO A 12 0.257 -6.892 -10.068 1.00 0.00 O ATOM 158 CB PRO A 12 -2.468 -5.642 -8.468 1.00 0.00 C ATOM 159 CG PRO A 12 -3.217 -5.473 -9.823 1.00 0.00 C ATOM 160 CD PRO A 12 -2.217 -4.830 -10.805 1.00 0.00 C ATOM 0 HA PRO A 12 -0.495 -4.812 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.580 -6.657 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.876 -4.971 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.562 -6.437 -10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.099 -4.844 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.949 -5.515 -11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.633 -3.937 -11.272 1.00 0.00 H new ATOM 168 N LYS A 13 -0.010 -7.382 -7.938 1.00 0.00 N ATOM 169 CA LYS A 13 0.757 -8.651 -8.064 1.00 0.00 C ATOM 170 C LYS A 13 0.037 -9.750 -7.267 1.00 0.00 C ATOM 171 O LYS A 13 -0.308 -9.545 -6.121 1.00 0.00 O ATOM 172 CB LYS A 13 2.159 -8.442 -7.489 1.00 0.00 C ATOM 173 CG LYS A 13 2.701 -7.084 -7.944 1.00 0.00 C ATOM 174 CD LYS A 13 4.145 -6.923 -7.465 1.00 0.00 C ATOM 175 CE LYS A 13 4.182 -6.953 -5.935 1.00 0.00 C ATOM 176 NZ LYS A 13 4.940 -8.153 -5.479 1.00 0.00 N ATOM 0 H LYS A 13 -0.366 -7.187 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 13 0.829 -8.944 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.127 -8.487 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.823 -9.240 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.657 -7.009 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.082 -6.281 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.765 -7.723 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.558 -5.983 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.652 -6.046 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.168 -6.977 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.965 -8.173 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.473 -9.013 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.911 -8.111 -5.848 1.00 0.00 H new ATOM 190 N PRO A 14 -0.179 -10.881 -7.898 1.00 0.00 N ATOM 191 CA PRO A 14 -0.872 -12.023 -7.265 1.00 0.00 C ATOM 192 C PRO A 14 0.073 -12.807 -6.351 1.00 0.00 C ATOM 193 O PRO A 14 -0.205 -13.926 -5.965 1.00 0.00 O ATOM 194 CB PRO A 14 -1.308 -12.876 -8.458 1.00 0.00 C ATOM 195 CG PRO A 14 -0.372 -12.500 -9.629 1.00 0.00 C ATOM 196 CD PRO A 14 0.231 -11.125 -9.297 1.00 0.00 C ATOM 0 HA PRO A 14 -1.703 -11.715 -6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.231 -13.938 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.349 -12.681 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.413 -13.246 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.924 -12.463 -10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.316 -11.130 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.148 -10.351 -9.965 1.00 0.00 H new ATOM 204 N ALA A 15 1.183 -12.228 -6.002 1.00 0.00 N ATOM 205 CA ALA A 15 2.150 -12.932 -5.108 1.00 0.00 C ATOM 206 C ALA A 15 2.735 -11.935 -4.107 1.00 0.00 C ATOM 207 O ALA A 15 3.775 -11.348 -4.332 1.00 0.00 O ATOM 208 CB ALA A 15 3.278 -13.535 -5.946 1.00 0.00 C ATOM 0 H ALA A 15 1.468 -11.294 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 15 1.634 -13.728 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.983 -14.048 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.861 -14.246 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.795 -12.741 -6.485 1.00 0.00 H new ATOM 214 N CYS A 16 2.071 -11.733 -3.002 1.00 0.00 N ATOM 215 CA CYS A 16 2.584 -10.769 -1.989 1.00 0.00 C ATOM 216 C CYS A 16 3.358 -11.516 -0.907 1.00 0.00 C ATOM 217 O CYS A 16 2.890 -12.493 -0.358 1.00 0.00 O ATOM 218 CB CYS A 16 1.404 -10.028 -1.352 1.00 0.00 C ATOM 219 SG CYS A 16 0.198 -9.608 -2.635 1.00 0.00 S ATOM 0 H CYS A 16 1.195 -12.194 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 16 3.248 -10.055 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.938 -10.651 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.754 -9.123 -0.855 1.00 0.00 H new ATOM 224 N THR A 17 4.539 -11.055 -0.590 1.00 0.00 N ATOM 225 CA THR A 17 5.344 -11.730 0.464 1.00 0.00 C ATOM 226 C THR A 17 4.515 -11.807 1.745 1.00 0.00 C ATOM 227 O THR A 17 3.317 -11.606 1.732 1.00 0.00 O ATOM 228 CB THR A 17 6.622 -10.930 0.726 1.00 0.00 C ATOM 229 OG1 THR A 17 6.455 -9.603 0.249 1.00 0.00 O ATOM 230 CG2 THR A 17 7.793 -11.590 0.000 1.00 0.00 C ATOM 0 H THR A 17 4.979 -10.240 -1.017 1.00 0.00 H new ATOM 0 HA THR A 17 5.613 -12.734 0.137 1.00 0.00 H new ATOM 0 HB THR A 17 6.825 -10.908 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.317 -9.137 0.271 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.704 -11.021 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.921 -12.609 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.591 -11.612 -1.071 1.00 0.00 H new ATOM 238 N LEU A 18 5.129 -12.099 2.854 1.00 0.00 N ATOM 239 CA LEU A 18 4.341 -12.189 4.110 1.00 0.00 C ATOM 240 C LEU A 18 4.913 -11.252 5.175 1.00 0.00 C ATOM 241 O LEU A 18 4.418 -11.194 6.284 1.00 0.00 O ATOM 242 CB LEU A 18 4.363 -13.629 4.624 1.00 0.00 C ATOM 243 CG LEU A 18 5.807 -14.063 4.876 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.233 -13.620 6.276 1.00 0.00 C ATOM 245 CD2 LEU A 18 5.903 -15.588 4.772 1.00 0.00 C ATOM 0 H LEU A 18 6.129 -12.277 2.946 1.00 0.00 H new ATOM 0 HA LEU A 18 3.314 -11.889 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.784 -13.706 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.895 -14.292 3.897 1.00 0.00 H new ATOM 0 HG LEU A 18 6.462 -13.605 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.262 -13.929 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.161 -12.535 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.580 -14.080 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.932 -15.901 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.250 -16.045 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.596 -15.905 3.775 1.00 0.00 H new ATOM 257 N GLU A 19 5.939 -10.507 4.861 1.00 0.00 N ATOM 258 CA GLU A 19 6.497 -9.576 5.890 1.00 0.00 C ATOM 259 C GLU A 19 5.346 -8.708 6.400 1.00 0.00 C ATOM 260 O GLU A 19 4.212 -8.888 6.004 1.00 0.00 O ATOM 261 CB GLU A 19 7.598 -8.662 5.314 1.00 0.00 C ATOM 262 CG GLU A 19 8.139 -9.191 3.979 1.00 0.00 C ATOM 263 CD GLU A 19 8.748 -10.585 4.173 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.194 -11.354 4.940 1.00 0.00 O ATOM 265 OE2 GLU A 19 9.762 -10.855 3.550 1.00 0.00 O ATOM 0 H GLU A 19 6.409 -10.500 3.956 1.00 0.00 H new ATOM 0 HA GLU A 19 6.949 -10.165 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.199 -7.658 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.415 -8.582 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.335 -9.236 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.892 -8.508 3.587 1.00 0.00 H new ATOM 272 N TYR A 20 5.607 -7.768 7.266 1.00 0.00 N ATOM 273 CA TYR A 20 4.485 -6.923 7.762 1.00 0.00 C ATOM 274 C TYR A 20 4.862 -5.441 7.731 1.00 0.00 C ATOM 275 O TYR A 20 5.588 -4.948 8.572 1.00 0.00 O ATOM 276 CB TYR A 20 4.113 -7.322 9.191 1.00 0.00 C ATOM 277 CG TYR A 20 2.777 -6.705 9.534 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.705 -6.819 8.640 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.611 -6.012 10.740 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.468 -6.242 8.951 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.373 -5.434 11.050 1.00 0.00 C ATOM 282 CZ TYR A 20 0.301 -5.549 10.155 1.00 0.00 C ATOM 283 OH TYR A 20 -0.918 -4.980 10.462 1.00 0.00 O ATOM 0 H TYR A 20 6.529 -7.551 7.645 1.00 0.00 H new ATOM 0 HA TYR A 20 3.630 -7.082 7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.062 -8.407 9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.877 -6.981 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.833 -7.353 7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.437 -5.923 11.430 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.358 -6.332 8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.245 -4.899 11.980 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.862 -4.538 11.335 1.00 0.00 H new ATOM 293 N ARG A 21 4.331 -4.727 6.781 1.00 0.00 N ATOM 294 CA ARG A 21 4.594 -3.263 6.680 1.00 0.00 C ATOM 295 C ARG A 21 3.253 -2.591 6.381 1.00 0.00 C ATOM 296 O ARG A 21 2.947 -2.309 5.243 1.00 0.00 O ATOM 297 CB ARG A 21 5.588 -2.954 5.549 1.00 0.00 C ATOM 298 CG ARG A 21 5.774 -4.172 4.633 1.00 0.00 C ATOM 299 CD ARG A 21 7.059 -4.907 5.024 1.00 0.00 C ATOM 300 NE ARG A 21 7.725 -5.435 3.800 1.00 0.00 N ATOM 301 CZ ARG A 21 7.138 -6.346 3.075 1.00 0.00 C ATOM 302 NH1 ARG A 21 6.027 -6.898 3.486 1.00 0.00 N ATOM 303 NH2 ARG A 21 7.664 -6.707 1.937 1.00 0.00 N ATOM 0 H ARG A 21 3.716 -5.100 6.058 1.00 0.00 H new ATOM 0 HA ARG A 21 5.031 -2.896 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.228 -2.107 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.549 -2.664 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.918 -4.841 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.826 -3.854 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.731 -4.230 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.829 -5.725 5.707 1.00 0.00 H new ATOM 0 HE ARG A 21 8.643 -5.083 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.617 -6.616 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.570 -7.610 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.532 -6.277 1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.207 -7.419 1.367 1.00 0.00 H new ATOM 317 N PRO A 22 2.477 -2.391 7.414 1.00 0.00 N ATOM 318 CA PRO A 22 1.126 -1.814 7.293 1.00 0.00 C ATOM 319 C PRO A 22 1.148 -0.379 6.788 1.00 0.00 C ATOM 320 O PRO A 22 1.676 0.505 7.424 1.00 0.00 O ATOM 321 CB PRO A 22 0.559 -1.908 8.716 1.00 0.00 C ATOM 322 CG PRO A 22 1.777 -2.041 9.655 1.00 0.00 C ATOM 323 CD PRO A 22 2.892 -2.675 8.806 1.00 0.00 C ATOM 0 HA PRO A 22 0.518 -2.345 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.027 -1.022 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.105 -2.767 8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.083 -1.068 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.540 -2.664 10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.865 -2.238 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.974 -3.746 8.989 1.00 0.00 H new ATOM 331 N LEU A 23 0.559 -0.141 5.642 1.00 0.00 N ATOM 332 CA LEU A 23 0.525 1.238 5.098 1.00 0.00 C ATOM 333 C LEU A 23 -0.902 1.768 5.211 1.00 0.00 C ATOM 334 O LEU A 23 -1.838 1.168 4.720 1.00 0.00 O ATOM 335 CB LEU A 23 0.952 1.216 3.634 1.00 0.00 C ATOM 336 CG LEU A 23 2.188 0.330 3.486 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.061 -0.504 2.219 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.437 1.205 3.397 1.00 0.00 C ATOM 0 H LEU A 23 0.102 -0.847 5.065 1.00 0.00 H new ATOM 0 HA LEU A 23 1.205 1.881 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.141 0.837 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.171 2.227 3.291 1.00 0.00 H new ATOM 0 HG LEU A 23 2.269 -0.329 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.941 -1.137 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.170 -1.129 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.980 0.156 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.318 0.572 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.358 1.864 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.527 1.804 4.303 1.00 0.00 H new ATOM 350 N CYS A 24 -1.082 2.881 5.860 1.00 0.00 N ATOM 351 CA CYS A 24 -2.455 3.434 6.007 1.00 0.00 C ATOM 352 C CYS A 24 -2.828 4.199 4.737 1.00 0.00 C ATOM 353 O CYS A 24 -2.004 4.811 4.103 1.00 0.00 O ATOM 354 CB CYS A 24 -2.495 4.375 7.227 1.00 0.00 C ATOM 355 SG CYS A 24 -3.773 5.652 7.037 1.00 0.00 S ATOM 0 H CYS A 24 -0.341 3.431 6.294 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.170 2.625 6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.689 3.795 8.129 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.522 4.848 7.355 1.00 0.00 H new ATOM 360 N GLY A 25 -4.076 4.184 4.391 1.00 0.00 N ATOM 361 CA GLY A 25 -4.542 4.928 3.191 1.00 0.00 C ATOM 362 C GLY A 25 -4.842 6.364 3.595 1.00 0.00 C ATOM 363 O GLY A 25 -4.813 6.708 4.757 1.00 0.00 O ATOM 0 H GLY A 25 -4.807 3.681 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.779 4.906 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.434 4.457 2.777 1.00 0.00 H new ATOM 367 N SER A 26 -5.143 7.205 2.658 1.00 0.00 N ATOM 368 CA SER A 26 -5.453 8.616 3.020 1.00 0.00 C ATOM 369 C SER A 26 -6.920 8.700 3.459 1.00 0.00 C ATOM 370 O SER A 26 -7.463 9.770 3.650 1.00 0.00 O ATOM 371 CB SER A 26 -5.219 9.520 1.807 1.00 0.00 C ATOM 372 OG SER A 26 -5.590 8.824 0.626 1.00 0.00 O ATOM 0 H SER A 26 -5.189 6.985 1.663 1.00 0.00 H new ATOM 0 HA SER A 26 -4.806 8.944 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.803 10.435 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.171 9.815 1.755 1.00 0.00 H new ATOM 0 HG SER A 26 -5.596 9.445 -0.132 1.00 0.00 H new ATOM 378 N ASP A 27 -7.563 7.571 3.621 1.00 0.00 N ATOM 379 CA ASP A 27 -8.988 7.568 4.050 1.00 0.00 C ATOM 380 C ASP A 27 -9.097 6.983 5.463 1.00 0.00 C ATOM 381 O ASP A 27 -10.179 6.851 6.000 1.00 0.00 O ATOM 382 CB ASP A 27 -9.805 6.706 3.088 1.00 0.00 C ATOM 383 CG ASP A 27 -9.403 5.240 3.260 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.478 4.817 2.585 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.021 4.566 4.068 1.00 0.00 O ATOM 0 H ASP A 27 -7.156 6.647 3.473 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.369 8.589 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.870 6.829 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.633 7.024 2.060 1.00 0.00 H new ATOM 390 N ASN A 28 -7.980 6.635 6.058 1.00 0.00 N ATOM 391 CA ASN A 28 -7.988 6.060 7.442 1.00 0.00 C ATOM 392 C ASN A 28 -8.145 4.535 7.390 1.00 0.00 C ATOM 393 O ASN A 28 -8.826 3.946 8.206 1.00 0.00 O ATOM 394 CB ASN A 28 -9.134 6.665 8.260 1.00 0.00 C ATOM 395 CG ASN A 28 -8.851 6.483 9.752 1.00 0.00 C ATOM 396 OD1 ASN A 28 -8.938 5.388 10.270 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.512 7.520 10.469 1.00 0.00 N ATOM 0 H ASN A 28 -7.054 6.726 5.640 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.038 6.303 7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.241 7.724 8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.076 6.184 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.320 7.411 11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.439 8.439 10.033 1.00 0.00 H new ATOM 404 N LYS A 29 -7.505 3.886 6.452 1.00 0.00 N ATOM 405 CA LYS A 29 -7.605 2.398 6.373 1.00 0.00 C ATOM 406 C LYS A 29 -6.206 1.796 6.551 1.00 0.00 C ATOM 407 O LYS A 29 -5.220 2.503 6.576 1.00 0.00 O ATOM 408 CB LYS A 29 -8.178 1.986 5.014 1.00 0.00 C ATOM 409 CG LYS A 29 -9.343 1.017 5.229 1.00 0.00 C ATOM 410 CD LYS A 29 -9.237 -0.145 4.238 1.00 0.00 C ATOM 411 CE LYS A 29 -10.179 -1.270 4.671 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.277 -1.409 3.672 1.00 0.00 N ATOM 0 H LYS A 29 -6.919 4.321 5.739 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.266 2.032 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.518 2.866 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.404 1.514 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.330 0.638 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.291 1.537 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.495 0.194 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.211 -0.510 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.629 -2.207 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.594 -1.053 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.918 -2.174 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.807 -0.516 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.873 -1.634 2.741 1.00 0.00 H new ATOM 426 N THR A 30 -6.105 0.502 6.686 1.00 0.00 N ATOM 427 CA THR A 30 -4.761 -0.117 6.874 1.00 0.00 C ATOM 428 C THR A 30 -4.602 -1.319 5.938 1.00 0.00 C ATOM 429 O THR A 30 -5.505 -2.115 5.768 1.00 0.00 O ATOM 430 CB THR A 30 -4.616 -0.581 8.330 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.371 0.546 9.159 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.451 -1.572 8.457 1.00 0.00 C ATOM 0 H THR A 30 -6.889 -0.150 6.675 1.00 0.00 H new ATOM 0 HA THR A 30 -3.991 0.619 6.642 1.00 0.00 H new ATOM 0 HB THR A 30 -5.536 -1.076 8.640 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.593 0.324 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.358 -1.894 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.640 -2.439 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.526 -1.088 8.143 1.00 0.00 H new ATOM 440 N TYR A 31 -3.450 -1.465 5.347 1.00 0.00 N ATOM 441 CA TYR A 31 -3.209 -2.621 4.442 1.00 0.00 C ATOM 442 C TYR A 31 -2.055 -3.435 5.019 1.00 0.00 C ATOM 443 O TYR A 31 -1.062 -2.888 5.449 1.00 0.00 O ATOM 444 CB TYR A 31 -2.882 -2.107 3.041 1.00 0.00 C ATOM 445 CG TYR A 31 -4.166 -1.625 2.401 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.764 -0.437 2.842 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.764 -2.369 1.378 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.957 0.006 2.257 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.956 -1.924 0.792 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.551 -0.736 1.232 1.00 0.00 C ATOM 451 OH TYR A 31 -7.727 -0.300 0.655 1.00 0.00 O ATOM 0 H TYR A 31 -2.660 -0.829 5.453 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.093 -3.255 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.156 -1.296 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.432 -2.898 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.305 0.137 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.306 -3.287 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.418 0.921 2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.416 -2.498 0.001 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.003 -0.931 -0.042 1.00 0.00 H new ATOM 461 N GLY A 32 -2.198 -4.731 5.075 1.00 0.00 N ATOM 462 CA GLY A 32 -1.129 -5.572 5.679 1.00 0.00 C ATOM 463 C GLY A 32 0.250 -5.078 5.253 1.00 0.00 C ATOM 464 O GLY A 32 1.082 -4.760 6.077 1.00 0.00 O ATOM 0 H GLY A 32 -3.009 -5.243 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.210 -5.547 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.260 -6.610 5.373 1.00 0.00 H new ATOM 468 N ASN A 33 0.510 -5.007 3.979 1.00 0.00 N ATOM 469 CA ASN A 33 1.850 -4.528 3.543 1.00 0.00 C ATOM 470 C ASN A 33 1.739 -3.749 2.239 1.00 0.00 C ATOM 471 O ASN A 33 0.694 -3.256 1.888 1.00 0.00 O ATOM 472 CB ASN A 33 2.806 -5.713 3.373 1.00 0.00 C ATOM 473 CG ASN A 33 2.214 -6.748 2.419 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.154 -6.547 1.860 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.869 -7.859 2.208 1.00 0.00 N ATOM 0 H ASN A 33 -0.136 -5.256 3.230 1.00 0.00 H new ATOM 0 HA ASN A 33 2.247 -3.864 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.764 -5.362 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.000 -6.173 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.491 -8.561 1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.758 -8.024 2.679 1.00 0.00 H new ATOM 482 N LYS A 34 2.827 -3.608 1.543 1.00 0.00 N ATOM 483 CA LYS A 34 2.840 -2.845 0.279 1.00 0.00 C ATOM 484 C LYS A 34 2.006 -3.537 -0.802 1.00 0.00 C ATOM 485 O LYS A 34 1.368 -2.890 -1.603 1.00 0.00 O ATOM 486 CB LYS A 34 4.288 -2.773 -0.176 1.00 0.00 C ATOM 487 CG LYS A 34 4.779 -4.184 -0.510 1.00 0.00 C ATOM 488 CD LYS A 34 6.309 -4.209 -0.507 1.00 0.00 C ATOM 489 CE LYS A 34 6.827 -4.030 -1.935 1.00 0.00 C ATOM 490 NZ LYS A 34 6.880 -2.578 -2.265 1.00 0.00 N ATOM 0 H LYS A 34 3.730 -4.002 1.808 1.00 0.00 H new ATOM 0 HA LYS A 34 2.411 -1.856 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.376 -2.128 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.907 -2.335 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.392 -4.897 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.402 -4.490 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.695 -3.415 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.667 -5.153 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.818 -4.472 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.176 -4.550 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.280 -2.388 -3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.537 -2.025 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.861 -2.306 -2.479 1.00 0.00 H new ATOM 504 N CYS A 35 2.020 -4.835 -0.859 1.00 0.00 N ATOM 505 CA CYS A 35 1.235 -5.528 -1.914 1.00 0.00 C ATOM 506 C CYS A 35 -0.259 -5.301 -1.694 1.00 0.00 C ATOM 507 O CYS A 35 -1.033 -5.255 -2.629 1.00 0.00 O ATOM 508 CB CYS A 35 1.531 -7.020 -1.862 1.00 0.00 C ATOM 509 SG CYS A 35 0.833 -7.823 -3.325 1.00 0.00 S ATOM 0 H CYS A 35 2.537 -5.444 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 35 1.516 -5.127 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.607 -7.187 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.106 -7.455 -0.957 1.00 0.00 H new ATOM 514 N ASN A 36 -0.673 -5.165 -0.467 1.00 0.00 N ATOM 515 CA ASN A 36 -2.119 -4.947 -0.192 1.00 0.00 C ATOM 516 C ASN A 36 -2.446 -3.454 -0.309 1.00 0.00 C ATOM 517 O ASN A 36 -3.459 -3.072 -0.861 1.00 0.00 O ATOM 518 CB ASN A 36 -2.444 -5.438 1.222 1.00 0.00 C ATOM 519 CG ASN A 36 -2.647 -6.955 1.196 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.764 -7.430 1.127 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.604 -7.741 1.253 1.00 0.00 N ATOM 0 H ASN A 36 -0.073 -5.195 0.357 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.716 -5.501 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.634 -5.179 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.343 -4.945 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.727 -8.753 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.667 -7.342 1.311 1.00 0.00 H new ATOM 528 N PHE A 37 -1.597 -2.611 0.209 1.00 0.00 N ATOM 529 CA PHE A 37 -1.854 -1.145 0.140 1.00 0.00 C ATOM 530 C PHE A 37 -1.879 -0.694 -1.291 1.00 0.00 C ATOM 531 O PHE A 37 -2.672 0.133 -1.701 1.00 0.00 O ATOM 532 CB PHE A 37 -0.741 -0.375 0.844 1.00 0.00 C ATOM 533 CG PHE A 37 -1.164 1.057 0.927 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.317 1.429 1.607 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.413 2.001 0.243 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.723 2.766 1.607 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.802 3.339 0.241 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.964 3.727 0.921 1.00 0.00 C ATOM 0 H PHE A 37 -0.732 -2.876 0.680 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.812 -0.952 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.566 -0.781 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.195 -0.466 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.898 0.687 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.476 1.698 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.619 3.059 2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.210 4.075 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.274 4.761 0.917 1.00 0.00 H new ATOM 548 N CYS A 38 -0.997 -1.221 -2.047 1.00 0.00 N ATOM 549 CA CYS A 38 -0.938 -0.808 -3.465 1.00 0.00 C ATOM 550 C CYS A 38 -2.037 -1.523 -4.231 1.00 0.00 C ATOM 551 O CYS A 38 -2.713 -0.927 -5.031 1.00 0.00 O ATOM 552 CB CYS A 38 0.420 -1.120 -4.086 1.00 0.00 C ATOM 553 SG CYS A 38 0.430 -0.452 -5.754 1.00 0.00 S ATOM 0 H CYS A 38 -0.311 -1.918 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.081 0.271 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.221 -0.679 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.593 -2.196 -4.105 1.00 0.00 H new ATOM 558 N ASN A 39 -2.244 -2.789 -3.980 1.00 0.00 N ATOM 559 CA ASN A 39 -3.335 -3.503 -4.699 1.00 0.00 C ATOM 560 C ASN A 39 -4.586 -2.632 -4.630 1.00 0.00 C ATOM 561 O ASN A 39 -5.444 -2.679 -5.488 1.00 0.00 O ATOM 562 CB ASN A 39 -3.606 -4.848 -4.024 1.00 0.00 C ATOM 563 CG ASN A 39 -2.705 -5.920 -4.639 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.330 -5.828 -5.791 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.340 -6.941 -3.912 1.00 0.00 N ATOM 0 H ASN A 39 -1.712 -3.352 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.052 -3.686 -5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.420 -4.773 -2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.653 -5.124 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.739 -7.662 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.655 -7.017 -2.945 1.00 0.00 H new ATOM 572 N ALA A 40 -4.676 -1.812 -3.619 1.00 0.00 N ATOM 573 CA ALA A 40 -5.845 -0.908 -3.494 1.00 0.00 C ATOM 574 C ALA A 40 -5.623 0.295 -4.412 1.00 0.00 C ATOM 575 O ALA A 40 -6.497 0.698 -5.153 1.00 0.00 O ATOM 576 CB ALA A 40 -5.965 -0.427 -2.045 1.00 0.00 C ATOM 0 H ALA A 40 -3.985 -1.732 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.759 -1.433 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.824 0.238 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.097 -1.285 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.059 0.110 -1.764 1.00 0.00 H new ATOM 582 N VAL A 41 -4.447 0.862 -4.368 1.00 0.00 N ATOM 583 CA VAL A 41 -4.142 2.037 -5.239 1.00 0.00 C ATOM 584 C VAL A 41 -4.336 1.650 -6.706 1.00 0.00 C ATOM 585 O VAL A 41 -4.562 2.482 -7.559 1.00 0.00 O ATOM 586 CB VAL A 41 -2.682 2.447 -5.031 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.374 3.700 -5.856 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.431 2.733 -3.548 1.00 0.00 C ATOM 0 H VAL A 41 -3.681 0.562 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.807 2.861 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.033 1.634 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.334 3.988 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.543 3.491 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.026 4.514 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.391 3.024 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.083 3.542 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.640 1.837 -2.964 1.00 0.00 H new ATOM 598 N VAL A 42 -4.236 0.388 -7.004 1.00 0.00 N ATOM 599 CA VAL A 42 -4.394 -0.076 -8.409 1.00 0.00 C ATOM 600 C VAL A 42 -5.862 -0.410 -8.675 1.00 0.00 C ATOM 601 O VAL A 42 -6.383 -0.168 -9.747 1.00 0.00 O ATOM 602 CB VAL A 42 -3.544 -1.334 -8.615 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.062 -0.994 -8.487 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.895 -2.362 -7.547 1.00 0.00 C ATOM 0 H VAL A 42 -4.049 -0.351 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.072 0.708 -9.094 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.745 -1.733 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.468 -1.896 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.792 -0.254 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.866 -0.589 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.291 -3.258 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.694 -1.945 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.951 -2.620 -7.624 1.00 0.00 H new ATOM 614 N GLU A 43 -6.532 -0.967 -7.705 1.00 0.00 N ATOM 615 CA GLU A 43 -7.966 -1.322 -7.899 1.00 0.00 C ATOM 616 C GLU A 43 -8.840 -0.151 -7.451 1.00 0.00 C ATOM 617 O GLU A 43 -10.030 -0.295 -7.251 1.00 0.00 O ATOM 618 CB GLU A 43 -8.315 -2.560 -7.067 1.00 0.00 C ATOM 619 CG GLU A 43 -9.253 -3.466 -7.867 1.00 0.00 C ATOM 620 CD GLU A 43 -9.558 -4.729 -7.059 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.438 -4.675 -5.845 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.904 -5.728 -7.666 1.00 0.00 O ATOM 0 H GLU A 43 -6.149 -1.192 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.143 -1.536 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.407 -3.102 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.790 -2.261 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.178 -2.937 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.793 -3.733 -8.819 1.00 0.00 H new ATOM 629 N SER A 44 -8.260 1.005 -7.285 1.00 0.00 N ATOM 630 CA SER A 44 -9.065 2.177 -6.840 1.00 0.00 C ATOM 631 C SER A 44 -8.833 3.350 -7.792 1.00 0.00 C ATOM 632 O SER A 44 -9.061 4.493 -7.447 1.00 0.00 O ATOM 633 CB SER A 44 -8.638 2.579 -5.427 1.00 0.00 C ATOM 634 OG SER A 44 -7.280 2.997 -5.450 1.00 0.00 O ATOM 0 H SER A 44 -7.268 1.189 -7.437 1.00 0.00 H new ATOM 0 HA SER A 44 -10.122 1.912 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.273 3.385 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.761 1.738 -4.744 1.00 0.00 H new ATOM 0 HG SER A 44 -6.709 2.239 -5.693 1.00 0.00 H new ATOM 640 N ASN A 45 -8.372 3.086 -8.983 1.00 0.00 N ATOM 641 CA ASN A 45 -8.121 4.199 -9.939 1.00 0.00 C ATOM 642 C ASN A 45 -6.940 5.022 -9.422 1.00 0.00 C ATOM 643 O ASN A 45 -6.770 6.175 -9.763 1.00 0.00 O ATOM 644 CB ASN A 45 -9.363 5.093 -10.033 1.00 0.00 C ATOM 645 CG ASN A 45 -9.804 5.203 -11.493 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.467 4.325 -12.007 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.465 6.254 -12.186 1.00 0.00 N ATOM 0 H ASN A 45 -8.159 2.152 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.899 3.797 -10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.170 4.678 -9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.143 6.083 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.757 6.339 -13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.908 6.992 -11.754 1.00 0.00 H new ATOM 654 N GLY A 46 -6.127 4.429 -8.592 1.00 0.00 N ATOM 655 CA GLY A 46 -4.955 5.158 -8.033 1.00 0.00 C ATOM 656 C GLY A 46 -5.426 6.433 -7.338 1.00 0.00 C ATOM 657 O GLY A 46 -4.745 7.439 -7.331 1.00 0.00 O ATOM 0 H GLY A 46 -6.225 3.464 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.423 4.522 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.254 5.405 -8.830 1.00 0.00 H new ATOM 661 N THR A 47 -6.583 6.391 -6.739 1.00 0.00 N ATOM 662 CA THR A 47 -7.095 7.591 -6.024 1.00 0.00 C ATOM 663 C THR A 47 -6.769 7.454 -4.535 1.00 0.00 C ATOM 664 O THR A 47 -6.974 8.364 -3.757 1.00 0.00 O ATOM 665 CB THR A 47 -8.610 7.696 -6.217 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.058 8.960 -5.749 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.306 6.582 -5.432 1.00 0.00 C ATOM 0 H THR A 47 -7.196 5.576 -6.714 1.00 0.00 H new ATOM 0 HA THR A 47 -6.625 8.490 -6.422 1.00 0.00 H new ATOM 0 HB THR A 47 -8.850 7.594 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.632 9.160 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.384 6.658 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.962 5.613 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.068 6.680 -4.373 1.00 0.00 H new ATOM 675 N LEU A 48 -6.258 6.318 -4.133 1.00 0.00 N ATOM 676 CA LEU A 48 -5.914 6.113 -2.704 1.00 0.00 C ATOM 677 C LEU A 48 -4.448 6.482 -2.475 1.00 0.00 C ATOM 678 O LEU A 48 -3.562 6.013 -3.161 1.00 0.00 O ATOM 679 CB LEU A 48 -6.138 4.634 -2.343 1.00 0.00 C ATOM 680 CG LEU A 48 -5.237 4.226 -1.168 1.00 0.00 C ATOM 681 CD1 LEU A 48 -5.553 5.084 0.051 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.470 2.751 -0.835 1.00 0.00 C ATOM 0 H LEU A 48 -6.065 5.522 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.544 6.744 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.184 4.472 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.925 4.006 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.194 4.375 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.910 4.789 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.379 6.133 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.596 4.945 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.831 2.461 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.514 2.600 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.231 2.139 -1.705 1.00 0.00 H new ATOM 694 N THR A 49 -4.187 7.298 -1.498 1.00 0.00 N ATOM 695 CA THR A 49 -2.785 7.676 -1.199 1.00 0.00 C ATOM 696 C THR A 49 -2.517 7.385 0.268 1.00 0.00 C ATOM 697 O THR A 49 -3.342 7.637 1.111 1.00 0.00 O ATOM 698 CB THR A 49 -2.572 9.158 -1.462 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.121 9.911 -0.389 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.256 9.550 -2.769 1.00 0.00 C ATOM 0 H THR A 49 -4.889 7.721 -0.891 1.00 0.00 H new ATOM 0 HA THR A 49 -2.107 7.107 -1.835 1.00 0.00 H new ATOM 0 HB THR A 49 -1.505 9.364 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.983 10.867 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.102 10.613 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.831 8.972 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.324 9.345 -2.696 1.00 0.00 H new ATOM 708 N LEU A 50 -1.381 6.858 0.581 1.00 0.00 N ATOM 709 CA LEU A 50 -1.078 6.542 1.990 1.00 0.00 C ATOM 710 C LEU A 50 -1.100 7.827 2.816 1.00 0.00 C ATOM 711 O LEU A 50 -0.896 8.913 2.311 1.00 0.00 O ATOM 712 CB LEU A 50 0.288 5.855 2.024 1.00 0.00 C ATOM 713 CG LEU A 50 0.942 5.959 3.399 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.526 4.759 4.241 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.457 5.946 3.216 1.00 0.00 C ATOM 0 H LEU A 50 -0.642 6.630 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.822 5.873 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.173 4.805 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.940 6.306 1.276 1.00 0.00 H new ATOM 0 HG LEU A 50 0.632 6.878 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.990 4.827 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.558 4.750 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.849 3.841 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.942 6.020 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.757 5.017 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.756 6.792 2.597 1.00 0.00 H new ATOM 727 N SER A 51 -1.358 7.698 4.085 1.00 0.00 N ATOM 728 CA SER A 51 -1.415 8.885 4.970 1.00 0.00 C ATOM 729 C SER A 51 -0.265 8.797 5.970 1.00 0.00 C ATOM 730 O SER A 51 0.164 9.783 6.537 1.00 0.00 O ATOM 731 CB SER A 51 -2.756 8.898 5.714 1.00 0.00 C ATOM 732 OG SER A 51 -3.461 10.091 5.395 1.00 0.00 O ATOM 0 H SER A 51 -1.534 6.807 4.550 1.00 0.00 H new ATOM 0 HA SER A 51 -1.326 9.801 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.348 8.027 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.589 8.838 6.789 1.00 0.00 H new ATOM 0 HG SER A 51 -4.319 10.100 5.868 1.00 0.00 H new ATOM 738 N HIS A 52 0.241 7.613 6.178 1.00 0.00 N ATOM 739 CA HIS A 52 1.376 7.436 7.130 1.00 0.00 C ATOM 740 C HIS A 52 1.756 5.953 7.204 1.00 0.00 C ATOM 741 O HIS A 52 0.904 5.086 7.260 1.00 0.00 O ATOM 742 CB HIS A 52 0.965 7.934 8.519 1.00 0.00 C ATOM 743 CG HIS A 52 -0.046 6.992 9.115 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.194 6.291 10.288 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.301 6.618 8.707 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.891 5.536 10.537 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.833 5.700 9.606 1.00 0.00 N ATOM 0 H HIS A 52 -0.083 6.757 5.728 1.00 0.00 H new ATOM 0 HA HIS A 52 2.234 8.011 6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.840 8.001 9.166 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.544 8.937 8.447 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.039 6.339 10.857 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.801 6.982 7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.988 4.877 11.387 1.00 0.00 H new ATOM 755 N PHE A 53 3.029 5.652 7.197 1.00 0.00 N ATOM 756 CA PHE A 53 3.452 4.225 7.261 1.00 0.00 C ATOM 757 C PHE A 53 3.097 3.640 8.625 1.00 0.00 C ATOM 758 O PHE A 53 3.666 3.996 9.638 1.00 0.00 O ATOM 759 CB PHE A 53 4.958 4.115 7.055 1.00 0.00 C ATOM 760 CG PHE A 53 5.287 4.311 5.598 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.366 5.603 5.073 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.515 3.203 4.772 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.672 5.790 3.723 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.822 3.391 3.419 1.00 0.00 C ATOM 765 CZ PHE A 53 5.901 4.685 2.895 1.00 0.00 C ATOM 0 H PHE A 53 3.789 6.330 7.150 1.00 0.00 H new ATOM 0 HA PHE A 53 2.935 3.674 6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.473 4.863 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.310 3.139 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.191 6.457 5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.454 2.204 5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.732 6.789 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.998 2.538 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.139 4.832 1.852 1.00 0.00 H new ATOM 775 N GLY A 54 2.163 2.741 8.650 1.00 0.00 N ATOM 776 CA GLY A 54 1.752 2.112 9.921 1.00 0.00 C ATOM 777 C GLY A 54 0.313 1.637 9.775 1.00 0.00 C ATOM 778 O GLY A 54 -0.294 1.765 8.730 1.00 0.00 O ATOM 0 H GLY A 54 1.659 2.411 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.406 1.273 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.835 2.824 10.742 1.00 0.00 H new ATOM 782 N LYS A 55 -0.240 1.111 10.817 1.00 0.00 N ATOM 783 CA LYS A 55 -1.649 0.646 10.751 1.00 0.00 C ATOM 784 C LYS A 55 -2.558 1.815 11.125 1.00 0.00 C ATOM 785 O LYS A 55 -2.716 2.145 12.284 1.00 0.00 O ATOM 786 CB LYS A 55 -1.903 -0.525 11.717 1.00 0.00 C ATOM 787 CG LYS A 55 -0.842 -0.600 12.826 1.00 0.00 C ATOM 788 CD LYS A 55 0.472 -1.185 12.284 1.00 0.00 C ATOM 789 CE LYS A 55 1.551 -1.090 13.366 1.00 0.00 C ATOM 790 NZ LYS A 55 2.297 0.190 13.219 1.00 0.00 N ATOM 0 H LYS A 55 0.220 0.980 11.718 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.857 0.296 9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.890 -0.416 12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.909 -1.461 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.662 0.396 13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.209 -1.217 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.327 -2.224 11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.785 -0.641 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.095 -1.145 14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.237 -1.933 13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.029 0.252 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.745 0.225 12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.639 0.989 13.318 1.00 0.00 H new ATOM 804 N CYS A 56 -3.144 2.454 10.151 1.00 0.00 N ATOM 805 CA CYS A 56 -4.031 3.613 10.450 1.00 0.00 C ATOM 806 C CYS A 56 -4.918 3.285 11.653 1.00 0.00 C ATOM 807 O CYS A 56 -5.943 2.652 11.454 1.00 0.00 O ATOM 808 CB CYS A 56 -4.909 3.912 9.236 1.00 0.00 C ATOM 809 SG CYS A 56 -4.752 5.662 8.804 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.557 3.670 12.753 1.00 0.00 O ATOM 0 H CYS A 56 -3.047 2.224 9.162 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.419 4.485 10.679 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.609 3.289 8.393 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.949 3.671 9.456 1.00 0.00 H new TER 815 CYS A 56