USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.098) USER MOD Single : A 1 ASN N :NH3+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.0993 (180deg=-1.03) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -37:sc= 0.21 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 113:sc= 0.585 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= 0.531 (180deg=-0.1) USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.0412 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.252 (180deg=-1.06) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 SER OG : rot -99:sc= -0.103 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.451 K(o=0.45,f=-0.34) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0.757 (180deg=0.523) USER MOD Single : A 75 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.522 34.170 28.924 1.00 20.00 N ATOM 2 CA ASN A 1 10.788 34.320 28.182 1.00 20.00 C ATOM 3 C ASN A 1 11.218 32.981 27.583 1.00 20.00 C ATOM 4 O ASN A 1 11.354 31.999 28.315 1.00 20.00 O ATOM 5 CB ASN A 1 11.909 34.858 29.085 1.00 20.00 C ATOM 6 CG ASN A 1 11.544 36.139 29.837 1.00 20.00 C ATOM 7 OD1 ASN A 1 10.915 37.034 29.283 1.00 20.00 O ATOM 8 ND2 ASN A 1 11.939 36.228 31.107 1.00 20.00 N ATOM 0 H1 ASN A 1 9.147 35.110 29.165 1.00 20.00 H new ATOM 0 H2 ASN A 1 8.832 33.663 28.334 1.00 20.00 H new ATOM 0 H3 ASN A 1 9.693 33.632 29.797 1.00 20.00 H new ATOM 0 HA ASN A 1 10.613 35.039 27.382 1.00 20.00 H new ATOM 0 HB2 ASN A 1 12.179 34.089 29.809 1.00 20.00 H new ATOM 0 HB3 ASN A 1 12.793 35.046 28.476 1.00 20.00 H new ATOM 0 HD21 ASN A 1 11.719 37.062 31.652 1.00 20.00 H new ATOM 0 HD22 ASN A 1 12.461 35.462 31.534 1.00 20.00 H new ATOM 17 N GLU A 2 11.435 32.943 26.260 1.00 20.00 N ATOM 18 CA GLU A 2 11.911 31.752 25.562 1.00 20.00 C ATOM 19 C GLU A 2 13.400 31.513 25.850 1.00 20.00 C ATOM 20 O GLU A 2 13.728 30.608 26.615 1.00 20.00 O ATOM 21 CB GLU A 2 11.583 31.839 24.060 1.00 20.00 C ATOM 22 CG GLU A 2 11.868 30.508 23.353 1.00 20.00 C ATOM 23 CD GLU A 2 10.978 29.357 23.826 1.00 20.00 C ATOM 24 OE1 GLU A 2 9.768 29.386 23.511 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.519 28.445 24.490 1.00 20.00 O ATOM 0 H GLU A 2 11.283 33.744 25.647 1.00 20.00 H new ATOM 0 HA GLU A 2 11.384 30.876 25.941 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.535 32.106 23.929 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.174 32.632 23.601 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.734 30.641 22.279 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.912 30.238 23.513 1.00 20.00 H new ATOM 32 N CYS A 3 14.293 32.301 25.237 1.00 20.00 N ATOM 33 CA CYS A 3 15.730 32.031 25.197 1.00 20.00 C ATOM 34 C CYS A 3 16.440 32.161 26.548 1.00 20.00 C ATOM 35 O CYS A 3 17.429 31.470 26.789 1.00 20.00 O ATOM 36 CB CYS A 3 16.363 32.959 24.170 1.00 20.00 C ATOM 37 SG CYS A 3 16.299 34.727 24.507 1.00 20.00 S ATOM 0 H CYS A 3 14.030 33.157 24.748 1.00 20.00 H new ATOM 0 HA CYS A 3 15.853 30.985 24.918 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.409 32.674 24.057 1.00 20.00 H new ATOM 0 HB3 CYS A 3 15.879 32.781 23.210 1.00 20.00 H new ATOM 42 N VAL A 4 15.910 33.011 27.433 1.00 20.00 N ATOM 43 CA VAL A 4 16.347 33.140 28.826 1.00 20.00 C ATOM 44 C VAL A 4 16.231 31.780 29.531 1.00 20.00 C ATOM 45 O VAL A 4 17.190 31.335 30.161 1.00 20.00 O ATOM 46 CB VAL A 4 15.523 34.214 29.573 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.006 34.384 31.023 1.00 20.00 C ATOM 48 CG2 VAL A 4 15.590 35.594 28.903 1.00 20.00 C ATOM 0 H VAL A 4 15.146 33.644 27.194 1.00 20.00 H new ATOM 0 HA VAL A 4 17.389 33.460 28.836 1.00 20.00 H new ATOM 0 HB VAL A 4 14.496 33.851 29.546 1.00 20.00 H new ATOM 0 HG11 VAL A 4 15.406 35.146 31.519 1.00 20.00 H new ATOM 0 HG12 VAL A 4 15.903 33.438 31.554 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.053 34.689 31.025 1.00 20.00 H new ATOM 0 HG21 VAL A 4 14.992 36.305 29.473 1.00 20.00 H new ATOM 0 HG22 VAL A 4 16.625 35.933 28.872 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.200 35.525 27.887 1.00 20.00 H new ATOM 58 N SER A 5 15.069 31.121 29.401 1.00 20.00 N ATOM 59 CA SER A 5 14.781 29.818 29.993 1.00 20.00 C ATOM 60 C SER A 5 15.540 28.671 29.306 1.00 20.00 C ATOM 61 O SER A 5 15.831 27.674 29.966 1.00 20.00 O ATOM 62 CB SER A 5 13.267 29.581 29.938 1.00 20.00 C ATOM 63 OG SER A 5 12.906 28.434 30.679 1.00 20.00 O ATOM 0 H SER A 5 14.286 31.496 28.865 1.00 20.00 H new ATOM 0 HA SER A 5 15.126 29.827 31.027 1.00 20.00 H new ATOM 0 HB2 SER A 5 12.745 30.452 30.333 1.00 20.00 H new ATOM 0 HB3 SER A 5 12.951 29.463 28.901 1.00 20.00 H new ATOM 0 HG SER A 5 11.936 28.305 30.630 1.00 20.00 H new ATOM 69 N LYS A 6 15.890 28.809 28.015 1.00 20.00 N ATOM 70 CA LYS A 6 16.692 27.833 27.269 1.00 20.00 C ATOM 71 C LYS A 6 18.141 27.753 27.778 1.00 20.00 C ATOM 72 O LYS A 6 18.770 26.707 27.611 1.00 20.00 O ATOM 73 CB LYS A 6 16.701 28.190 25.771 1.00 20.00 C ATOM 74 CG LYS A 6 15.355 27.987 25.053 1.00 20.00 C ATOM 75 CD LYS A 6 15.000 26.528 24.734 1.00 20.00 C ATOM 76 CE LYS A 6 15.615 26.021 23.425 1.00 20.00 C ATOM 77 NZ LYS A 6 17.038 25.658 23.553 1.00 20.00 N ATOM 0 H LYS A 6 15.617 29.617 27.455 1.00 20.00 H new ATOM 0 HA LYS A 6 16.229 26.858 27.423 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.002 29.232 25.662 1.00 20.00 H new ATOM 0 HB3 LYS A 6 17.458 27.585 25.272 1.00 20.00 H new ATOM 0 HG2 LYS A 6 14.564 28.410 25.672 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.369 28.553 24.122 1.00 20.00 H new ATOM 0 HD2 LYS A 6 15.336 25.893 25.554 1.00 20.00 H new ATOM 0 HD3 LYS A 6 13.916 26.430 24.679 1.00 20.00 H new ATOM 0 HE2 LYS A 6 15.055 25.152 23.081 1.00 20.00 H new ATOM 0 HE3 LYS A 6 15.511 26.791 22.660 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 17.277 24.934 22.845 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 17.627 26.501 23.398 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 17.216 25.282 24.506 1.00 20.00 H new ATOM 91 N GLY A 7 18.660 28.823 28.402 1.00 20.00 N ATOM 92 CA GLY A 7 20.010 28.900 28.962 1.00 20.00 C ATOM 93 C GLY A 7 20.887 29.993 28.339 1.00 20.00 C ATOM 94 O GLY A 7 22.033 30.143 28.761 1.00 20.00 O ATOM 0 H GLY A 7 18.130 29.685 28.532 1.00 20.00 H new ATOM 0 HA2 GLY A 7 19.937 29.076 30.035 1.00 20.00 H new ATOM 0 HA3 GLY A 7 20.502 27.936 28.830 1.00 20.00 H new ATOM 98 N PHE A 8 20.376 30.747 27.353 1.00 20.00 N ATOM 99 CA PHE A 8 21.109 31.810 26.666 1.00 20.00 C ATOM 100 C PHE A 8 21.184 33.099 27.502 1.00 20.00 C ATOM 101 O PHE A 8 20.582 33.201 28.573 1.00 20.00 O ATOM 102 CB PHE A 8 20.487 32.048 25.284 1.00 20.00 C ATOM 103 CG PHE A 8 20.420 30.795 24.423 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.610 30.144 24.054 1.00 20.00 C ATOM 105 CD2 PHE A 8 19.187 30.262 24.001 1.00 20.00 C ATOM 106 CE1 PHE A 8 21.578 28.997 23.242 1.00 20.00 C ATOM 107 CE2 PHE A 8 19.149 29.112 23.194 1.00 20.00 C ATOM 108 CZ PHE A 8 20.346 28.487 22.801 1.00 20.00 C ATOM 0 H PHE A 8 19.423 30.629 27.008 1.00 20.00 H new ATOM 0 HA PHE A 8 22.142 31.489 26.531 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.480 32.446 25.411 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.066 32.808 24.760 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.559 30.529 24.398 1.00 20.00 H new ATOM 0 HD2 PHE A 8 18.265 30.740 24.299 1.00 20.00 H new ATOM 0 HE1 PHE A 8 22.499 28.509 22.958 1.00 20.00 H new ATOM 0 HE2 PHE A 8 18.200 28.708 22.875 1.00 20.00 H new ATOM 0 HZ PHE A 8 20.318 27.617 22.162 1.00 20.00 H new ATOM 118 N GLY A 9 21.976 34.067 27.018 1.00 20.00 N ATOM 119 CA GLY A 9 22.613 35.075 27.872 1.00 20.00 C ATOM 120 C GLY A 9 22.096 36.505 27.798 1.00 20.00 C ATOM 121 O GLY A 9 22.515 37.353 28.586 1.00 20.00 O ATOM 0 H GLY A 9 22.191 34.171 26.026 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.524 34.741 28.906 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.676 35.092 27.633 1.00 20.00 H new ATOM 125 N CYS A 10 21.199 36.743 26.850 1.00 20.00 N ATOM 126 CA CYS A 10 20.658 38.036 26.432 1.00 20.00 C ATOM 127 C CYS A 10 21.692 39.171 26.440 1.00 20.00 C ATOM 128 O CYS A 10 21.472 40.216 27.054 1.00 20.00 O ATOM 129 CB CYS A 10 19.407 38.382 27.247 1.00 20.00 C ATOM 130 SG CYS A 10 18.030 37.252 26.993 1.00 20.00 S ATOM 0 H CYS A 10 20.797 35.978 26.309 1.00 20.00 H new ATOM 0 HA CYS A 10 20.369 37.933 25.386 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.667 38.389 28.306 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.087 39.392 26.990 1.00 20.00 H new ATOM 135 N LEU A 11 22.822 38.967 25.747 1.00 20.00 N ATOM 136 CA LEU A 11 23.828 40.005 25.535 1.00 20.00 C ATOM 137 C LEU A 11 23.221 41.153 24.706 1.00 20.00 C ATOM 138 O LEU A 11 22.293 40.916 23.929 1.00 20.00 O ATOM 139 CB LEU A 11 25.053 39.408 24.809 1.00 20.00 C ATOM 140 CG LEU A 11 26.093 38.675 25.689 1.00 20.00 C ATOM 141 CD1 LEU A 11 26.818 39.628 26.653 1.00 20.00 C ATOM 142 CD2 LEU A 11 25.502 37.496 26.472 1.00 20.00 C ATOM 0 H LEU A 11 23.060 38.072 25.318 1.00 20.00 H new ATOM 0 HA LEU A 11 24.151 40.398 26.499 1.00 20.00 H new ATOM 0 HB2 LEU A 11 24.694 38.709 24.054 1.00 20.00 H new ATOM 0 HB3 LEU A 11 25.562 40.214 24.281 1.00 20.00 H new ATOM 0 HG LEU A 11 26.820 38.272 24.984 1.00 20.00 H new ATOM 0 HD11 LEU A 11 27.537 39.066 27.248 1.00 20.00 H new ATOM 0 HD12 LEU A 11 27.341 40.395 26.082 1.00 20.00 H new ATOM 0 HD13 LEU A 11 26.091 40.100 27.313 1.00 20.00 H new ATOM 0 HD21 LEU A 11 26.284 37.026 27.068 1.00 20.00 H new ATOM 0 HD22 LEU A 11 24.711 37.856 27.130 1.00 20.00 H new ATOM 0 HD23 LEU A 11 25.090 36.766 25.775 1.00 20.00 H new ATOM 154 N PRO A 12 23.739 42.391 24.825 1.00 20.00 N ATOM 155 CA PRO A 12 23.279 43.521 24.027 1.00 20.00 C ATOM 156 C PRO A 12 23.644 43.343 22.550 1.00 20.00 C ATOM 157 O PRO A 12 24.530 42.558 22.212 1.00 20.00 O ATOM 158 CB PRO A 12 23.926 44.760 24.653 1.00 20.00 C ATOM 159 CG PRO A 12 25.191 44.213 25.301 1.00 20.00 C ATOM 160 CD PRO A 12 24.800 42.802 25.730 1.00 20.00 C ATOM 0 HA PRO A 12 22.193 43.613 24.036 1.00 20.00 H new ATOM 0 HB2 PRO A 12 24.155 45.516 23.902 1.00 20.00 H new ATOM 0 HB3 PRO A 12 23.270 45.228 25.387 1.00 20.00 H new ATOM 0 HG2 PRO A 12 26.026 44.201 24.601 1.00 20.00 H new ATOM 0 HG3 PRO A 12 25.498 44.819 26.153 1.00 20.00 H new ATOM 0 HD2 PRO A 12 25.651 42.124 25.667 1.00 20.00 H new ATOM 0 HD3 PRO A 12 24.458 42.789 26.765 1.00 20.00 H new ATOM 168 N GLN A 13 22.972 44.100 21.673 1.00 20.00 N ATOM 169 CA GLN A 13 23.267 44.127 20.240 1.00 20.00 C ATOM 170 C GLN A 13 24.661 44.719 19.959 1.00 20.00 C ATOM 171 O GLN A 13 25.222 44.462 18.897 1.00 20.00 O ATOM 172 CB GLN A 13 22.169 44.913 19.501 1.00 20.00 C ATOM 173 CG GLN A 13 20.854 44.117 19.451 1.00 20.00 C ATOM 174 CD GLN A 13 19.709 44.868 18.770 1.00 20.00 C ATOM 175 OE1 GLN A 13 19.869 45.448 17.698 1.00 20.00 O ATOM 176 NE2 GLN A 13 18.525 44.842 19.378 1.00 20.00 N ATOM 0 H GLN A 13 22.204 44.714 21.943 1.00 20.00 H new ATOM 0 HA GLN A 13 23.279 43.102 19.870 1.00 20.00 H new ATOM 0 HB2 GLN A 13 22.001 45.867 20.001 1.00 20.00 H new ATOM 0 HB3 GLN A 13 22.499 45.139 18.487 1.00 20.00 H new ATOM 0 HG2 GLN A 13 21.027 43.179 18.923 1.00 20.00 H new ATOM 0 HG3 GLN A 13 20.555 43.861 20.467 1.00 20.00 H new ATOM 0 HE21 GLN A 13 18.419 44.354 20.267 1.00 20.00 H new ATOM 0 HE22 GLN A 13 17.724 45.310 18.955 1.00 20.00 H new ATOM 185 N SER A 14 25.252 45.452 20.914 1.00 20.00 N ATOM 186 CA SER A 14 26.637 45.909 20.872 1.00 20.00 C ATOM 187 C SER A 14 27.636 44.749 21.001 1.00 20.00 C ATOM 188 O SER A 14 28.623 44.729 20.267 1.00 20.00 O ATOM 189 CB SER A 14 26.856 46.915 22.006 1.00 20.00 C ATOM 190 OG SER A 14 26.106 48.094 21.787 1.00 20.00 O ATOM 0 H SER A 14 24.761 45.748 21.757 1.00 20.00 H new ATOM 0 HA SER A 14 26.814 46.376 19.903 1.00 20.00 H new ATOM 0 HB2 SER A 14 26.567 46.466 22.956 1.00 20.00 H new ATOM 0 HB3 SER A 14 27.915 47.161 22.079 1.00 20.00 H new ATOM 0 HG SER A 14 26.260 48.721 22.524 1.00 20.00 H new ATOM 196 N ASP A 15 27.400 43.797 21.920 1.00 20.00 N ATOM 197 CA ASP A 15 28.333 42.710 22.226 1.00 20.00 C ATOM 198 C ASP A 15 28.099 41.477 21.344 1.00 20.00 C ATOM 199 O ASP A 15 29.063 40.940 20.799 1.00 20.00 O ATOM 200 CB ASP A 15 28.233 42.323 23.714 1.00 20.00 C ATOM 201 CG ASP A 15 28.667 43.422 24.694 1.00 20.00 C ATOM 202 OD1 ASP A 15 29.370 44.366 24.270 1.00 20.00 O ATOM 203 OD2 ASP A 15 28.295 43.304 25.882 1.00 20.00 O ATOM 0 H ASP A 15 26.545 43.764 22.475 1.00 20.00 H new ATOM 0 HA ASP A 15 29.337 43.078 22.012 1.00 20.00 H new ATOM 0 HB2 ASP A 15 27.202 42.045 23.934 1.00 20.00 H new ATOM 0 HB3 ASP A 15 28.846 41.438 23.887 1.00 20.00 H new ATOM 208 N CYS A 16 26.842 41.022 21.216 1.00 20.00 N ATOM 209 CA CYS A 16 26.457 39.827 20.477 1.00 20.00 C ATOM 210 C CYS A 16 26.766 39.992 18.976 1.00 20.00 C ATOM 211 O CYS A 16 26.199 40.888 18.344 1.00 20.00 O ATOM 212 CB CYS A 16 24.961 39.549 20.684 1.00 20.00 C ATOM 213 SG CYS A 16 24.440 37.940 20.025 1.00 20.00 S ATOM 0 H CYS A 16 26.046 41.497 21.641 1.00 20.00 H new ATOM 0 HA CYS A 16 27.034 38.982 20.853 1.00 20.00 H new ATOM 0 HB2 CYS A 16 24.734 39.590 21.749 1.00 20.00 H new ATOM 0 HB3 CYS A 16 24.381 40.337 20.204 1.00 20.00 H new ATOM 218 N PRO A 17 27.634 39.146 18.381 1.00 20.00 N ATOM 219 CA PRO A 17 27.913 39.174 16.950 1.00 20.00 C ATOM 220 C PRO A 17 26.700 38.651 16.167 1.00 20.00 C ATOM 221 O PRO A 17 25.858 37.938 16.713 1.00 20.00 O ATOM 222 CB PRO A 17 29.159 38.303 16.777 1.00 20.00 C ATOM 223 CG PRO A 17 28.990 37.249 17.868 1.00 20.00 C ATOM 224 CD PRO A 17 28.352 38.044 19.007 1.00 20.00 C ATOM 0 HA PRO A 17 28.093 40.177 16.563 1.00 20.00 H new ATOM 0 HB2 PRO A 17 29.204 37.854 15.785 1.00 20.00 H new ATOM 0 HB3 PRO A 17 30.076 38.878 16.909 1.00 20.00 H new ATOM 0 HG2 PRO A 17 28.353 36.427 17.542 1.00 20.00 H new ATOM 0 HG3 PRO A 17 29.945 36.815 18.163 1.00 20.00 H new ATOM 0 HD2 PRO A 17 27.674 37.418 19.587 1.00 20.00 H new ATOM 0 HD3 PRO A 17 29.111 38.415 19.696 1.00 20.00 H new ATOM 232 N GLN A 18 26.605 39.022 14.885 1.00 20.00 N ATOM 233 CA GLN A 18 25.380 38.898 14.082 1.00 20.00 C ATOM 234 C GLN A 18 25.066 37.446 13.688 1.00 20.00 C ATOM 235 O GLN A 18 23.937 37.132 13.316 1.00 20.00 O ATOM 236 CB GLN A 18 25.493 39.799 12.839 1.00 20.00 C ATOM 237 CG GLN A 18 25.522 41.289 13.219 1.00 20.00 C ATOM 238 CD GLN A 18 25.660 42.192 11.995 1.00 20.00 C ATOM 239 OE1 GLN A 18 26.756 42.361 11.463 1.00 20.00 O ATOM 240 NE2 GLN A 18 24.557 42.790 11.546 1.00 20.00 N ATOM 0 H GLN A 18 27.387 39.423 14.368 1.00 20.00 H new ATOM 0 HA GLN A 18 24.543 39.226 14.699 1.00 20.00 H new ATOM 0 HB2 GLN A 18 26.398 39.546 12.287 1.00 20.00 H new ATOM 0 HB3 GLN A 18 24.651 39.609 12.174 1.00 20.00 H new ATOM 0 HG2 GLN A 18 24.608 41.544 13.755 1.00 20.00 H new ATOM 0 HG3 GLN A 18 26.353 41.473 13.900 1.00 20.00 H new ATOM 0 HE21 GLN A 18 23.664 42.628 12.011 1.00 20.00 H new ATOM 0 HE22 GLN A 18 24.606 43.410 10.737 1.00 20.00 H new ATOM 249 N GLU A 19 26.064 36.568 13.805 1.00 20.00 N ATOM 250 CA GLU A 19 26.015 35.122 13.638 1.00 20.00 C ATOM 251 C GLU A 19 25.296 34.427 14.803 1.00 20.00 C ATOM 252 O GLU A 19 24.531 33.490 14.579 1.00 20.00 O ATOM 253 CB GLU A 19 27.454 34.595 13.488 1.00 20.00 C ATOM 254 CG GLU A 19 28.445 35.110 14.546 1.00 20.00 C ATOM 255 CD GLU A 19 29.845 34.554 14.309 1.00 20.00 C ATOM 256 OE1 GLU A 19 30.606 35.208 13.562 1.00 20.00 O ATOM 257 OE2 GLU A 19 30.144 33.484 14.884 1.00 20.00 O ATOM 0 H GLU A 19 27.006 36.882 14.039 1.00 20.00 H new ATOM 0 HA GLU A 19 25.438 34.894 12.742 1.00 20.00 H new ATOM 0 HB2 GLU A 19 27.433 33.506 13.530 1.00 20.00 H new ATOM 0 HB3 GLU A 19 27.825 34.869 12.500 1.00 20.00 H new ATOM 0 HG2 GLU A 19 28.475 36.199 14.520 1.00 20.00 H new ATOM 0 HG3 GLU A 19 28.101 34.824 15.540 1.00 20.00 H new ATOM 264 N ALA A 20 25.545 34.892 16.035 1.00 20.00 N ATOM 265 CA ALA A 20 25.023 34.332 17.275 1.00 20.00 C ATOM 266 C ALA A 20 23.599 34.803 17.612 1.00 20.00 C ATOM 267 O ALA A 20 23.014 34.294 18.568 1.00 20.00 O ATOM 268 CB ALA A 20 25.988 34.687 18.413 1.00 20.00 C ATOM 0 H ALA A 20 26.142 35.704 16.194 1.00 20.00 H new ATOM 0 HA ALA A 20 24.951 33.252 17.146 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.613 34.275 19.350 1.00 20.00 H new ATOM 0 HB2 ALA A 20 26.971 34.267 18.200 1.00 20.00 H new ATOM 0 HB3 ALA A 20 26.067 35.771 18.499 1.00 20.00 H new ATOM 274 N ARG A 21 23.035 35.756 16.851 1.00 20.00 N ATOM 275 CA ARG A 21 21.700 36.307 17.090 1.00 20.00 C ATOM 276 C ARG A 21 20.613 35.286 16.740 1.00 20.00 C ATOM 277 O ARG A 21 20.285 35.087 15.570 1.00 20.00 O ATOM 278 CB ARG A 21 21.495 37.628 16.332 1.00 20.00 C ATOM 279 CG ARG A 21 22.438 38.706 16.875 1.00 20.00 C ATOM 280 CD ARG A 21 22.228 40.057 16.197 1.00 20.00 C ATOM 281 NE ARG A 21 23.347 40.954 16.507 1.00 20.00 N ATOM 282 CZ ARG A 21 23.377 42.280 16.331 1.00 20.00 C ATOM 283 NH1 ARG A 21 22.303 42.976 15.955 1.00 20.00 N ATOM 284 NH2 ARG A 21 24.519 42.927 16.538 1.00 20.00 N ATOM 0 H ARG A 21 23.503 36.167 16.044 1.00 20.00 H new ATOM 0 HA ARG A 21 21.617 36.527 18.154 1.00 20.00 H new ATOM 0 HB2 ARG A 21 21.679 37.477 15.268 1.00 20.00 H new ATOM 0 HB3 ARG A 21 20.460 37.956 16.433 1.00 20.00 H new ATOM 0 HG2 ARG A 21 22.283 38.813 17.949 1.00 20.00 H new ATOM 0 HG3 ARG A 21 23.471 38.387 16.732 1.00 20.00 H new ATOM 0 HD2 ARG A 21 22.147 39.923 15.118 1.00 20.00 H new ATOM 0 HD3 ARG A 21 21.291 40.501 16.534 1.00 20.00 H new ATOM 0 HE ARG A 21 24.186 40.524 16.896 1.00 20.00 H new ATOM 0 HH11 ARG A 21 21.417 42.498 15.791 1.00 20.00 H new ATOM 0 HH12 ARG A 21 22.368 43.986 15.832 1.00 20.00 H new ATOM 0 HH21 ARG A 21 25.352 42.413 16.826 1.00 20.00 H new ATOM 0 HH22 ARG A 21 24.563 43.938 16.409 1.00 20.00 H new ATOM 298 N LEU A 22 20.056 34.657 17.780 1.00 20.00 N ATOM 299 CA LEU A 22 18.899 33.767 17.728 1.00 20.00 C ATOM 300 C LEU A 22 17.619 34.540 17.366 1.00 20.00 C ATOM 301 O LEU A 22 17.603 35.772 17.346 1.00 20.00 O ATOM 302 CB LEU A 22 18.741 33.095 19.102 1.00 20.00 C ATOM 303 CG LEU A 22 19.878 32.133 19.493 1.00 20.00 C ATOM 304 CD1 LEU A 22 19.811 31.877 21.002 1.00 20.00 C ATOM 305 CD2 LEU A 22 19.761 30.806 18.736 1.00 20.00 C ATOM 0 H LEU A 22 20.421 34.762 18.727 1.00 20.00 H new ATOM 0 HA LEU A 22 19.058 33.015 16.955 1.00 20.00 H new ATOM 0 HB2 LEU A 22 18.666 33.872 19.863 1.00 20.00 H new ATOM 0 HB3 LEU A 22 17.800 32.545 19.114 1.00 20.00 H new ATOM 0 HG LEU A 22 20.833 32.587 19.229 1.00 20.00 H new ATOM 0 HD11 LEU A 22 20.612 31.197 21.292 1.00 20.00 H new ATOM 0 HD12 LEU A 22 19.925 32.820 21.536 1.00 20.00 H new ATOM 0 HD13 LEU A 22 18.848 31.432 21.253 1.00 20.00 H new ATOM 0 HD21 LEU A 22 20.576 30.146 19.031 1.00 20.00 H new ATOM 0 HD22 LEU A 22 18.808 30.334 18.974 1.00 20.00 H new ATOM 0 HD23 LEU A 22 19.816 30.993 17.664 1.00 20.00 H new ATOM 317 N SER A 23 16.536 33.796 17.105 1.00 20.00 N ATOM 318 CA SER A 23 15.247 34.307 16.629 1.00 20.00 C ATOM 319 C SER A 23 14.132 34.204 17.686 1.00 20.00 C ATOM 320 O SER A 23 13.020 34.677 17.449 1.00 20.00 O ATOM 321 CB SER A 23 14.881 33.570 15.333 1.00 20.00 C ATOM 322 OG SER A 23 13.826 34.218 14.656 1.00 20.00 O ATOM 0 H SER A 23 16.535 32.783 17.225 1.00 20.00 H new ATOM 0 HA SER A 23 15.346 35.374 16.430 1.00 20.00 H new ATOM 0 HB2 SER A 23 15.755 33.517 14.683 1.00 20.00 H new ATOM 0 HB3 SER A 23 14.592 32.545 15.564 1.00 20.00 H new ATOM 0 HG SER A 23 13.190 34.577 15.309 1.00 20.00 H new ATOM 328 N TYR A 24 14.426 33.620 18.858 1.00 20.00 N ATOM 329 CA TYR A 24 13.574 33.582 20.039 1.00 20.00 C ATOM 330 C TYR A 24 13.320 34.992 20.609 1.00 20.00 C ATOM 331 O TYR A 24 13.901 35.978 20.150 1.00 20.00 O ATOM 332 CB TYR A 24 14.290 32.718 21.085 1.00 20.00 C ATOM 333 CG TYR A 24 14.575 31.271 20.720 1.00 20.00 C ATOM 334 CD1 TYR A 24 15.868 30.752 20.923 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.555 30.429 20.236 1.00 20.00 C ATOM 336 CE1 TYR A 24 16.151 29.406 20.638 1.00 20.00 C ATOM 337 CE2 TYR A 24 13.822 29.074 19.968 1.00 20.00 C ATOM 338 CZ TYR A 24 15.123 28.556 20.170 1.00 20.00 C ATOM 339 OH TYR A 24 15.389 27.244 19.919 1.00 20.00 O ATOM 0 H TYR A 24 15.313 33.139 19.007 1.00 20.00 H new ATOM 0 HA TYR A 24 12.601 33.168 19.775 1.00 20.00 H new ATOM 0 HB2 TYR A 24 15.239 33.198 21.326 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.690 32.724 21.995 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.649 31.395 21.301 1.00 20.00 H new ATOM 0 HD2 TYR A 24 12.564 30.825 20.070 1.00 20.00 H new ATOM 0 HE1 TYR A 24 17.151 29.022 20.776 1.00 20.00 H new ATOM 0 HE2 TYR A 24 13.034 28.429 19.608 1.00 20.00 H new ATOM 0 HH TYR A 24 14.574 26.799 19.605 1.00 20.00 H new ATOM 349 N GLY A 25 12.468 35.070 21.641 1.00 20.00 N ATOM 350 CA GLY A 25 12.143 36.289 22.374 1.00 20.00 C ATOM 351 C GLY A 25 12.429 36.172 23.876 1.00 20.00 C ATOM 352 O GLY A 25 12.837 35.118 24.369 1.00 20.00 O ATOM 0 H GLY A 25 11.971 34.253 21.996 1.00 20.00 H new ATOM 0 HA2 GLY A 25 12.717 37.119 21.963 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.089 36.526 22.227 1.00 20.00 H new ATOM 356 N GLY A 26 12.179 37.272 24.598 1.00 20.00 N ATOM 357 CA GLY A 26 12.198 37.338 26.058 1.00 20.00 C ATOM 358 C GLY A 26 13.387 38.097 26.659 1.00 20.00 C ATOM 359 O GLY A 26 13.428 38.252 27.878 1.00 20.00 O ATOM 0 H GLY A 26 11.951 38.167 24.165 1.00 20.00 H new ATOM 0 HA2 GLY A 26 11.276 37.811 26.397 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.199 36.322 26.452 1.00 20.00 H new ATOM 363 N CYS A 27 14.344 38.567 25.843 1.00 20.00 N ATOM 364 CA CYS A 27 15.490 39.348 26.311 1.00 20.00 C ATOM 365 C CYS A 27 15.140 40.807 26.615 1.00 20.00 C ATOM 366 O CYS A 27 14.027 41.272 26.364 1.00 20.00 O ATOM 367 CB CYS A 27 16.609 39.304 25.266 1.00 20.00 C ATOM 368 SG CYS A 27 17.434 37.716 25.112 1.00 20.00 S ATOM 0 H CYS A 27 14.340 38.412 24.835 1.00 20.00 H new ATOM 0 HA CYS A 27 15.817 38.893 27.246 1.00 20.00 H new ATOM 0 HB2 CYS A 27 16.192 39.577 24.296 1.00 20.00 H new ATOM 0 HB3 CYS A 27 17.352 40.061 25.518 1.00 20.00 H new ATOM 373 N SER A 28 16.148 41.532 27.118 1.00 20.00 N ATOM 374 CA SER A 28 16.148 42.987 27.218 1.00 20.00 C ATOM 375 C SER A 28 16.635 43.624 25.910 1.00 20.00 C ATOM 376 O SER A 28 16.409 44.815 25.700 1.00 20.00 O ATOM 377 CB SER A 28 17.081 43.423 28.355 1.00 20.00 C ATOM 378 OG SER A 28 16.673 42.887 29.597 1.00 20.00 O ATOM 0 H SER A 28 17.004 41.107 27.474 1.00 20.00 H new ATOM 0 HA SER A 28 15.128 43.316 27.416 1.00 20.00 H new ATOM 0 HB2 SER A 28 18.099 43.100 28.135 1.00 20.00 H new ATOM 0 HB3 SER A 28 17.098 44.511 28.416 1.00 20.00 H new ATOM 0 HG SER A 28 17.289 43.183 30.299 1.00 20.00 H new ATOM 384 N THR A 29 17.310 42.843 25.049 1.00 20.00 N ATOM 385 CA THR A 29 18.045 43.312 23.880 1.00 20.00 C ATOM 386 C THR A 29 17.920 42.339 22.701 1.00 20.00 C ATOM 387 O THR A 29 17.284 42.682 21.704 1.00 20.00 O ATOM 388 CB THR A 29 19.523 43.578 24.237 1.00 20.00 C ATOM 389 OG1 THR A 29 20.077 42.517 24.997 1.00 20.00 O ATOM 390 CG2 THR A 29 19.691 44.879 25.027 1.00 20.00 C ATOM 0 H THR A 29 17.355 41.830 25.160 1.00 20.00 H new ATOM 0 HA THR A 29 17.598 44.254 23.562 1.00 20.00 H new ATOM 0 HB THR A 29 20.052 43.660 23.287 1.00 20.00 H new ATOM 0 HG1 THR A 29 20.757 42.053 24.465 1.00 20.00 H new ATOM 0 HG21 THR A 29 20.745 45.030 25.259 1.00 20.00 H new ATOM 0 HG22 THR A 29 19.327 45.716 24.431 1.00 20.00 H new ATOM 0 HG23 THR A 29 19.121 44.818 25.954 1.00 20.00 H new ATOM 398 N VAL A 30 18.558 41.162 22.793 1.00 20.00 N ATOM 399 CA VAL A 30 18.640 40.152 21.732 1.00 20.00 C ATOM 400 C VAL A 30 19.113 38.820 22.331 1.00 20.00 C ATOM 401 O VAL A 30 20.033 38.796 23.148 1.00 20.00 O ATOM 402 CB VAL A 30 19.566 40.639 20.580 1.00 20.00 C ATOM 403 CG1 VAL A 30 21.029 40.886 20.987 1.00 20.00 C ATOM 404 CG2 VAL A 30 19.548 39.681 19.382 1.00 20.00 C ATOM 0 H VAL A 30 19.049 40.879 23.641 1.00 20.00 H new ATOM 0 HA VAL A 30 17.653 39.996 21.297 1.00 20.00 H new ATOM 0 HB VAL A 30 19.139 41.603 20.302 1.00 20.00 H new ATOM 0 HG11 VAL A 30 21.596 41.222 20.119 1.00 20.00 H new ATOM 0 HG12 VAL A 30 21.067 41.650 21.763 1.00 20.00 H new ATOM 0 HG13 VAL A 30 21.462 39.961 21.367 1.00 20.00 H new ATOM 0 HG21 VAL A 30 20.208 40.061 18.602 1.00 20.00 H new ATOM 0 HG22 VAL A 30 19.890 38.696 19.699 1.00 20.00 H new ATOM 0 HG23 VAL A 30 18.533 39.605 18.992 1.00 20.00 H new ATOM 414 N CYS A 31 18.489 37.710 21.914 1.00 20.00 N ATOM 415 CA CYS A 31 18.887 36.352 22.278 1.00 20.00 C ATOM 416 C CYS A 31 20.209 36.002 21.582 1.00 20.00 C ATOM 417 O CYS A 31 20.319 36.165 20.367 1.00 20.00 O ATOM 418 CB CYS A 31 17.773 35.382 21.868 1.00 20.00 C ATOM 419 SG CYS A 31 16.150 35.576 22.657 1.00 20.00 S ATOM 0 H CYS A 31 17.675 37.737 21.300 1.00 20.00 H new ATOM 0 HA CYS A 31 19.040 36.276 23.355 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.634 35.468 20.790 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.122 34.368 22.065 1.00 20.00 H new ATOM 424 N CYS A 32 21.205 35.532 22.351 1.00 20.00 N ATOM 425 CA CYS A 32 22.571 35.300 21.888 1.00 20.00 C ATOM 426 C CYS A 32 23.051 33.901 22.300 1.00 20.00 C ATOM 427 O CYS A 32 23.185 33.631 23.495 1.00 20.00 O ATOM 428 CB CYS A 32 23.498 36.395 22.445 1.00 20.00 C ATOM 429 SG CYS A 32 25.010 36.612 21.469 1.00 20.00 S ATOM 0 H CYS A 32 21.073 35.299 23.335 1.00 20.00 H new ATOM 0 HA CYS A 32 22.594 35.347 20.799 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.955 37.340 22.478 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.768 36.147 23.471 1.00 20.00 H new ATOM 434 N ASP A 33 23.303 33.011 21.323 1.00 20.00 N ATOM 435 CA ASP A 33 23.773 31.652 21.589 1.00 20.00 C ATOM 436 C ASP A 33 25.190 31.635 22.177 1.00 20.00 C ATOM 437 O ASP A 33 26.137 32.142 21.578 1.00 20.00 O ATOM 438 CB ASP A 33 23.604 30.707 20.383 1.00 20.00 C ATOM 439 CG ASP A 33 24.138 31.197 19.034 1.00 20.00 C ATOM 440 OD1 ASP A 33 25.363 31.413 18.923 1.00 20.00 O ATOM 441 OD2 ASP A 33 23.318 31.277 18.092 1.00 20.00 O ATOM 0 H ASP A 33 23.185 33.219 20.332 1.00 20.00 H new ATOM 0 HA ASP A 33 23.119 31.247 22.361 1.00 20.00 H new ATOM 0 HB2 ASP A 33 24.097 29.764 20.620 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.542 30.491 20.268 1.00 20.00 H new ATOM 446 N LEU A 34 25.314 31.050 23.376 1.00 20.00 N ATOM 447 CA LEU A 34 26.569 30.925 24.115 1.00 20.00 C ATOM 448 C LEU A 34 27.225 29.550 23.915 1.00 20.00 C ATOM 449 O LEU A 34 28.444 29.437 24.035 1.00 20.00 O ATOM 450 CB LEU A 34 26.325 31.146 25.616 1.00 20.00 C ATOM 451 CG LEU A 34 25.552 32.421 26.011 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.485 32.484 27.542 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.188 33.708 25.467 1.00 20.00 C ATOM 0 H LEU A 34 24.520 30.641 23.869 1.00 20.00 H new ATOM 0 HA LEU A 34 27.244 31.686 23.725 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.781 30.284 26.003 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.292 31.165 26.119 1.00 20.00 H new ATOM 0 HG LEU A 34 24.558 32.361 25.569 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.942 33.379 27.846 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.970 31.601 27.920 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.495 32.517 27.949 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.596 34.567 25.781 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.202 33.805 25.855 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.219 33.667 24.378 1.00 20.00 H new ATOM 465 N SER A 35 26.428 28.514 23.610 1.00 20.00 N ATOM 466 CA SER A 35 26.852 27.114 23.522 1.00 20.00 C ATOM 467 C SER A 35 27.787 26.812 22.339 1.00 20.00 C ATOM 468 O SER A 35 28.365 25.727 22.293 1.00 20.00 O ATOM 469 CB SER A 35 25.606 26.224 23.419 1.00 20.00 C ATOM 470 OG SER A 35 24.779 26.355 24.555 1.00 20.00 O ATOM 0 H SER A 35 25.435 28.636 23.411 1.00 20.00 H new ATOM 0 HA SER A 35 27.426 26.906 24.425 1.00 20.00 H new ATOM 0 HB2 SER A 35 25.042 26.489 22.525 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.910 25.183 23.307 1.00 20.00 H new ATOM 0 HG SER A 35 23.994 25.777 24.457 1.00 20.00 H new ATOM 476 N LYS A 36 27.941 27.757 21.400 1.00 20.00 N ATOM 477 CA LYS A 36 28.710 27.633 20.159 1.00 20.00 C ATOM 478 C LYS A 36 29.588 28.861 19.866 1.00 20.00 C ATOM 479 O LYS A 36 30.210 28.929 18.806 1.00 20.00 O ATOM 480 CB LYS A 36 27.748 27.323 18.992 1.00 20.00 C ATOM 481 CG LYS A 36 26.612 28.358 18.868 1.00 20.00 C ATOM 482 CD LYS A 36 25.752 28.161 17.611 1.00 20.00 C ATOM 483 CE LYS A 36 26.392 28.730 16.339 1.00 20.00 C ATOM 484 NZ LYS A 36 26.422 30.206 16.352 1.00 20.00 N ATOM 0 H LYS A 36 27.508 28.676 21.494 1.00 20.00 H new ATOM 0 HA LYS A 36 29.409 26.806 20.280 1.00 20.00 H new ATOM 0 HB2 LYS A 36 28.312 27.294 18.059 1.00 20.00 H new ATOM 0 HB3 LYS A 36 27.317 26.332 19.135 1.00 20.00 H new ATOM 0 HG2 LYS A 36 25.975 28.297 19.750 1.00 20.00 H new ATOM 0 HG3 LYS A 36 27.041 29.360 18.854 1.00 20.00 H new ATOM 0 HD2 LYS A 36 25.566 27.096 17.470 1.00 20.00 H new ATOM 0 HD3 LYS A 36 24.783 28.636 17.765 1.00 20.00 H new ATOM 0 HE2 LYS A 36 27.408 28.347 16.241 1.00 20.00 H new ATOM 0 HE3 LYS A 36 25.836 28.386 15.467 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 25.842 30.572 15.570 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 26.043 30.553 17.256 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 27.402 30.534 16.239 1.00 20.00 H new ATOM 498 N LEU A 37 29.637 29.820 20.797 1.00 20.00 N ATOM 499 CA LEU A 37 30.321 31.102 20.642 1.00 20.00 C ATOM 500 C LEU A 37 31.849 30.939 20.635 1.00 20.00 C ATOM 501 O LEU A 37 32.515 31.542 19.795 1.00 20.00 O ATOM 502 CB LEU A 37 29.869 32.071 21.758 1.00 20.00 C ATOM 503 CG LEU A 37 29.328 33.418 21.235 1.00 20.00 C ATOM 504 CD1 LEU A 37 28.808 34.248 22.414 1.00 20.00 C ATOM 505 CD2 LEU A 37 30.386 34.242 20.491 1.00 20.00 C ATOM 0 H LEU A 37 29.187 29.719 21.707 1.00 20.00 H new ATOM 0 HA LEU A 37 30.046 31.521 19.674 1.00 20.00 H new ATOM 0 HB2 LEU A 37 29.096 31.587 22.355 1.00 20.00 H new ATOM 0 HB3 LEU A 37 30.711 32.262 22.423 1.00 20.00 H new ATOM 0 HG LEU A 37 28.532 33.184 20.528 1.00 20.00 H new ATOM 0 HD11 LEU A 37 28.425 35.200 22.048 1.00 20.00 H new ATOM 0 HD12 LEU A 37 28.008 33.705 22.917 1.00 20.00 H new ATOM 0 HD13 LEU A 37 29.621 34.430 23.117 1.00 20.00 H new ATOM 0 HD21 LEU A 37 29.944 35.177 20.148 1.00 20.00 H new ATOM 0 HD22 LEU A 37 31.217 34.458 21.162 1.00 20.00 H new ATOM 0 HD23 LEU A 37 30.750 33.677 19.633 1.00 20.00 H new ATOM 517 N THR A 38 32.394 30.123 21.554 1.00 20.00 N ATOM 518 CA THR A 38 33.832 29.935 21.763 1.00 20.00 C ATOM 519 C THR A 38 34.283 28.539 21.314 1.00 20.00 C ATOM 520 O THR A 38 34.897 28.423 20.255 1.00 20.00 O ATOM 521 CB THR A 38 34.244 30.267 23.213 1.00 20.00 C ATOM 522 OG1 THR A 38 33.487 29.546 24.165 1.00 20.00 O ATOM 523 CG2 THR A 38 34.111 31.763 23.519 1.00 20.00 C ATOM 0 H THR A 38 31.826 29.562 22.188 1.00 20.00 H new ATOM 0 HA THR A 38 34.361 30.647 21.129 1.00 20.00 H new ATOM 0 HB THR A 38 35.290 29.972 23.291 1.00 20.00 H new ATOM 0 HG1 THR A 38 33.542 29.995 25.034 1.00 20.00 H new ATOM 0 HG21 THR A 38 34.411 31.952 24.550 1.00 20.00 H new ATOM 0 HG22 THR A 38 34.752 32.331 22.845 1.00 20.00 H new ATOM 0 HG23 THR A 38 33.075 32.072 23.381 1.00 20.00 H new ATOM 531 N GLY A 39 33.993 27.492 22.096 1.00 20.00 N ATOM 532 CA GLY A 39 34.353 26.113 21.794 1.00 20.00 C ATOM 533 C GLY A 39 34.514 25.287 23.067 1.00 20.00 C ATOM 534 O GLY A 39 33.521 24.832 23.629 1.00 20.00 O ATOM 0 H GLY A 39 33.489 27.589 22.977 1.00 20.00 H new ATOM 0 HA2 GLY A 39 33.586 25.665 21.163 1.00 20.00 H new ATOM 0 HA3 GLY A 39 35.283 26.094 21.226 1.00 20.00 H new ATOM 538 N CYS A 40 35.764 25.103 23.516 1.00 20.00 N ATOM 539 CA CYS A 40 36.133 24.288 24.676 1.00 20.00 C ATOM 540 C CYS A 40 35.433 24.744 25.966 1.00 20.00 C ATOM 541 O CYS A 40 35.031 23.913 26.779 1.00 20.00 O ATOM 542 CB CYS A 40 37.658 24.338 24.860 1.00 20.00 C ATOM 543 SG CYS A 40 38.465 22.753 25.196 1.00 20.00 S ATOM 0 H CYS A 40 36.571 25.533 23.064 1.00 20.00 H new ATOM 0 HA CYS A 40 35.804 23.267 24.483 1.00 20.00 H new ATOM 0 HB2 CYS A 40 38.100 24.765 23.960 1.00 20.00 H new ATOM 0 HB3 CYS A 40 37.884 25.020 25.680 1.00 20.00 H new ATOM 548 N LYS A 41 35.275 26.066 26.134 1.00 20.00 N ATOM 549 CA LYS A 41 34.739 26.721 27.324 1.00 20.00 C ATOM 550 C LYS A 41 33.227 26.512 27.530 1.00 20.00 C ATOM 551 O LYS A 41 32.720 26.859 28.597 1.00 20.00 O ATOM 552 CB LYS A 41 35.092 28.219 27.233 1.00 20.00 C ATOM 553 CG LYS A 41 35.152 28.909 28.607 1.00 20.00 C ATOM 554 CD LYS A 41 35.797 30.299 28.534 1.00 20.00 C ATOM 555 CE LYS A 41 34.926 31.285 27.754 1.00 20.00 C ATOM 556 NZ LYS A 41 35.580 32.599 27.636 1.00 20.00 N ATOM 0 H LYS A 41 35.531 26.733 25.406 1.00 20.00 H new ATOM 0 HA LYS A 41 35.196 26.262 28.201 1.00 20.00 H new ATOM 0 HB2 LYS A 41 36.055 28.330 26.735 1.00 20.00 H new ATOM 0 HB3 LYS A 41 34.352 28.724 26.612 1.00 20.00 H new ATOM 0 HG2 LYS A 41 34.143 29.000 29.010 1.00 20.00 H new ATOM 0 HG3 LYS A 41 35.717 28.285 29.300 1.00 20.00 H new ATOM 0 HD2 LYS A 41 35.962 30.678 29.543 1.00 20.00 H new ATOM 0 HD3 LYS A 41 36.775 30.222 28.059 1.00 20.00 H new ATOM 0 HE2 LYS A 41 34.723 30.887 26.760 1.00 20.00 H new ATOM 0 HE3 LYS A 41 33.964 31.399 28.254 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 34.965 33.246 27.102 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 35.751 32.988 28.585 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 36.486 32.492 27.137 1.00 20.00 H new ATOM 570 N GLY A 42 32.508 25.940 26.550 1.00 20.00 N ATOM 571 CA GLY A 42 31.077 25.655 26.630 1.00 20.00 C ATOM 572 C GLY A 42 30.755 24.646 27.733 1.00 20.00 C ATOM 573 O GLY A 42 30.049 24.974 28.686 1.00 20.00 O ATOM 0 H GLY A 42 32.922 25.658 25.661 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.533 26.581 26.815 1.00 20.00 H new ATOM 0 HA3 GLY A 42 30.730 25.268 25.672 1.00 20.00 H new ATOM 577 N LYS A 43 31.298 23.430 27.600 1.00 20.00 N ATOM 578 CA LYS A 43 31.211 22.341 28.574 1.00 20.00 C ATOM 579 C LYS A 43 32.039 22.591 29.845 1.00 20.00 C ATOM 580 O LYS A 43 31.744 21.983 30.873 1.00 20.00 O ATOM 581 CB LYS A 43 31.705 21.045 27.912 1.00 20.00 C ATOM 582 CG LYS A 43 30.670 20.367 26.999 1.00 20.00 C ATOM 583 CD LYS A 43 29.570 19.655 27.803 1.00 20.00 C ATOM 584 CE LYS A 43 28.753 18.734 26.894 1.00 20.00 C ATOM 585 NZ LYS A 43 27.819 17.897 27.671 1.00 20.00 N ATOM 0 H LYS A 43 31.834 23.169 26.772 1.00 20.00 H new ATOM 0 HA LYS A 43 30.167 22.269 28.880 1.00 20.00 H new ATOM 0 HB2 LYS A 43 32.598 21.267 27.328 1.00 20.00 H new ATOM 0 HB3 LYS A 43 32.000 20.342 28.691 1.00 20.00 H new ATOM 0 HG2 LYS A 43 30.217 21.114 26.348 1.00 20.00 H new ATOM 0 HG3 LYS A 43 31.173 19.646 26.355 1.00 20.00 H new ATOM 0 HD2 LYS A 43 30.018 19.075 28.610 1.00 20.00 H new ATOM 0 HD3 LYS A 43 28.915 20.393 28.267 1.00 20.00 H new ATOM 0 HE2 LYS A 43 28.194 19.333 26.175 1.00 20.00 H new ATOM 0 HE3 LYS A 43 29.426 18.095 26.322 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 27.281 17.285 27.025 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 28.355 17.308 28.340 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 27.161 18.507 28.197 1.00 20.00 H new ATOM 599 N GLY A 44 33.055 23.464 29.781 1.00 20.00 N ATOM 600 CA GLY A 44 33.944 23.783 30.894 1.00 20.00 C ATOM 601 C GLY A 44 35.326 23.147 30.725 1.00 20.00 C ATOM 602 O GLY A 44 35.786 22.439 31.621 1.00 20.00 O ATOM 0 H GLY A 44 33.282 23.978 28.930 1.00 20.00 H new ATOM 0 HA2 GLY A 44 34.050 24.865 30.974 1.00 20.00 H new ATOM 0 HA3 GLY A 44 33.497 23.436 31.826 1.00 20.00 H new ATOM 606 N GLY A 45 35.978 23.405 29.583 1.00 20.00 N ATOM 607 CA GLY A 45 37.341 22.980 29.284 1.00 20.00 C ATOM 608 C GLY A 45 38.207 24.093 28.690 1.00 20.00 C ATOM 609 O GLY A 45 37.738 25.210 28.461 1.00 20.00 O ATOM 0 H GLY A 45 35.552 23.933 28.821 1.00 20.00 H new ATOM 0 HA2 GLY A 45 37.809 22.614 30.198 1.00 20.00 H new ATOM 0 HA3 GLY A 45 37.308 22.143 28.586 1.00 20.00 H new ATOM 613 N GLU A 46 39.484 23.764 28.447 1.00 20.00 N ATOM 614 CA GLU A 46 40.499 24.654 27.893 1.00 20.00 C ATOM 615 C GLU A 46 41.418 23.946 26.885 1.00 20.00 C ATOM 616 O GLU A 46 41.569 22.725 26.905 1.00 20.00 O ATOM 617 CB GLU A 46 41.281 25.323 29.034 1.00 20.00 C ATOM 618 CG GLU A 46 42.171 24.393 29.873 1.00 20.00 C ATOM 619 CD GLU A 46 41.388 23.465 30.806 1.00 20.00 C ATOM 620 OE1 GLU A 46 41.455 22.235 30.595 1.00 20.00 O ATOM 621 OE2 GLU A 46 40.746 23.994 31.740 1.00 20.00 O ATOM 0 H GLU A 46 39.847 22.831 28.641 1.00 20.00 H new ATOM 0 HA GLU A 46 39.995 25.433 27.321 1.00 20.00 H new ATOM 0 HB2 GLU A 46 41.907 26.107 28.608 1.00 20.00 H new ATOM 0 HB3 GLU A 46 40.569 25.810 29.700 1.00 20.00 H new ATOM 0 HG2 GLU A 46 42.782 23.788 29.203 1.00 20.00 H new ATOM 0 HG3 GLU A 46 42.855 24.999 30.468 1.00 20.00 H new ATOM 628 N CYS A 47 42.038 24.749 26.010 1.00 20.00 N ATOM 629 CA CYS A 47 42.781 24.347 24.815 1.00 20.00 C ATOM 630 C CYS A 47 44.305 24.382 25.067 1.00 20.00 C ATOM 631 O CYS A 47 45.072 24.908 24.261 1.00 20.00 O ATOM 632 CB CYS A 47 42.303 25.272 23.683 1.00 20.00 C ATOM 633 SG CYS A 47 42.840 24.956 21.979 1.00 20.00 S ATOM 0 H CYS A 47 42.032 25.762 26.129 1.00 20.00 H new ATOM 0 HA CYS A 47 42.588 23.312 24.534 1.00 20.00 H new ATOM 0 HB2 CYS A 47 41.213 25.258 23.689 1.00 20.00 H new ATOM 0 HB3 CYS A 47 42.610 26.286 23.939 1.00 20.00 H new ATOM 638 N ASN A 48 44.736 23.845 26.220 1.00 20.00 N ATOM 639 CA ASN A 48 46.121 23.801 26.701 1.00 20.00 C ATOM 640 C ASN A 48 47.058 22.965 25.803 1.00 20.00 C ATOM 641 O ASN A 48 46.586 22.160 25.000 1.00 20.00 O ATOM 642 CB ASN A 48 46.106 23.255 28.145 1.00 20.00 C ATOM 643 CG ASN A 48 46.166 24.355 29.205 1.00 20.00 C ATOM 644 OD1 ASN A 48 46.999 24.302 30.106 1.00 20.00 O ATOM 645 ND2 ASN A 48 45.296 25.361 29.115 1.00 20.00 N ATOM 0 H ASN A 48 44.089 23.406 26.876 1.00 20.00 H new ATOM 0 HA ASN A 48 46.527 24.812 26.671 1.00 20.00 H new ATOM 0 HB2 ASN A 48 45.202 22.665 28.294 1.00 20.00 H new ATOM 0 HB3 ASN A 48 46.952 22.582 28.281 1.00 20.00 H new ATOM 0 HD21 ASN A 48 45.312 26.112 29.805 1.00 20.00 H new ATOM 0 HD22 ASN A 48 44.615 25.380 28.356 1.00 20.00 H new ATOM 652 N PRO A 49 48.392 23.119 25.950 1.00 20.00 N ATOM 653 CA PRO A 49 49.386 22.430 25.129 1.00 20.00 C ATOM 654 C PRO A 49 49.411 20.913 25.371 1.00 20.00 C ATOM 655 O PRO A 49 48.928 20.418 26.391 1.00 20.00 O ATOM 656 CB PRO A 49 50.730 23.082 25.481 1.00 20.00 C ATOM 657 CG PRO A 49 50.518 23.595 26.901 1.00 20.00 C ATOM 658 CD PRO A 49 49.054 24.020 26.884 1.00 20.00 C ATOM 0 HA PRO A 49 49.149 22.532 24.070 1.00 20.00 H new ATOM 0 HB2 PRO A 49 51.549 22.364 25.432 1.00 20.00 H new ATOM 0 HB3 PRO A 49 50.975 23.892 24.794 1.00 20.00 H new ATOM 0 HG2 PRO A 49 50.707 22.821 27.645 1.00 20.00 H new ATOM 0 HG3 PRO A 49 51.180 24.429 27.134 1.00 20.00 H new ATOM 0 HD2 PRO A 49 48.613 23.946 27.878 1.00 20.00 H new ATOM 0 HD3 PRO A 49 48.951 25.058 26.566 1.00 20.00 H new ATOM 666 N LEU A 50 50.032 20.185 24.433 1.00 20.00 N ATOM 667 CA LEU A 50 50.322 18.754 24.546 1.00 20.00 C ATOM 668 C LEU A 50 51.377 18.463 25.629 1.00 20.00 C ATOM 669 O LEU A 50 51.428 17.340 26.130 1.00 20.00 O ATOM 670 CB LEU A 50 50.810 18.222 23.184 1.00 20.00 C ATOM 671 CG LEU A 50 49.732 18.211 22.078 1.00 20.00 C ATOM 672 CD1 LEU A 50 50.388 18.075 20.697 1.00 20.00 C ATOM 673 CD2 LEU A 50 48.734 17.059 22.258 1.00 20.00 C ATOM 0 H LEU A 50 50.354 20.588 23.553 1.00 20.00 H new ATOM 0 HA LEU A 50 49.403 18.247 24.840 1.00 20.00 H new ATOM 0 HB2 LEU A 50 51.650 18.832 22.850 1.00 20.00 H new ATOM 0 HB3 LEU A 50 51.186 17.208 23.318 1.00 20.00 H new ATOM 0 HG LEU A 50 49.193 19.155 22.153 1.00 20.00 H new ATOM 0 HD11 LEU A 50 49.617 18.069 19.927 1.00 20.00 H new ATOM 0 HD12 LEU A 50 51.061 18.916 20.530 1.00 20.00 H new ATOM 0 HD13 LEU A 50 50.953 17.144 20.653 1.00 20.00 H new ATOM 0 HD21 LEU A 50 47.994 17.090 21.458 1.00 20.00 H new ATOM 0 HD22 LEU A 50 49.266 16.108 22.224 1.00 20.00 H new ATOM 0 HD23 LEU A 50 48.232 17.159 23.220 1.00 20.00 H new ATOM 685 N ASP A 51 52.182 19.466 26.016 1.00 20.00 N ATOM 686 CA ASP A 51 53.166 19.408 27.094 1.00 20.00 C ATOM 687 C ASP A 51 52.487 19.159 28.446 1.00 20.00 C ATOM 688 O ASP A 51 53.000 18.382 29.251 1.00 20.00 O ATOM 689 CB ASP A 51 53.946 20.732 27.106 1.00 20.00 C ATOM 690 CG ASP A 51 54.964 20.807 28.246 1.00 20.00 C ATOM 691 OD1 ASP A 51 54.591 21.343 29.314 1.00 20.00 O ATOM 692 OD2 ASP A 51 56.105 20.339 28.040 1.00 20.00 O ATOM 0 H ASP A 51 52.158 20.379 25.561 1.00 20.00 H new ATOM 0 HA ASP A 51 53.851 18.577 26.924 1.00 20.00 H new ATOM 0 HB2 ASP A 51 54.463 20.853 26.154 1.00 20.00 H new ATOM 0 HB3 ASP A 51 53.245 21.561 27.196 1.00 20.00 H new ATOM 697 N ARG A 52 51.330 19.799 28.676 1.00 20.00 N ATOM 698 CA ARG A 52 50.490 19.581 29.845 1.00 20.00 C ATOM 699 C ARG A 52 49.765 18.239 29.697 1.00 20.00 C ATOM 700 O ARG A 52 49.199 17.965 28.639 1.00 20.00 O ATOM 701 CB ARG A 52 49.496 20.749 29.967 1.00 20.00 C ATOM 702 CG ARG A 52 48.932 20.957 31.379 1.00 20.00 C ATOM 703 CD ARG A 52 50.018 21.417 32.365 1.00 20.00 C ATOM 704 NE ARG A 52 49.456 22.185 33.486 1.00 20.00 N ATOM 705 CZ ARG A 52 49.098 21.722 34.694 1.00 20.00 C ATOM 706 NH1 ARG A 52 49.214 20.434 35.025 1.00 20.00 N ATOM 707 NH2 ARG A 52 48.612 22.574 35.597 1.00 20.00 N ATOM 0 H ARG A 52 50.951 20.496 28.035 1.00 20.00 H new ATOM 0 HA ARG A 52 51.091 19.544 30.754 1.00 20.00 H new ATOM 0 HB2 ARG A 52 49.991 21.666 29.648 1.00 20.00 H new ATOM 0 HB3 ARG A 52 48.668 20.578 29.280 1.00 20.00 H new ATOM 0 HG2 ARG A 52 48.133 21.698 31.346 1.00 20.00 H new ATOM 0 HG3 ARG A 52 48.489 20.027 31.734 1.00 20.00 H new ATOM 0 HD2 ARG A 52 50.548 20.547 32.752 1.00 20.00 H new ATOM 0 HD3 ARG A 52 50.750 22.028 31.838 1.00 20.00 H new ATOM 0 HE ARG A 52 49.323 23.184 33.328 1.00 20.00 H new ATOM 0 HH11 ARG A 52 49.585 19.765 34.350 1.00 20.00 H new ATOM 0 HH12 ARG A 52 48.932 20.118 35.953 1.00 20.00 H new ATOM 0 HH21 ARG A 52 48.516 23.563 35.366 1.00 20.00 H new ATOM 0 HH22 ARG A 52 48.336 22.237 36.519 1.00 20.00 H new ATOM 721 N GLN A 53 49.776 17.405 30.744 1.00 20.00 N ATOM 722 CA GLN A 53 49.094 16.117 30.744 1.00 20.00 C ATOM 723 C GLN A 53 47.586 16.323 30.860 1.00 20.00 C ATOM 724 O GLN A 53 47.097 16.939 31.808 1.00 20.00 O ATOM 725 CB GLN A 53 49.614 15.231 31.875 1.00 20.00 C ATOM 726 CG GLN A 53 49.031 13.815 31.804 1.00 20.00 C ATOM 727 CD GLN A 53 49.652 12.892 32.852 1.00 20.00 C ATOM 728 OE1 GLN A 53 49.491 13.108 34.049 1.00 20.00 O ATOM 729 NE2 GLN A 53 50.359 11.849 32.418 1.00 20.00 N ATOM 0 H GLN A 53 50.262 17.611 31.617 1.00 20.00 H new ATOM 0 HA GLN A 53 49.301 15.610 29.802 1.00 20.00 H new ATOM 0 HB2 GLN A 53 50.702 15.179 31.825 1.00 20.00 H new ATOM 0 HB3 GLN A 53 49.360 15.681 32.835 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.952 13.858 31.952 1.00 20.00 H new ATOM 0 HG3 GLN A 53 49.200 13.402 30.810 1.00 20.00 H new ATOM 0 HE21 GLN A 53 50.477 11.694 31.417 1.00 20.00 H new ATOM 0 HE22 GLN A 53 50.782 11.206 33.087 1.00 20.00 H new ATOM 738 N CYS A 54 46.871 15.787 29.870 1.00 20.00 N ATOM 739 CA CYS A 54 45.412 15.773 29.791 1.00 20.00 C ATOM 740 C CYS A 54 44.925 14.841 28.674 1.00 20.00 C ATOM 741 O CYS A 54 45.695 14.446 27.797 1.00 20.00 O ATOM 742 CB CYS A 54 44.888 17.200 29.560 1.00 20.00 C ATOM 743 SG CYS A 54 43.616 17.751 30.727 1.00 20.00 S ATOM 0 H CYS A 54 47.311 15.333 29.070 1.00 20.00 H new ATOM 0 HA CYS A 54 45.022 15.395 30.736 1.00 20.00 H new ATOM 0 HB2 CYS A 54 45.729 17.892 29.610 1.00 20.00 H new ATOM 0 HB3 CYS A 54 44.484 17.263 28.550 1.00 20.00 H new ATOM 748 N LYS A 55 43.622 14.534 28.693 1.00 20.00 N ATOM 749 CA LYS A 55 42.926 13.767 27.658 1.00 20.00 C ATOM 750 C LYS A 55 42.642 14.647 26.429 1.00 20.00 C ATOM 751 O LYS A 55 42.743 15.872 26.497 1.00 20.00 O ATOM 752 CB LYS A 55 41.642 13.179 28.274 1.00 20.00 C ATOM 753 CG LYS A 55 41.039 12.021 27.453 1.00 20.00 C ATOM 754 CD LYS A 55 39.904 11.261 28.161 1.00 20.00 C ATOM 755 CE LYS A 55 40.365 10.145 29.111 1.00 20.00 C ATOM 756 NZ LYS A 55 41.020 10.650 30.331 1.00 20.00 N ATOM 0 H LYS A 55 43.006 14.822 29.453 1.00 20.00 H new ATOM 0 HA LYS A 55 43.550 12.946 27.304 1.00 20.00 H new ATOM 0 HB2 LYS A 55 41.861 12.824 29.281 1.00 20.00 H new ATOM 0 HB3 LYS A 55 40.899 13.971 28.370 1.00 20.00 H new ATOM 0 HG2 LYS A 55 40.661 12.418 26.511 1.00 20.00 H new ATOM 0 HG3 LYS A 55 41.833 11.316 27.206 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.306 11.975 28.727 1.00 20.00 H new ATOM 0 HD3 LYS A 55 39.250 10.827 27.404 1.00 20.00 H new ATOM 0 HE2 LYS A 55 39.504 9.540 29.394 1.00 20.00 H new ATOM 0 HE3 LYS A 55 41.056 9.489 28.581 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 40.826 10.003 31.122 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 42.047 10.709 30.175 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 40.650 11.595 30.558 1.00 20.00 H new ATOM 770 N GLU A 56 42.274 14.003 25.313 1.00 20.00 N ATOM 771 CA GLU A 56 41.968 14.634 24.034 1.00 20.00 C ATOM 772 C GLU A 56 40.657 14.077 23.463 1.00 20.00 C ATOM 773 O GLU A 56 40.386 12.879 23.551 1.00 20.00 O ATOM 774 CB GLU A 56 43.152 14.409 23.085 1.00 20.00 C ATOM 775 CG GLU A 56 42.995 15.198 21.783 1.00 20.00 C ATOM 776 CD GLU A 56 44.231 15.132 20.882 1.00 20.00 C ATOM 777 OE1 GLU A 56 44.787 14.023 20.720 1.00 20.00 O ATOM 778 OE2 GLU A 56 44.593 16.200 20.344 1.00 20.00 O ATOM 0 H GLU A 56 42.179 12.988 25.282 1.00 20.00 H new ATOM 0 HA GLU A 56 41.823 15.707 24.164 1.00 20.00 H new ATOM 0 HB2 GLU A 56 44.076 14.706 23.581 1.00 20.00 H new ATOM 0 HB3 GLU A 56 43.239 13.346 22.858 1.00 20.00 H new ATOM 0 HG2 GLU A 56 42.134 14.815 21.236 1.00 20.00 H new ATOM 0 HG3 GLU A 56 42.783 16.240 22.021 1.00 20.00 H new ATOM 785 N LEU A 57 39.858 14.972 22.867 1.00 20.00 N ATOM 786 CA LEU A 57 38.500 14.748 22.391 1.00 20.00 C ATOM 787 C LEU A 57 38.304 15.350 20.993 1.00 20.00 C ATOM 788 O LEU A 57 38.445 16.556 20.805 1.00 20.00 O ATOM 789 CB LEU A 57 37.497 15.291 23.426 1.00 20.00 C ATOM 790 CG LEU A 57 37.707 16.743 23.917 1.00 20.00 C ATOM 791 CD1 LEU A 57 36.351 17.423 24.134 1.00 20.00 C ATOM 792 CD2 LEU A 57 38.492 16.801 25.234 1.00 20.00 C ATOM 0 H LEU A 57 40.168 15.929 22.697 1.00 20.00 H new ATOM 0 HA LEU A 57 38.317 13.679 22.286 1.00 20.00 H new ATOM 0 HB2 LEU A 57 36.497 15.220 22.998 1.00 20.00 H new ATOM 0 HB3 LEU A 57 37.519 14.634 24.295 1.00 20.00 H new ATOM 0 HG LEU A 57 38.281 17.258 23.147 1.00 20.00 H new ATOM 0 HD11 LEU A 57 36.508 18.445 24.480 1.00 20.00 H new ATOM 0 HD12 LEU A 57 35.797 17.438 23.195 1.00 20.00 H new ATOM 0 HD13 LEU A 57 35.782 16.870 24.882 1.00 20.00 H new ATOM 0 HD21 LEU A 57 38.615 17.840 25.539 1.00 20.00 H new ATOM 0 HD22 LEU A 57 37.947 16.258 26.006 1.00 20.00 H new ATOM 0 HD23 LEU A 57 39.473 16.346 25.093 1.00 20.00 H new ATOM 804 N GLN A 58 37.985 14.501 20.006 1.00 20.00 N ATOM 805 CA GLN A 58 37.893 14.858 18.587 1.00 20.00 C ATOM 806 C GLN A 58 36.798 15.888 18.257 1.00 20.00 C ATOM 807 O GLN A 58 36.855 16.506 17.194 1.00 20.00 O ATOM 808 CB GLN A 58 37.728 13.577 17.744 1.00 20.00 C ATOM 809 CG GLN A 58 36.415 12.819 18.010 1.00 20.00 C ATOM 810 CD GLN A 58 36.286 11.538 17.178 1.00 20.00 C ATOM 811 OE1 GLN A 58 37.243 10.785 17.010 1.00 20.00 O ATOM 812 NE2 GLN A 58 35.088 11.265 16.662 1.00 20.00 N ATOM 0 H GLN A 58 37.778 13.518 20.180 1.00 20.00 H new ATOM 0 HA GLN A 58 38.827 15.358 18.331 1.00 20.00 H new ATOM 0 HB2 GLN A 58 37.776 13.841 16.687 1.00 20.00 H new ATOM 0 HB3 GLN A 58 38.567 12.911 17.945 1.00 20.00 H new ATOM 0 HG2 GLN A 58 36.356 12.566 19.069 1.00 20.00 H new ATOM 0 HG3 GLN A 58 35.572 13.475 17.791 1.00 20.00 H new ATOM 0 HE21 GLN A 58 34.309 11.905 16.815 1.00 20.00 H new ATOM 0 HE22 GLN A 58 34.950 10.416 16.114 1.00 20.00 H new ATOM 821 N ALA A 59 35.826 16.093 19.158 1.00 20.00 N ATOM 822 CA ALA A 59 34.733 17.048 19.006 1.00 20.00 C ATOM 823 C ALA A 59 35.165 18.517 19.159 1.00 20.00 C ATOM 824 O ALA A 59 34.441 19.400 18.697 1.00 20.00 O ATOM 825 CB ALA A 59 33.666 16.709 20.051 1.00 20.00 C ATOM 0 H ALA A 59 35.783 15.579 20.038 1.00 20.00 H new ATOM 0 HA ALA A 59 34.351 16.957 17.989 1.00 20.00 H new ATOM 0 HB1 ALA A 59 32.834 17.408 19.962 1.00 20.00 H new ATOM 0 HB2 ALA A 59 33.306 15.693 19.887 1.00 20.00 H new ATOM 0 HB3 ALA A 59 34.097 16.784 21.049 1.00 20.00 H new ATOM 831 N GLU A 60 36.315 18.792 19.801 1.00 20.00 N ATOM 832 CA GLU A 60 36.731 20.141 20.204 1.00 20.00 C ATOM 833 C GLU A 60 38.227 20.382 19.971 1.00 20.00 C ATOM 834 O GLU A 60 38.618 21.481 19.577 1.00 20.00 O ATOM 835 CB GLU A 60 36.390 20.373 21.689 1.00 20.00 C ATOM 836 CG GLU A 60 34.902 20.158 22.009 1.00 20.00 C ATOM 837 CD GLU A 60 34.495 20.497 23.447 1.00 20.00 C ATOM 838 OE1 GLU A 60 35.378 20.820 24.271 1.00 20.00 O ATOM 839 OE2 GLU A 60 33.276 20.401 23.713 1.00 20.00 O ATOM 0 H GLU A 60 36.989 18.070 20.057 1.00 20.00 H new ATOM 0 HA GLU A 60 36.185 20.850 19.581 1.00 20.00 H new ATOM 0 HB2 GLU A 60 36.988 19.699 22.302 1.00 20.00 H new ATOM 0 HB3 GLU A 60 36.671 21.389 21.965 1.00 20.00 H new ATOM 0 HG2 GLU A 60 34.307 20.765 21.326 1.00 20.00 H new ATOM 0 HG3 GLU A 60 34.650 19.116 21.812 1.00 20.00 H new ATOM 846 N SER A 61 39.058 19.355 20.196 1.00 20.00 N ATOM 847 CA SER A 61 40.507 19.395 19.995 1.00 20.00 C ATOM 848 C SER A 61 40.898 19.476 18.513 1.00 20.00 C ATOM 849 O SER A 61 41.992 19.947 18.201 1.00 20.00 O ATOM 850 CB SER A 61 41.150 18.155 20.623 1.00 20.00 C ATOM 851 OG SER A 61 42.555 18.283 20.563 1.00 20.00 O ATOM 0 H SER A 61 38.728 18.450 20.532 1.00 20.00 H new ATOM 0 HA SER A 61 40.872 20.301 20.478 1.00 20.00 H new ATOM 0 HB2 SER A 61 40.826 18.047 21.658 1.00 20.00 H new ATOM 0 HB3 SER A 61 40.831 17.257 20.094 1.00 20.00 H new ATOM 0 HG SER A 61 42.898 17.772 19.800 1.00 20.00 H new ATOM 857 N ALA A 62 40.007 19.068 17.596 1.00 20.00 N ATOM 858 CA ALA A 62 40.189 19.229 16.155 1.00 20.00 C ATOM 859 C ALA A 62 40.210 20.708 15.716 1.00 20.00 C ATOM 860 O ALA A 62 40.558 20.986 14.569 1.00 20.00 O ATOM 861 CB ALA A 62 39.100 18.438 15.429 1.00 20.00 C ATOM 0 H ALA A 62 39.129 18.611 17.844 1.00 20.00 H new ATOM 0 HA ALA A 62 41.169 18.835 15.885 1.00 20.00 H new ATOM 0 HB1 ALA A 62 39.225 18.550 14.352 1.00 20.00 H new ATOM 0 HB2 ALA A 62 39.177 17.384 15.695 1.00 20.00 H new ATOM 0 HB3 ALA A 62 38.120 18.815 15.722 1.00 20.00 H new ATOM 867 N SER A 63 39.888 21.649 16.623 1.00 20.00 N ATOM 868 CA SER A 63 40.035 23.088 16.433 1.00 20.00 C ATOM 869 C SER A 63 41.296 23.646 17.120 1.00 20.00 C ATOM 870 O SER A 63 41.841 24.639 16.639 1.00 20.00 O ATOM 871 CB SER A 63 38.768 23.782 16.945 1.00 20.00 C ATOM 872 OG SER A 63 38.728 25.123 16.507 1.00 20.00 O ATOM 0 H SER A 63 39.505 21.410 17.538 1.00 20.00 H new ATOM 0 HA SER A 63 40.162 23.288 15.369 1.00 20.00 H new ATOM 0 HB2 SER A 63 37.886 23.250 16.589 1.00 20.00 H new ATOM 0 HB3 SER A 63 38.742 23.748 18.034 1.00 20.00 H new ATOM 0 HG SER A 63 37.913 25.552 16.841 1.00 20.00 H new ATOM 878 N CYS A 64 41.795 23.007 18.196 1.00 20.00 N ATOM 879 CA CYS A 64 43.080 23.352 18.814 1.00 20.00 C ATOM 880 C CYS A 64 44.240 23.039 17.860 1.00 20.00 C ATOM 881 O CYS A 64 45.130 23.875 17.696 1.00 20.00 O ATOM 882 CB CYS A 64 43.266 22.618 20.156 1.00 20.00 C ATOM 883 SG CYS A 64 42.102 23.130 21.446 1.00 20.00 S ATOM 0 H CYS A 64 41.313 22.236 18.658 1.00 20.00 H new ATOM 0 HA CYS A 64 43.079 24.423 19.015 1.00 20.00 H new ATOM 0 HB2 CYS A 64 43.159 21.546 19.990 1.00 20.00 H new ATOM 0 HB3 CYS A 64 44.283 22.785 20.512 1.00 20.00 H new ATOM 888 N GLY A 65 44.214 21.864 17.212 1.00 20.00 N ATOM 889 CA GLY A 65 45.212 21.432 16.239 1.00 20.00 C ATOM 890 C GLY A 65 46.583 21.143 16.858 1.00 20.00 C ATOM 891 O GLY A 65 46.772 21.266 18.067 1.00 20.00 O ATOM 0 H GLY A 65 43.476 21.175 17.359 1.00 20.00 H new ATOM 0 HA2 GLY A 65 44.853 20.534 15.736 1.00 20.00 H new ATOM 0 HA3 GLY A 65 45.322 22.203 15.476 1.00 20.00 H new ATOM 895 N LYS A 66 47.539 20.757 16.001 1.00 20.00 N ATOM 896 CA LYS A 66 48.897 20.353 16.362 1.00 20.00 C ATOM 897 C LYS A 66 49.582 21.367 17.291 1.00 20.00 C ATOM 898 O LYS A 66 49.498 22.579 17.086 1.00 20.00 O ATOM 899 CB LYS A 66 49.710 20.062 15.085 1.00 20.00 C ATOM 900 CG LYS A 66 49.965 21.297 14.199 1.00 20.00 C ATOM 901 CD LYS A 66 50.563 20.948 12.830 1.00 20.00 C ATOM 902 CE LYS A 66 49.525 20.268 11.929 1.00 20.00 C ATOM 903 NZ LYS A 66 50.036 20.074 10.559 1.00 20.00 N ATOM 0 H LYS A 66 47.375 20.718 14.995 1.00 20.00 H new ATOM 0 HA LYS A 66 48.842 19.432 16.942 1.00 20.00 H new ATOM 0 HB2 LYS A 66 50.669 19.630 15.370 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.184 19.310 14.497 1.00 20.00 H new ATOM 0 HG2 LYS A 66 49.026 21.831 14.052 1.00 20.00 H new ATOM 0 HG3 LYS A 66 50.640 21.976 14.720 1.00 20.00 H new ATOM 0 HD2 LYS A 66 50.929 21.855 12.348 1.00 20.00 H new ATOM 0 HD3 LYS A 66 51.421 20.289 12.962 1.00 20.00 H new ATOM 0 HE2 LYS A 66 49.250 19.303 12.355 1.00 20.00 H new ATOM 0 HE3 LYS A 66 48.619 20.873 11.897 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 49.307 19.612 9.979 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 50.275 20.997 10.144 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 50.887 19.476 10.587 1.00 20.00 H new ATOM 917 N GLY A 67 50.236 20.837 18.330 1.00 20.00 N ATOM 918 CA GLY A 67 50.894 21.577 19.403 1.00 20.00 C ATOM 919 C GLY A 67 50.058 21.653 20.687 1.00 20.00 C ATOM 920 O GLY A 67 50.636 21.726 21.771 1.00 20.00 O ATOM 0 H GLY A 67 50.323 19.828 18.448 1.00 20.00 H new ATOM 0 HA2 GLY A 67 51.850 21.105 19.628 1.00 20.00 H new ATOM 0 HA3 GLY A 67 51.111 22.588 19.058 1.00 20.00 H new ATOM 924 N GLN A 68 48.719 21.613 20.585 1.00 20.00 N ATOM 925 CA GLN A 68 47.784 21.745 21.690 1.00 20.00 C ATOM 926 C GLN A 68 46.569 20.822 21.520 1.00 20.00 C ATOM 927 O GLN A 68 46.504 20.016 20.593 1.00 20.00 O ATOM 928 CB GLN A 68 47.414 23.229 21.836 1.00 20.00 C ATOM 929 CG GLN A 68 46.961 23.917 20.544 1.00 20.00 C ATOM 930 CD GLN A 68 46.449 25.342 20.787 1.00 20.00 C ATOM 931 OE1 GLN A 68 46.908 26.038 21.690 1.00 20.00 O ATOM 932 NE2 GLN A 68 45.501 25.801 19.971 1.00 20.00 N ATOM 0 H GLN A 68 48.250 21.482 19.689 1.00 20.00 H new ATOM 0 HA GLN A 68 48.250 21.417 22.619 1.00 20.00 H new ATOM 0 HB2 GLN A 68 46.618 23.318 22.575 1.00 20.00 H new ATOM 0 HB3 GLN A 68 48.277 23.765 22.231 1.00 20.00 H new ATOM 0 HG2 GLN A 68 47.794 23.948 19.841 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.173 23.326 20.078 1.00 20.00 H new ATOM 0 HE21 GLN A 68 45.135 25.205 19.228 1.00 20.00 H new ATOM 0 HE22 GLN A 68 45.141 26.748 20.089 1.00 20.00 H new ATOM 941 N LYS A 69 45.639 20.892 22.478 1.00 20.00 N ATOM 942 CA LYS A 69 44.456 20.041 22.559 1.00 20.00 C ATOM 943 C LYS A 69 43.434 20.600 23.552 1.00 20.00 C ATOM 944 O LYS A 69 43.798 21.235 24.541 1.00 20.00 O ATOM 945 CB LYS A 69 44.847 18.606 22.982 1.00 20.00 C ATOM 946 CG LYS A 69 45.786 18.554 24.199 1.00 20.00 C ATOM 947 CD LYS A 69 45.801 17.164 24.849 1.00 20.00 C ATOM 948 CE LYS A 69 46.903 17.030 25.907 1.00 20.00 C ATOM 949 NZ LYS A 69 46.866 18.114 26.906 1.00 20.00 N ATOM 0 H LYS A 69 45.694 21.566 23.242 1.00 20.00 H new ATOM 0 HA LYS A 69 44.003 20.018 21.568 1.00 20.00 H new ATOM 0 HB2 LYS A 69 43.941 18.044 23.209 1.00 20.00 H new ATOM 0 HB3 LYS A 69 45.329 18.107 22.141 1.00 20.00 H new ATOM 0 HG2 LYS A 69 46.796 18.822 23.890 1.00 20.00 H new ATOM 0 HG3 LYS A 69 45.470 19.295 24.933 1.00 20.00 H new ATOM 0 HD2 LYS A 69 44.832 16.970 25.310 1.00 20.00 H new ATOM 0 HD3 LYS A 69 45.945 16.406 24.079 1.00 20.00 H new ATOM 0 HE2 LYS A 69 46.800 16.070 26.414 1.00 20.00 H new ATOM 0 HE3 LYS A 69 47.876 17.028 25.415 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 47.515 17.889 27.687 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 47.158 19.007 26.460 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 45.899 18.212 27.276 1.00 20.00 H new ATOM 963 N CYS A 70 42.150 20.291 23.329 1.00 20.00 N ATOM 964 CA CYS A 70 41.100 20.491 24.313 1.00 20.00 C ATOM 965 C CYS A 70 41.161 19.396 25.377 1.00 20.00 C ATOM 966 O CYS A 70 41.494 18.248 25.081 1.00 20.00 O ATOM 967 CB CYS A 70 39.737 20.474 23.613 1.00 20.00 C ATOM 968 SG CYS A 70 39.022 22.114 23.339 1.00 20.00 S ATOM 0 H CYS A 70 41.817 19.893 22.451 1.00 20.00 H new ATOM 0 HA CYS A 70 41.241 21.455 24.801 1.00 20.00 H new ATOM 0 HB2 CYS A 70 39.841 19.970 22.652 1.00 20.00 H new ATOM 0 HB3 CYS A 70 39.042 19.882 24.209 1.00 20.00 H new ATOM 973 N CYS A 71 40.773 19.768 26.601 1.00 20.00 N ATOM 974 CA CYS A 71 40.550 18.880 27.733 1.00 20.00 C ATOM 975 C CYS A 71 39.456 19.489 28.613 1.00 20.00 C ATOM 976 O CYS A 71 39.410 20.706 28.789 1.00 20.00 O ATOM 977 CB CYS A 71 41.856 18.719 28.509 1.00 20.00 C ATOM 978 SG CYS A 71 41.862 17.405 29.753 1.00 20.00 S ATOM 0 H CYS A 71 40.599 20.746 26.835 1.00 20.00 H new ATOM 0 HA CYS A 71 40.229 17.893 27.399 1.00 20.00 H new ATOM 0 HB2 CYS A 71 42.660 18.527 27.798 1.00 20.00 H new ATOM 0 HB3 CYS A 71 42.085 19.664 29.002 1.00 20.00 H new ATOM 983 N VAL A 72 38.573 18.637 29.144 1.00 20.00 N ATOM 984 CA VAL A 72 37.337 19.027 29.825 1.00 20.00 C ATOM 985 C VAL A 72 37.204 18.227 31.133 1.00 20.00 C ATOM 986 O VAL A 72 37.837 17.183 31.296 1.00 20.00 O ATOM 987 CB VAL A 72 36.135 18.818 28.862 1.00 20.00 C ATOM 988 CG1 VAL A 72 34.839 19.446 29.404 1.00 20.00 C ATOM 989 CG2 VAL A 72 36.355 19.405 27.455 1.00 20.00 C ATOM 0 H VAL A 72 38.704 17.626 29.110 1.00 20.00 H new ATOM 0 HA VAL A 72 37.355 20.083 30.094 1.00 20.00 H new ATOM 0 HB VAL A 72 36.048 17.734 28.793 1.00 20.00 H new ATOM 0 HG11 VAL A 72 34.028 19.274 28.697 1.00 20.00 H new ATOM 0 HG12 VAL A 72 34.587 18.991 30.362 1.00 20.00 H new ATOM 0 HG13 VAL A 72 34.982 20.518 29.538 1.00 20.00 H new ATOM 0 HG21 VAL A 72 35.473 19.220 26.841 1.00 20.00 H new ATOM 0 HG22 VAL A 72 36.525 20.479 27.531 1.00 20.00 H new ATOM 0 HG23 VAL A 72 37.223 18.932 26.995 1.00 20.00 H new ATOM 999 N TRP A 73 36.376 18.717 32.067 1.00 20.00 N ATOM 1000 CA TRP A 73 36.102 18.090 33.360 1.00 20.00 C ATOM 1001 C TRP A 73 34.602 17.877 33.612 1.00 20.00 C ATOM 1002 O TRP A 73 33.772 18.177 32.754 1.00 20.00 O ATOM 1003 CB TRP A 73 36.842 18.851 34.469 1.00 20.00 C ATOM 1004 CG TRP A 73 36.485 20.290 34.668 1.00 20.00 C ATOM 1005 CD1 TRP A 73 35.253 20.818 34.545 1.00 20.00 C ATOM 1006 CD2 TRP A 73 37.356 21.400 35.032 1.00 20.00 C ATOM 1007 NE1 TRP A 73 35.292 22.171 34.811 1.00 20.00 N ATOM 1008 CE2 TRP A 73 36.569 22.584 35.128 1.00 20.00 C ATOM 1009 CE3 TRP A 73 38.734 21.518 35.293 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 37.127 23.826 35.476 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 39.307 22.756 35.641 1.00 20.00 C ATOM 1012 CH2 TRP A 73 38.507 23.910 35.731 1.00 20.00 C ATOM 0 H TRP A 73 35.864 19.589 31.935 1.00 20.00 H new ATOM 0 HA TRP A 73 36.499 17.075 33.357 1.00 20.00 H new ATOM 0 HB2 TRP A 73 36.671 18.328 35.410 1.00 20.00 H new ATOM 0 HB3 TRP A 73 37.911 18.794 34.262 1.00 20.00 H new ATOM 0 HD1 TRP A 73 34.365 20.264 34.278 1.00 20.00 H new ATOM 0 HE1 TRP A 73 34.480 22.787 34.777 1.00 20.00 H new ATOM 0 HE3 TRP A 73 39.363 20.643 35.225 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 36.503 24.705 35.547 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 40.367 22.820 35.840 1.00 20.00 H new ATOM 0 HH2 TRP A 73 38.952 24.858 35.995 1.00 20.00 H new ATOM 1023 N LEU A 74 34.266 17.340 34.794 1.00 20.00 N ATOM 1024 CA LEU A 74 32.903 16.979 35.195 1.00 20.00 C ATOM 1025 C LEU A 74 32.455 17.689 36.483 1.00 20.00 C ATOM 1026 O LEU A 74 31.266 17.660 36.806 1.00 20.00 O ATOM 1027 CB LEU A 74 32.779 15.455 35.378 1.00 20.00 C ATOM 1028 CG LEU A 74 32.955 14.620 34.092 1.00 20.00 C ATOM 1029 CD1 LEU A 74 34.413 14.198 33.854 1.00 20.00 C ATOM 1030 CD2 LEU A 74 32.110 13.345 34.197 1.00 20.00 C ATOM 0 H LEU A 74 34.957 17.140 35.517 1.00 20.00 H new ATOM 0 HA LEU A 74 32.246 17.311 34.391 1.00 20.00 H new ATOM 0 HB2 LEU A 74 33.523 15.131 36.106 1.00 20.00 H new ATOM 0 HB3 LEU A 74 31.800 15.235 35.803 1.00 20.00 H new ATOM 0 HG LEU A 74 32.639 15.250 33.260 1.00 20.00 H new ATOM 0 HD11 LEU A 74 34.477 13.614 32.936 1.00 20.00 H new ATOM 0 HD12 LEU A 74 35.039 15.086 33.763 1.00 20.00 H new ATOM 0 HD13 LEU A 74 34.759 13.595 34.693 1.00 20.00 H new ATOM 0 HD21 LEU A 74 32.232 12.752 33.290 1.00 20.00 H new ATOM 0 HD22 LEU A 74 32.436 12.762 35.058 1.00 20.00 H new ATOM 0 HD23 LEU A 74 31.060 13.613 34.317 1.00 20.00 H new ATOM 1042 N HIS A 75 33.382 18.342 37.198 1.00 20.00 N ATOM 1043 CA HIS A 75 33.148 18.993 38.484 1.00 20.00 C ATOM 1044 C HIS A 75 33.458 20.488 38.378 1.00 20.00 C ATOM 1045 O HIS A 75 34.636 20.836 38.147 1.00 20.00 O ATOM 1046 CB HIS A 75 33.969 18.279 39.569 1.00 20.00 C ATOM 1047 CG HIS A 75 33.677 18.705 40.989 1.00 20.00 C ATOM 1048 ND1 HIS A 75 34.438 18.362 42.090 1.00 20.00 N ATOM 1049 CD2 HIS A 75 32.597 19.424 41.429 1.00 20.00 C ATOM 1050 CE1 HIS A 75 33.826 18.867 43.179 1.00 20.00 C ATOM 1051 NE2 HIS A 75 32.711 19.517 42.802 1.00 20.00 N ATOM 1052 OXT HIS A 75 32.494 21.273 38.510 1.00 20.00 O ATOM 0 H HIS A 75 34.347 18.432 36.881 1.00 20.00 H new ATOM 0 HA HIS A 75 32.099 18.915 38.769 1.00 20.00 H new ATOM 0 HB2 HIS A 75 33.794 17.206 39.486 1.00 20.00 H new ATOM 0 HB3 HIS A 75 35.027 18.445 39.368 1.00 20.00 H new ATOM 0 HD2 HIS A 75 31.808 19.838 40.819 1.00 20.00 H new ATOM 0 HE1 HIS A 75 34.176 18.766 44.196 1.00 20.00 H new ATOM 0 HE2 HIS A 75 32.060 19.997 43.424 1.00 20.00 H new TER 1061 HIS A 75