USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 515 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 26 CYS SG : rot 91:sc= -1.31 USER MOD Set 1.2: A 28 CYS SG : rot 108:sc= 2.86 USER MOD Set 1.3: A 53 CYS SG : rot 126:sc= -1.71 USER MOD Set 1.4: A 58 CYS SG : rot 97:sc= 0.226 USER MOD Set 2.1: A 8 CYS SG : rot -145:sc= 0.113 USER MOD Set 2.2: A 11 CYS SG : rot -131:sc= -0.0878 USER MOD Set 2.3: A 15 TYR OH : rot 180:sc= -0.648 USER MOD Set 2.4: A 31 CYS SG : rot -44:sc= 0.161 USER MOD Set 2.5: A 34 CYS SG : rot 67:sc= 0.805 USER MOD Single : A 7 SER OG : rot 150:sc= -0.107 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.252 (180deg=-1.07!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.327 F(o=-2,f=-0.33) USER MOD Single : A 20 MET CE :methyl -116:sc= -1.47 (180deg=-6.82!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.99! C(o=-3!,f=-2.7!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00896 X(o=-0.009,f=0) USER MOD Single : A 38 TYR OH : rot -103:sc= -2.26! USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 0.179 (180deg=-1.59) USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.909 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.82) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.5! C(o=-3.2!,f=-2.5!) USER MOD Single : A 65 GLN :FLIP amide:sc= -9.94! C(o=-16!,f=-9.9!) USER MOD Single : A 67 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.225 -6.006 0.927 1.00 0.00 N ATOM 92 CA SER A 7 -14.333 -4.552 0.977 1.00 0.00 C ATOM 93 C SER A 7 -13.127 -3.895 0.312 1.00 0.00 C ATOM 94 O SER A 7 -13.239 -3.314 -0.768 1.00 0.00 O ATOM 95 CB SER A 7 -14.450 -4.078 2.426 1.00 0.00 C ATOM 96 OG SER A 7 -15.490 -3.125 2.569 1.00 0.00 O ATOM 0 HA SER A 7 -15.231 -4.260 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.642 -4.931 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.505 -3.640 2.746 1.00 0.00 H new ATOM 0 HG SER A 7 -15.870 -3.188 3.470 1.00 0.00 H new ATOM 102 N CYS A 8 -11.974 -3.991 0.963 1.00 0.00 N ATOM 103 CA CYS A 8 -10.746 -3.406 0.438 1.00 0.00 C ATOM 104 C CYS A 8 -10.579 -3.732 -1.043 1.00 0.00 C ATOM 105 O CYS A 8 -11.131 -4.715 -1.540 1.00 0.00 O ATOM 106 CB CYS A 8 -9.536 -3.916 1.224 1.00 0.00 C ATOM 107 SG CYS A 8 -8.009 -2.965 0.938 1.00 0.00 S ATOM 0 H CYS A 8 -11.864 -4.469 1.857 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.812 -2.324 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.772 -3.893 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.357 -4.958 0.959 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.986 -3.767 0.966 1.00 0.00 H new ATOM 112 N LYS A 9 -9.814 -2.902 -1.743 1.00 0.00 N ATOM 113 CA LYS A 9 -9.572 -3.101 -3.167 1.00 0.00 C ATOM 114 C LYS A 9 -8.075 -3.140 -3.464 1.00 0.00 C ATOM 115 O LYS A 9 -7.648 -2.861 -4.585 1.00 0.00 O ATOM 116 CB LYS A 9 -10.235 -1.988 -3.980 1.00 0.00 C ATOM 117 CG LYS A 9 -11.722 -1.840 -3.707 1.00 0.00 C ATOM 118 CD LYS A 9 -12.217 -0.447 -4.058 1.00 0.00 C ATOM 119 CE LYS A 9 -12.581 0.346 -2.811 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.552 -0.386 -1.952 1.00 0.00 N ATOM 0 H LYS A 9 -9.350 -2.084 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.007 -4.059 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.738 -1.043 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.087 -2.187 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.275 -2.580 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.922 -2.044 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.446 0.084 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.088 -0.522 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.678 0.558 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.006 1.306 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.158 0.297 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.142 -1.004 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.035 -0.962 -1.257 1.00 0.00 H new ATOM 134 N LEU A 10 -7.286 -3.488 -2.455 1.00 0.00 N ATOM 135 CA LEU A 10 -5.837 -3.563 -2.608 1.00 0.00 C ATOM 136 C LEU A 10 -5.327 -4.962 -2.276 1.00 0.00 C ATOM 137 O LEU A 10 -4.181 -5.304 -2.573 1.00 0.00 O ATOM 138 CB LEU A 10 -5.154 -2.533 -1.708 1.00 0.00 C ATOM 139 CG LEU A 10 -5.367 -1.066 -2.085 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.167 -0.169 -0.874 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.427 -0.663 -3.212 1.00 0.00 C ATOM 0 H LEU A 10 -7.624 -3.723 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.595 -3.344 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.508 -2.680 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.083 -2.735 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.393 -0.946 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.323 0.871 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.882 -0.441 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.153 -0.292 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.593 0.384 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.394 -0.799 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.620 -1.284 -4.086 1.00 0.00 H new ATOM 153 N CYS A 11 -6.185 -5.770 -1.662 1.00 0.00 N ATOM 154 CA CYS A 11 -5.824 -7.133 -1.292 1.00 0.00 C ATOM 155 C CYS A 11 -7.002 -8.082 -1.494 1.00 0.00 C ATOM 156 O CYS A 11 -6.823 -9.233 -1.892 1.00 0.00 O ATOM 157 CB CYS A 11 -5.360 -7.180 0.166 1.00 0.00 C ATOM 158 SG CYS A 11 -6.623 -6.653 1.367 1.00 0.00 S ATOM 0 H CYS A 11 -7.137 -5.504 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.007 -7.455 -1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.050 -8.197 0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.481 -6.545 0.277 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.104 -5.795 2.194 1.00 0.00 H new ATOM 163 N LEU A 12 -8.204 -7.591 -1.215 1.00 0.00 N ATOM 164 CA LEU A 12 -9.412 -8.394 -1.367 1.00 0.00 C ATOM 165 C LEU A 12 -9.367 -9.621 -0.461 1.00 0.00 C ATOM 166 O LEU A 12 -9.467 -10.754 -0.930 1.00 0.00 O ATOM 167 CB LEU A 12 -9.581 -8.828 -2.824 1.00 0.00 C ATOM 168 CG LEU A 12 -10.077 -7.752 -3.791 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.717 -8.113 -5.223 1.00 0.00 C ATOM 170 CD2 LEU A 12 -11.581 -7.561 -3.649 1.00 0.00 C ATOM 0 H LEU A 12 -8.368 -6.641 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.265 -7.781 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.622 -9.199 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.278 -9.665 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.585 -6.812 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.078 -7.335 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.634 -8.199 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.180 -9.064 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.917 -6.792 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.090 -8.499 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.814 -7.255 -2.629 1.00 0.00 H new ATOM 182 N GLY A 13 -9.217 -9.386 0.838 1.00 0.00 N ATOM 183 CA GLY A 13 -9.163 -10.482 1.789 1.00 0.00 C ATOM 184 C GLY A 13 -10.435 -10.605 2.603 1.00 0.00 C ATOM 185 O GLY A 13 -10.676 -11.632 3.238 1.00 0.00 O ATOM 0 H GLY A 13 -9.132 -8.457 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.986 -11.415 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.318 -10.335 2.461 1.00 0.00 H new ATOM 189 N GLU A 14 -11.251 -9.556 2.588 1.00 0.00 N ATOM 190 CA GLU A 14 -12.504 -9.551 3.333 1.00 0.00 C ATOM 191 C GLU A 14 -12.267 -9.175 4.793 1.00 0.00 C ATOM 192 O GLU A 14 -11.572 -9.882 5.522 1.00 0.00 O ATOM 193 CB GLU A 14 -13.176 -10.923 3.251 1.00 0.00 C ATOM 194 CG GLU A 14 -13.033 -11.591 1.894 1.00 0.00 C ATOM 195 CD GLU A 14 -12.440 -12.984 1.989 1.00 0.00 C ATOM 196 OE1 GLU A 14 -11.324 -13.191 1.467 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.092 -13.867 2.586 1.00 0.00 O ATOM 0 H GLU A 14 -11.067 -8.698 2.068 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.161 -8.805 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.748 -11.574 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.235 -10.814 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.011 -11.648 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.402 -10.974 1.254 1.00 0.00 H new ATOM 204 N TYR A 15 -12.851 -8.058 5.211 1.00 0.00 N ATOM 205 CA TYR A 15 -12.702 -7.586 6.583 1.00 0.00 C ATOM 206 C TYR A 15 -13.860 -6.671 6.973 1.00 0.00 C ATOM 207 O TYR A 15 -14.460 -5.996 6.137 1.00 0.00 O ATOM 208 CB TYR A 15 -11.374 -6.845 6.748 1.00 0.00 C ATOM 209 CG TYR A 15 -10.217 -7.512 6.041 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.920 -7.212 4.716 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.419 -8.443 6.696 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.863 -7.820 4.066 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.361 -9.054 6.053 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.086 -8.740 4.738 1.00 0.00 C ATOM 215 OH TYR A 15 -7.033 -9.348 4.096 1.00 0.00 O ATOM 0 H TYR A 15 -13.432 -7.463 4.620 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.710 -8.454 7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.485 -5.829 6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.142 -6.764 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.526 -6.492 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.630 -8.693 7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.646 -7.576 3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.751 -9.775 6.577 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.589 -9.968 4.711 1.00 0.00 H new ATOM 225 N PRO A 16 -14.179 -6.647 8.276 1.00 0.00 N ATOM 226 CA PRO A 16 -15.265 -5.819 8.809 1.00 0.00 C ATOM 227 C PRO A 16 -14.937 -4.331 8.761 1.00 0.00 C ATOM 228 O PRO A 16 -13.770 -3.945 8.689 1.00 0.00 O ATOM 229 CB PRO A 16 -15.394 -6.293 10.258 1.00 0.00 C ATOM 230 CG PRO A 16 -14.049 -6.836 10.600 1.00 0.00 C ATOM 231 CD PRO A 16 -13.506 -7.425 9.328 1.00 0.00 C ATOM 0 HA PRO A 16 -16.181 -5.926 8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.670 -5.472 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.166 -7.056 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.395 -6.050 10.977 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.121 -7.593 11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.422 -7.325 9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.733 -8.488 9.249 1.00 0.00 H new ATOM 239 N VAL A 17 -15.973 -3.499 8.802 1.00 0.00 N ATOM 240 CA VAL A 17 -15.795 -2.053 8.766 1.00 0.00 C ATOM 241 C VAL A 17 -15.016 -1.564 9.981 1.00 0.00 C ATOM 242 O VAL A 17 -14.647 -0.394 10.064 1.00 0.00 O ATOM 243 CB VAL A 17 -17.148 -1.321 8.709 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.536 -0.806 10.085 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.096 -0.184 7.700 1.00 0.00 C ATOM 0 H VAL A 17 -16.945 -3.803 8.860 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.230 -1.827 7.861 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.911 -2.029 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.495 -0.292 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.617 -1.644 10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.775 -0.113 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.061 0.323 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.322 0.526 7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.868 -0.584 6.712 1.00 0.00 H new ATOM 255 N GLU A 18 -14.771 -2.471 10.923 1.00 0.00 N ATOM 256 CA GLU A 18 -14.035 -2.130 12.136 1.00 0.00 C ATOM 257 C GLU A 18 -12.561 -2.500 12.000 1.00 0.00 C ATOM 258 O GLU A 18 -11.778 -2.316 12.932 1.00 0.00 O ATOM 259 CB GLU A 18 -14.643 -2.847 13.345 1.00 0.00 C ATOM 260 CG GLU A 18 -14.067 -4.232 13.583 1.00 0.00 C ATOM 261 CD GLU A 18 -13.146 -4.282 14.787 1.00 0.00 C ATOM 262 OE1 GLU A 18 -11.924 -4.453 14.591 1.00 0.00 O ATOM 263 OE2 GLU A 18 -13.647 -4.149 15.923 1.00 0.00 O ATOM 0 H GLU A 18 -15.070 -3.445 10.870 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.109 -1.053 12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.484 -2.239 14.235 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.721 -2.930 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.883 -4.941 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.518 -4.550 12.697 1.00 0.00 H new ATOM 270 N GLN A 19 -12.193 -3.021 10.834 1.00 0.00 N ATOM 271 CA GLN A 19 -10.814 -3.418 10.578 1.00 0.00 C ATOM 272 C GLN A 19 -10.209 -2.587 9.451 1.00 0.00 C ATOM 273 O GLN A 19 -9.103 -2.863 8.987 1.00 0.00 O ATOM 274 CB GLN A 19 -10.745 -4.904 10.225 1.00 0.00 C ATOM 275 CG GLN A 19 -10.385 -5.794 11.404 1.00 0.00 C ATOM 276 CD GLN A 19 -10.061 -7.214 10.986 1.00 0.00 C ATOM 277 OE1 GLN A 19 -11.053 -8.094 11.057 1.00 0.00 O flip ATOM 278 NE2 GLN A 19 -8.931 -7.519 10.603 1.00 0.00 N flip ATOM 0 H GLN A 19 -12.830 -3.178 10.053 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.237 -3.241 11.486 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.708 -5.219 9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.009 -5.047 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.528 -5.369 11.927 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.215 -5.808 12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.198 -6.811 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.729 -8.479 10.325 1.00 0.00 H new ATOM 287 N MET A 20 -10.943 -1.568 9.014 1.00 0.00 N ATOM 288 CA MET A 20 -10.478 -0.697 7.941 1.00 0.00 C ATOM 289 C MET A 20 -10.324 0.738 8.434 1.00 0.00 C ATOM 290 O MET A 20 -10.662 1.053 9.577 1.00 0.00 O ATOM 291 CB MET A 20 -11.451 -0.741 6.761 1.00 0.00 C ATOM 292 CG MET A 20 -12.221 -2.049 6.657 1.00 0.00 C ATOM 293 SD MET A 20 -12.357 -2.641 4.960 1.00 0.00 S ATOM 294 CE MET A 20 -10.666 -3.129 4.634 1.00 0.00 C ATOM 0 H MET A 20 -11.861 -1.326 9.386 1.00 0.00 H new ATOM 0 HA MET A 20 -9.503 -1.057 7.612 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.160 0.082 6.854 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.896 -0.581 5.837 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.726 -2.807 7.264 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.220 -1.912 7.071 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.254 -2.506 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.071 -3.005 5.539 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.642 -4.174 4.324 1.00 0.00 H new ATOM 304 N THR A 21 -9.814 1.607 7.567 1.00 0.00 N ATOM 305 CA THR A 21 -9.615 3.008 7.915 1.00 0.00 C ATOM 306 C THR A 21 -10.096 3.925 6.797 1.00 0.00 C ATOM 307 O THR A 21 -9.852 3.667 5.618 1.00 0.00 O ATOM 308 CB THR A 21 -8.133 3.308 8.208 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.843 3.044 9.585 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.800 4.756 7.883 1.00 0.00 C ATOM 0 H THR A 21 -9.531 1.364 6.618 1.00 0.00 H new ATOM 0 HA THR A 21 -10.201 3.198 8.814 1.00 0.00 H new ATOM 0 HB THR A 21 -7.522 2.661 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.899 3.235 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.748 4.945 8.098 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.994 4.946 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.418 5.417 8.490 1.00 0.00 H new ATOM 318 N THR A 22 -10.780 5.001 7.174 1.00 0.00 N ATOM 319 CA THR A 22 -11.297 5.957 6.203 1.00 0.00 C ATOM 320 C THR A 22 -10.164 6.723 5.529 1.00 0.00 C ATOM 321 O THR A 22 -9.108 6.938 6.125 1.00 0.00 O ATOM 322 CB THR A 22 -12.259 6.963 6.862 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.531 6.346 7.094 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.440 8.194 5.987 1.00 0.00 C ATOM 0 H THR A 22 -10.989 5.232 8.145 1.00 0.00 H new ATOM 0 HA THR A 22 -11.841 5.383 5.453 1.00 0.00 H new ATOM 0 HB THR A 22 -11.827 7.274 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.136 6.992 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.124 8.889 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.475 8.679 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.851 7.897 5.022 1.00 0.00 H new ATOM 332 N ILE A 23 -10.390 7.132 4.285 1.00 0.00 N ATOM 333 CA ILE A 23 -9.388 7.875 3.532 1.00 0.00 C ATOM 334 C ILE A 23 -9.164 9.260 4.131 1.00 0.00 C ATOM 335 O ILE A 23 -8.340 9.434 5.029 1.00 0.00 O ATOM 336 CB ILE A 23 -9.791 8.027 2.054 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.663 6.686 1.327 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.936 9.087 1.376 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.329 6.007 1.544 1.00 0.00 C ATOM 0 H ILE A 23 -11.258 6.961 3.778 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.462 7.302 3.590 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.832 8.346 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.459 6.022 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.811 6.845 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.234 9.182 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.074 10.043 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.887 8.797 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.309 5.063 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.529 6.652 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.187 5.816 2.608 1.00 0.00 H new ATOM 351 N ALA A 24 -9.906 10.242 3.630 1.00 0.00 N ATOM 352 CA ALA A 24 -9.793 11.610 4.118 1.00 0.00 C ATOM 353 C ALA A 24 -10.553 12.579 3.219 1.00 0.00 C ATOM 354 O ALA A 24 -11.335 13.399 3.697 1.00 0.00 O ATOM 355 CB ALA A 24 -8.329 12.016 4.215 1.00 0.00 C ATOM 0 H ALA A 24 -10.592 10.115 2.886 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.238 11.652 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.259 13.040 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.811 11.348 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.867 11.950 3.230 1.00 0.00 H new ATOM 361 N GLN A 25 -10.318 12.478 1.915 1.00 0.00 N ATOM 362 CA GLN A 25 -10.980 13.347 0.949 1.00 0.00 C ATOM 363 C GLN A 25 -12.178 12.645 0.319 1.00 0.00 C ATOM 364 O GLN A 25 -13.281 13.193 0.278 1.00 0.00 O ATOM 365 CB GLN A 25 -9.996 13.779 -0.140 1.00 0.00 C ATOM 366 CG GLN A 25 -9.599 15.243 -0.054 1.00 0.00 C ATOM 367 CD GLN A 25 -8.762 15.691 -1.237 1.00 0.00 C ATOM 368 OE1 GLN A 25 -9.128 15.468 -2.391 1.00 0.00 O ATOM 369 NE2 GLN A 25 -7.631 16.327 -0.955 1.00 0.00 N ATOM 0 H GLN A 25 -9.674 11.803 1.503 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.336 14.231 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.099 13.163 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.441 13.588 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.498 15.857 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.040 15.410 0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.366 16.490 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.027 16.652 -1.710 1.00 0.00 H new ATOM 378 N CYS A 26 -11.957 11.431 -0.171 1.00 0.00 N ATOM 379 CA CYS A 26 -13.017 10.653 -0.801 1.00 0.00 C ATOM 380 C CYS A 26 -13.818 9.880 0.243 1.00 0.00 C ATOM 381 O CYS A 26 -15.038 9.757 0.137 1.00 0.00 O ATOM 382 CB CYS A 26 -12.428 9.685 -1.828 1.00 0.00 C ATOM 383 SG CYS A 26 -11.314 8.433 -1.116 1.00 0.00 S ATOM 0 H CYS A 26 -11.051 10.963 -0.144 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.688 11.345 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.244 9.179 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.882 10.256 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.998 7.374 -0.797 1.00 0.00 H new ATOM 388 N GLN A 27 -13.122 9.363 1.250 1.00 0.00 N ATOM 389 CA GLN A 27 -13.768 8.601 2.313 1.00 0.00 C ATOM 390 C GLN A 27 -13.981 7.152 1.892 1.00 0.00 C ATOM 391 O GLN A 27 -15.056 6.587 2.093 1.00 0.00 O ATOM 392 CB GLN A 27 -15.108 9.239 2.683 1.00 0.00 C ATOM 393 CG GLN A 27 -15.089 10.758 2.653 1.00 0.00 C ATOM 394 CD GLN A 27 -15.334 11.373 4.016 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.475 11.469 4.471 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.263 11.795 4.677 1.00 0.00 N ATOM 0 H GLN A 27 -12.112 9.458 1.353 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.114 8.614 3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.874 8.880 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.395 8.907 3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.125 11.098 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.849 11.113 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.336 11.696 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.367 12.218 5.599 1.00 0.00 H new ATOM 405 N CYS A 28 -12.949 6.553 1.305 1.00 0.00 N ATOM 406 CA CYS A 28 -13.022 5.169 0.855 1.00 0.00 C ATOM 407 C CYS A 28 -12.680 4.209 1.990 1.00 0.00 C ATOM 408 O CYS A 28 -12.413 4.632 3.115 1.00 0.00 O ATOM 409 CB CYS A 28 -12.071 4.944 -0.323 1.00 0.00 C ATOM 410 SG CYS A 28 -12.662 5.639 -1.900 1.00 0.00 S ATOM 0 H CYS A 28 -12.052 7.006 1.130 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.044 4.971 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.103 5.385 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.911 3.873 -0.448 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.955 6.687 -2.205 1.00 0.00 H new ATOM 415 N ILE A 29 -12.690 2.915 1.686 1.00 0.00 N ATOM 416 CA ILE A 29 -12.380 1.894 2.680 1.00 0.00 C ATOM 417 C ILE A 29 -11.151 1.086 2.274 1.00 0.00 C ATOM 418 O ILE A 29 -11.086 0.551 1.167 1.00 0.00 O ATOM 419 CB ILE A 29 -13.566 0.934 2.890 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.675 0.540 4.364 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.409 -0.300 2.016 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.813 -0.415 4.651 1.00 0.00 C ATOM 0 H ILE A 29 -12.909 2.549 0.760 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.176 2.416 3.615 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.485 1.445 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.738 0.081 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.807 1.441 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.255 -0.969 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.375 -0.002 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.485 -0.815 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.830 -0.651 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.758 0.049 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.672 -1.332 4.078 1.00 0.00 H new ATOM 434 N PHE A 30 -10.181 1.003 3.177 1.00 0.00 N ATOM 435 CA PHE A 30 -8.954 0.258 2.914 1.00 0.00 C ATOM 436 C PHE A 30 -8.338 -0.252 4.213 1.00 0.00 C ATOM 437 O PHE A 30 -8.189 0.497 5.180 1.00 0.00 O ATOM 438 CB PHE A 30 -7.949 1.139 2.171 1.00 0.00 C ATOM 439 CG PHE A 30 -8.416 1.565 0.808 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.863 2.858 0.588 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.411 0.672 -0.251 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.293 3.253 -0.665 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.840 1.062 -1.506 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.282 2.354 -1.713 1.00 0.00 C ATOM 0 H PHE A 30 -10.219 1.442 4.097 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.205 -0.600 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.744 2.027 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.008 0.598 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.876 3.565 1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.068 -0.340 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.637 4.264 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.830 0.357 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.618 2.661 -2.692 1.00 0.00 H new ATOM 454 N CYS A 31 -7.982 -1.531 4.230 1.00 0.00 N ATOM 455 CA CYS A 31 -7.382 -2.143 5.409 1.00 0.00 C ATOM 456 C CYS A 31 -6.041 -1.493 5.738 1.00 0.00 C ATOM 457 O CYS A 31 -5.179 -1.348 4.871 1.00 0.00 O ATOM 458 CB CYS A 31 -7.192 -3.646 5.188 1.00 0.00 C ATOM 459 SG CYS A 31 -5.804 -4.066 4.087 1.00 0.00 S ATOM 0 H CYS A 31 -8.099 -2.165 3.440 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.057 -1.988 6.251 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.034 -4.127 6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.110 -4.060 4.771 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.812 -3.273 3.057 1.00 0.00 H new ATOM 464 N THR A 32 -5.872 -1.103 6.997 1.00 0.00 N ATOM 465 CA THR A 32 -4.638 -0.467 7.441 1.00 0.00 C ATOM 466 C THR A 32 -3.432 -1.032 6.700 1.00 0.00 C ATOM 467 O THR A 32 -2.611 -0.283 6.167 1.00 0.00 O ATOM 468 CB THR A 32 -4.426 -0.649 8.956 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.653 -0.410 9.654 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.352 0.298 9.470 1.00 0.00 C ATOM 0 H THR A 32 -6.575 -1.216 7.728 1.00 0.00 H new ATOM 0 HA THR A 32 -4.733 0.596 7.220 1.00 0.00 H new ATOM 0 HB THR A 32 -4.100 -1.674 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.511 -0.529 10.616 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.220 0.151 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.412 0.094 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.654 1.328 9.279 1.00 0.00 H new ATOM 478 N LEU A 33 -3.328 -2.356 6.669 1.00 0.00 N ATOM 479 CA LEU A 33 -2.221 -3.022 5.992 1.00 0.00 C ATOM 480 C LEU A 33 -1.874 -2.311 4.686 1.00 0.00 C ATOM 481 O LEU A 33 -0.812 -1.703 4.562 1.00 0.00 O ATOM 482 CB LEU A 33 -2.573 -4.484 5.712 1.00 0.00 C ATOM 483 CG LEU A 33 -2.110 -5.498 6.758 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.154 -6.588 6.942 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.771 -6.101 6.360 1.00 0.00 C ATOM 0 H LEU A 33 -3.997 -2.990 7.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.351 -2.984 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.656 -4.563 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.143 -4.763 4.750 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.984 -4.980 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.808 -7.301 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.092 -6.142 7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.312 -7.104 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.457 -6.821 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.870 -6.605 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.025 -5.310 6.280 1.00 0.00 H new ATOM 497 N CYS A 34 -2.780 -2.391 3.717 1.00 0.00 N ATOM 498 CA CYS A 34 -2.573 -1.755 2.422 1.00 0.00 C ATOM 499 C CYS A 34 -2.429 -0.243 2.575 1.00 0.00 C ATOM 500 O CYS A 34 -1.379 0.326 2.276 1.00 0.00 O ATOM 501 CB CYS A 34 -3.735 -2.076 1.481 1.00 0.00 C ATOM 502 SG CYS A 34 -4.132 -3.850 1.367 1.00 0.00 S ATOM 0 H CYS A 34 -3.665 -2.890 3.805 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.650 -2.148 1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.621 -1.537 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.495 -1.704 0.485 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.589 -4.267 2.510 1.00 0.00 H new ATOM 507 N LEU A 35 -3.493 0.401 3.044 1.00 0.00 N ATOM 508 CA LEU A 35 -3.487 1.847 3.238 1.00 0.00 C ATOM 509 C LEU A 35 -2.227 2.292 3.974 1.00 0.00 C ATOM 510 O LEU A 35 -1.845 3.462 3.923 1.00 0.00 O ATOM 511 CB LEU A 35 -4.728 2.282 4.019 1.00 0.00 C ATOM 512 CG LEU A 35 -5.078 3.769 3.949 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.172 4.228 2.503 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.380 4.044 4.685 1.00 0.00 C ATOM 0 H LEU A 35 -4.370 -0.055 3.297 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.499 2.321 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.581 1.711 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.588 2.011 5.065 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.283 4.334 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.422 5.289 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.215 4.067 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.947 3.658 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.614 5.107 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.185 3.469 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.275 3.754 5.730 1.00 0.00 H new ATOM 526 N LYS A 36 -1.584 1.352 4.658 1.00 0.00 N ATOM 527 CA LYS A 36 -0.366 1.645 5.403 1.00 0.00 C ATOM 528 C LYS A 36 0.869 1.427 4.534 1.00 0.00 C ATOM 529 O LYS A 36 1.535 2.381 4.136 1.00 0.00 O ATOM 530 CB LYS A 36 -0.284 0.767 6.654 1.00 0.00 C ATOM 531 CG LYS A 36 1.019 0.921 7.421 1.00 0.00 C ATOM 532 CD LYS A 36 1.701 -0.420 7.635 1.00 0.00 C ATOM 533 CE LYS A 36 2.668 -0.372 8.808 1.00 0.00 C ATOM 534 NZ LYS A 36 2.577 -1.596 9.651 1.00 0.00 N ATOM 0 H LYS A 36 -1.887 0.379 4.712 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.397 2.692 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.116 1.012 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.404 -0.277 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.687 1.587 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.821 1.388 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.948 -1.188 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.238 -0.705 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.686 -0.263 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.456 0.506 9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.251 -1.525 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.612 -1.687 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.804 -2.432 9.075 1.00 0.00 H new ATOM 548 N GLN A 37 1.167 0.164 4.244 1.00 0.00 N ATOM 549 CA GLN A 37 2.321 -0.178 3.422 1.00 0.00 C ATOM 550 C GLN A 37 2.409 0.732 2.201 1.00 0.00 C ATOM 551 O GLN A 37 3.476 0.888 1.607 1.00 0.00 O ATOM 552 CB GLN A 37 2.242 -1.641 2.978 1.00 0.00 C ATOM 553 CG GLN A 37 3.446 -2.469 3.396 1.00 0.00 C ATOM 554 CD GLN A 37 3.113 -3.473 4.483 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.580 -3.355 5.616 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.304 -4.469 4.143 1.00 0.00 N ATOM 0 H GLN A 37 0.625 -0.638 4.566 1.00 0.00 H new ATOM 0 HA GLN A 37 3.219 -0.036 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.340 -2.090 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.145 -1.678 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.839 -2.997 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.235 -1.805 3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.940 -4.528 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.047 -5.175 4.833 1.00 0.00 H new ATOM 565 N TYR A 38 1.281 1.329 1.832 1.00 0.00 N ATOM 566 CA TYR A 38 1.231 2.221 0.680 1.00 0.00 C ATOM 567 C TYR A 38 1.708 3.621 1.054 1.00 0.00 C ATOM 568 O TYR A 38 2.646 4.150 0.459 1.00 0.00 O ATOM 569 CB TYR A 38 -0.193 2.288 0.123 1.00 0.00 C ATOM 570 CG TYR A 38 -0.610 3.675 -0.308 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.779 4.251 0.173 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.165 4.411 -1.196 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.165 5.519 -0.218 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.213 5.680 -1.592 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.378 6.229 -1.101 1.00 0.00 C ATOM 576 OH TYR A 38 -1.758 7.492 -1.494 1.00 0.00 O ATOM 0 H TYR A 38 0.390 1.211 2.314 1.00 0.00 H new ATOM 0 HA TYR A 38 1.896 1.822 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.273 1.613 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.888 1.928 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.397 3.698 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.078 3.984 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.077 5.952 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.401 6.239 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.130 7.455 -2.400 1.00 0.00 H new ATOM 586 N VAL A 39 1.055 4.216 2.048 1.00 0.00 N ATOM 587 CA VAL A 39 1.412 5.554 2.505 1.00 0.00 C ATOM 588 C VAL A 39 2.707 5.532 3.310 1.00 0.00 C ATOM 589 O VAL A 39 3.633 6.294 3.034 1.00 0.00 O ATOM 590 CB VAL A 39 0.295 6.170 3.366 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.011 6.223 2.590 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.125 5.385 4.658 1.00 0.00 C ATOM 0 H VAL A 39 0.276 3.792 2.552 1.00 0.00 H new ATOM 0 HA VAL A 39 1.552 6.166 1.614 1.00 0.00 H new ATOM 0 HB VAL A 39 0.579 7.191 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.788 6.662 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.878 6.832 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.304 5.214 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.669 5.834 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.136 4.353 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.058 5.405 5.221 1.00 0.00 H new ATOM 602 N GLU A 40 2.763 4.654 4.306 1.00 0.00 N ATOM 603 CA GLU A 40 3.944 4.533 5.152 1.00 0.00 C ATOM 604 C GLU A 40 5.218 4.769 4.344 1.00 0.00 C ATOM 605 O GLU A 40 6.213 5.276 4.866 1.00 0.00 O ATOM 606 CB GLU A 40 3.992 3.151 5.807 1.00 0.00 C ATOM 607 CG GLU A 40 4.587 3.161 7.205 1.00 0.00 C ATOM 608 CD GLU A 40 5.998 2.607 7.242 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.783 3.042 8.111 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.318 1.740 6.403 1.00 0.00 O ATOM 0 H GLU A 40 2.004 4.016 4.547 1.00 0.00 H new ATOM 0 HA GLU A 40 3.881 5.293 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.981 2.745 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.576 2.480 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.591 4.182 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.953 2.575 7.870 1.00 0.00 H new ATOM 617 N LEU A 41 5.180 4.397 3.070 1.00 0.00 N ATOM 618 CA LEU A 41 6.331 4.567 2.189 1.00 0.00 C ATOM 619 C LEU A 41 6.404 5.993 1.657 1.00 0.00 C ATOM 620 O LEU A 41 7.470 6.609 1.644 1.00 0.00 O ATOM 621 CB LEU A 41 6.255 3.578 1.023 1.00 0.00 C ATOM 622 CG LEU A 41 7.350 2.512 0.975 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.551 1.891 2.347 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.009 1.444 -0.053 1.00 0.00 C ATOM 0 H LEU A 41 4.365 3.976 2.623 1.00 0.00 H new ATOM 0 HA LEU A 41 7.233 4.369 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.288 3.076 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.284 4.143 0.091 1.00 0.00 H new ATOM 0 HG LEU A 41 8.283 2.990 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.334 1.135 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.842 2.665 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.621 1.427 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.799 0.693 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.065 0.970 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.918 1.903 -1.038 1.00 0.00 H new ATOM 636 N LEU A 42 5.262 6.516 1.220 1.00 0.00 N ATOM 637 CA LEU A 42 5.196 7.873 0.689 1.00 0.00 C ATOM 638 C LEU A 42 5.135 8.896 1.817 1.00 0.00 C ATOM 639 O LEU A 42 6.049 9.705 1.984 1.00 0.00 O ATOM 640 CB LEU A 42 3.976 8.025 -0.221 1.00 0.00 C ATOM 641 CG LEU A 42 4.045 7.302 -1.565 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.648 7.067 -2.120 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.886 8.095 -2.555 1.00 0.00 C ATOM 0 H LEU A 42 4.370 6.021 1.223 1.00 0.00 H new ATOM 0 HA LEU A 42 6.100 8.055 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.099 7.665 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.820 9.087 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 42 4.519 6.333 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.719 6.551 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.076 6.457 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.146 8.025 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.924 7.565 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.441 9.078 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.897 8.210 -2.163 1.00 0.00 H new ATOM 655 N ILE A 43 4.055 8.855 2.589 1.00 0.00 N ATOM 656 CA ILE A 43 3.877 9.777 3.705 1.00 0.00 C ATOM 657 C ILE A 43 5.197 10.030 4.425 1.00 0.00 C ATOM 658 O ILE A 43 5.392 11.080 5.035 1.00 0.00 O ATOM 659 CB ILE A 43 2.847 9.244 4.717 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.734 10.272 4.936 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.526 8.903 6.035 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.588 10.138 3.959 1.00 0.00 C ATOM 0 H ILE A 43 3.289 8.193 2.463 1.00 0.00 H new ATOM 0 HA ILE A 43 3.510 10.713 3.285 1.00 0.00 H new ATOM 0 HB ILE A 43 2.402 8.334 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.350 10.169 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.155 11.274 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.784 8.528 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.285 8.139 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.996 9.797 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.164 10.898 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.959 10.271 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.141 9.148 4.056 1.00 0.00 H new ATOM 674 N LYS A 44 6.102 9.060 4.346 1.00 0.00 N ATOM 675 CA LYS A 44 7.407 9.178 4.987 1.00 0.00 C ATOM 676 C LYS A 44 8.311 10.129 4.211 1.00 0.00 C ATOM 677 O LYS A 44 8.997 10.965 4.798 1.00 0.00 O ATOM 678 CB LYS A 44 8.069 7.802 5.097 1.00 0.00 C ATOM 679 CG LYS A 44 8.281 7.342 6.528 1.00 0.00 C ATOM 680 CD LYS A 44 6.988 7.387 7.326 1.00 0.00 C ATOM 681 CE LYS A 44 6.367 6.006 7.462 1.00 0.00 C ATOM 682 NZ LYS A 44 6.237 5.594 8.887 1.00 0.00 N ATOM 0 H LYS A 44 5.956 8.184 3.845 1.00 0.00 H new ATOM 0 HA LYS A 44 7.258 9.584 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.453 7.069 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.032 7.829 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.675 6.326 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.028 7.975 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.185 7.797 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.281 8.058 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.384 6.002 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.979 5.279 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.258 4.556 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.026 5.991 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.336 5.947 9.270 1.00 0.00 H new ATOM 696 N GLU A 45 8.306 9.996 2.888 1.00 0.00 N ATOM 697 CA GLU A 45 9.126 10.845 2.032 1.00 0.00 C ATOM 698 C GLU A 45 8.431 12.176 1.759 1.00 0.00 C ATOM 699 O GLU A 45 8.991 13.243 2.003 1.00 0.00 O ATOM 700 CB GLU A 45 9.429 10.135 0.711 1.00 0.00 C ATOM 701 CG GLU A 45 10.109 11.024 -0.316 1.00 0.00 C ATOM 702 CD GLU A 45 11.531 11.380 0.070 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.708 12.289 0.908 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.467 10.750 -0.464 1.00 0.00 O ATOM 0 H GLU A 45 7.743 9.309 2.386 1.00 0.00 H new ATOM 0 HA GLU A 45 10.063 11.044 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.065 9.272 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.498 9.755 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.115 10.518 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.530 11.939 -0.439 1.00 0.00 H new ATOM 711 N GLY A 46 7.205 12.103 1.250 1.00 0.00 N ATOM 712 CA GLY A 46 6.453 13.307 0.951 1.00 0.00 C ATOM 713 C GLY A 46 7.139 14.179 -0.081 1.00 0.00 C ATOM 714 O GLY A 46 7.307 15.382 0.123 1.00 0.00 O ATOM 0 H GLY A 46 6.719 11.231 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.462 13.032 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.310 13.879 1.868 1.00 0.00 H new ATOM 718 N LEU A 47 7.541 13.571 -1.193 1.00 0.00 N ATOM 719 CA LEU A 47 8.217 14.299 -2.261 1.00 0.00 C ATOM 720 C LEU A 47 7.225 15.144 -3.056 1.00 0.00 C ATOM 721 O LEU A 47 7.575 16.200 -3.579 1.00 0.00 O ATOM 722 CB LEU A 47 8.936 13.324 -3.194 1.00 0.00 C ATOM 723 CG LEU A 47 8.055 12.286 -3.889 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.665 11.873 -5.219 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.852 11.072 -2.993 1.00 0.00 C ATOM 0 H LEU A 47 7.410 12.576 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 47 8.951 14.964 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.455 13.901 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.698 12.798 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 47 7.081 12.736 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.024 11.134 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.757 12.747 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.652 11.442 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.222 10.344 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.818 10.621 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.370 11.381 -2.066 1.00 0.00 H new ATOM 737 N GLU A 48 5.986 14.669 -3.139 1.00 0.00 N ATOM 738 CA GLU A 48 4.944 15.381 -3.869 1.00 0.00 C ATOM 739 C GLU A 48 3.775 14.455 -4.192 1.00 0.00 C ATOM 740 O GLU A 48 2.658 14.908 -4.442 1.00 0.00 O ATOM 741 CB GLU A 48 5.509 15.975 -5.161 1.00 0.00 C ATOM 742 CG GLU A 48 6.519 15.074 -5.854 1.00 0.00 C ATOM 743 CD GLU A 48 6.329 15.032 -7.357 1.00 0.00 C ATOM 744 OE1 GLU A 48 5.210 14.700 -7.804 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.297 15.330 -8.087 1.00 0.00 O ATOM 0 H GLU A 48 5.680 13.796 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 48 4.581 16.189 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.687 16.180 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.982 16.931 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.527 15.423 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.435 14.064 -5.453 1.00 0.00 H new ATOM 752 N THR A 49 4.040 13.152 -4.183 1.00 0.00 N ATOM 753 CA THR A 49 3.012 12.161 -4.476 1.00 0.00 C ATOM 754 C THR A 49 1.667 12.576 -3.891 1.00 0.00 C ATOM 755 O THR A 49 0.614 12.204 -4.410 1.00 0.00 O ATOM 756 CB THR A 49 3.394 10.775 -3.922 1.00 0.00 C ATOM 757 OG1 THR A 49 4.658 10.365 -4.455 1.00 0.00 O ATOM 758 CG2 THR A 49 2.333 9.742 -4.268 1.00 0.00 C ATOM 0 H THR A 49 4.958 12.759 -3.976 1.00 0.00 H new ATOM 0 HA THR A 49 2.931 12.101 -5.561 1.00 0.00 H new ATOM 0 HB THR A 49 3.465 10.850 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.547 9.527 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.625 8.772 -3.866 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.379 10.042 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.234 9.671 -5.351 1.00 0.00 H new ATOM 766 N ALA A 50 1.708 13.349 -2.812 1.00 0.00 N ATOM 767 CA ALA A 50 0.491 13.816 -2.160 1.00 0.00 C ATOM 768 C ALA A 50 -0.348 12.645 -1.659 1.00 0.00 C ATOM 769 O ALA A 50 -1.487 12.825 -1.229 1.00 0.00 O ATOM 770 CB ALA A 50 -0.320 14.680 -3.114 1.00 0.00 C ATOM 0 H ALA A 50 2.571 13.666 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 50 0.778 14.418 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.226 15.022 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.274 15.542 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.589 14.096 -3.994 1.00 0.00 H new ATOM 776 N ILE A 51 0.222 11.447 -1.718 1.00 0.00 N ATOM 777 CA ILE A 51 -0.475 10.247 -1.270 1.00 0.00 C ATOM 778 C ILE A 51 -1.959 10.313 -1.613 1.00 0.00 C ATOM 779 O ILE A 51 -2.780 10.708 -0.785 1.00 0.00 O ATOM 780 CB ILE A 51 -0.317 10.039 0.247 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.157 9.846 0.608 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.141 8.844 0.706 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.044 10.984 0.153 1.00 0.00 C ATOM 0 H ILE A 51 1.164 11.281 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.022 9.404 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.683 10.928 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.247 9.736 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.513 8.917 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.019 8.709 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.193 9.018 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.802 7.947 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.075 10.780 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.984 11.081 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.713 11.912 0.619 1.00 0.00 H new ATOM 795 N SER A 52 -2.296 9.921 -2.838 1.00 0.00 N ATOM 796 CA SER A 52 -3.682 9.937 -3.291 1.00 0.00 C ATOM 797 C SER A 52 -4.330 8.569 -3.105 1.00 0.00 C ATOM 798 O SER A 52 -3.647 7.546 -3.061 1.00 0.00 O ATOM 799 CB SER A 52 -3.756 10.354 -4.760 1.00 0.00 C ATOM 800 OG SER A 52 -4.692 9.561 -5.469 1.00 0.00 O ATOM 0 H SER A 52 -1.628 9.589 -3.534 1.00 0.00 H new ATOM 0 HA SER A 52 -4.227 10.663 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.038 11.404 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.772 10.258 -5.219 1.00 0.00 H new ATOM 0 HG SER A 52 -4.722 9.849 -6.405 1.00 0.00 H new ATOM 806 N CYS A 53 -5.655 8.559 -2.996 1.00 0.00 N ATOM 807 CA CYS A 53 -6.398 7.319 -2.815 1.00 0.00 C ATOM 808 C CYS A 53 -5.732 6.170 -3.567 1.00 0.00 C ATOM 809 O CYS A 53 -5.313 6.307 -4.717 1.00 0.00 O ATOM 810 CB CYS A 53 -7.840 7.488 -3.297 1.00 0.00 C ATOM 811 SG CYS A 53 -8.866 5.993 -3.114 1.00 0.00 S ATOM 0 H CYS A 53 -6.236 9.397 -3.030 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.402 7.081 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.304 8.304 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.829 7.782 -4.347 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.938 6.283 -2.439 1.00 0.00 H new ATOM 816 N PRO A 54 -5.628 5.009 -2.903 1.00 0.00 N ATOM 817 CA PRO A 54 -5.014 3.814 -3.488 1.00 0.00 C ATOM 818 C PRO A 54 -5.863 3.213 -4.604 1.00 0.00 C ATOM 819 O PRO A 54 -5.519 2.173 -5.166 1.00 0.00 O ATOM 820 CB PRO A 54 -4.922 2.846 -2.306 1.00 0.00 C ATOM 821 CG PRO A 54 -6.002 3.280 -1.376 1.00 0.00 C ATOM 822 CD PRO A 54 -6.104 4.774 -1.529 1.00 0.00 C ATOM 0 HA PRO A 54 -4.052 4.036 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.067 1.814 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.944 2.897 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.947 2.797 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.764 3.008 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.128 5.123 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.489 5.296 -0.796 1.00 0.00 H new ATOM 830 N ASP A 55 -6.970 3.874 -4.919 1.00 0.00 N ATOM 831 CA ASP A 55 -7.867 3.406 -5.969 1.00 0.00 C ATOM 832 C ASP A 55 -7.861 4.363 -7.156 1.00 0.00 C ATOM 833 O ASP A 55 -8.622 5.331 -7.190 1.00 0.00 O ATOM 834 CB ASP A 55 -9.290 3.257 -5.425 1.00 0.00 C ATOM 835 CG ASP A 55 -10.284 2.875 -6.503 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.482 3.191 -6.346 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.865 2.259 -7.505 1.00 0.00 O ATOM 0 H ASP A 55 -7.268 4.736 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.512 2.433 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.299 2.499 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.600 4.195 -4.965 1.00 0.00 H new ATOM 842 N ALA A 56 -6.997 4.089 -8.127 1.00 0.00 N ATOM 843 CA ALA A 56 -6.891 4.924 -9.316 1.00 0.00 C ATOM 844 C ALA A 56 -8.230 5.020 -10.041 1.00 0.00 C ATOM 845 O ALA A 56 -8.404 5.843 -10.937 1.00 0.00 O ATOM 846 CB ALA A 56 -5.820 4.381 -10.251 1.00 0.00 C ATOM 0 H ALA A 56 -6.359 3.293 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.606 5.927 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.753 5.016 -11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.859 4.372 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.080 3.366 -10.552 1.00 0.00 H new ATOM 852 N ALA A 57 -9.172 4.169 -9.647 1.00 0.00 N ATOM 853 CA ALA A 57 -10.496 4.158 -10.258 1.00 0.00 C ATOM 854 C ALA A 57 -11.534 4.778 -9.330 1.00 0.00 C ATOM 855 O ALA A 57 -12.729 4.501 -9.444 1.00 0.00 O ATOM 856 CB ALA A 57 -10.895 2.737 -10.627 1.00 0.00 C ATOM 0 H ALA A 57 -9.043 3.478 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.455 4.759 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.885 2.744 -11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.173 2.329 -11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.912 2.119 -9.729 1.00 0.00 H new ATOM 862 N CYS A 58 -11.072 5.617 -8.408 1.00 0.00 N ATOM 863 CA CYS A 58 -11.961 6.275 -7.459 1.00 0.00 C ATOM 864 C CYS A 58 -12.731 7.409 -8.130 1.00 0.00 C ATOM 865 O CYS A 58 -12.171 8.225 -8.862 1.00 0.00 O ATOM 866 CB CYS A 58 -11.161 6.819 -6.273 1.00 0.00 C ATOM 867 SG CYS A 58 -12.188 7.362 -4.869 1.00 0.00 S ATOM 0 H CYS A 58 -10.087 5.857 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.678 5.537 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.472 6.047 -5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.555 7.659 -6.612 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.259 6.408 -3.989 1.00 0.00 H new ATOM 872 N PRO A 59 -14.047 7.462 -7.875 1.00 0.00 N ATOM 873 CA PRO A 59 -14.922 8.491 -8.444 1.00 0.00 C ATOM 874 C PRO A 59 -14.653 9.871 -7.855 1.00 0.00 C ATOM 875 O PRO A 59 -15.174 10.876 -8.338 1.00 0.00 O ATOM 876 CB PRO A 59 -16.326 8.012 -8.064 1.00 0.00 C ATOM 877 CG PRO A 59 -16.125 7.177 -6.847 1.00 0.00 C ATOM 878 CD PRO A 59 -14.782 6.522 -7.012 1.00 0.00 C ATOM 0 HA PRO A 59 -14.772 8.606 -9.517 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.990 8.853 -7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.779 7.435 -8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.153 7.789 -5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.914 6.431 -6.751 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.283 6.382 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.869 5.538 -7.472 1.00 0.00 H new ATOM 886 N LYS A 60 -13.836 9.914 -6.808 1.00 0.00 N ATOM 887 CA LYS A 60 -13.495 11.171 -6.153 1.00 0.00 C ATOM 888 C LYS A 60 -11.982 11.366 -6.102 1.00 0.00 C ATOM 889 O LYS A 60 -11.496 12.492 -6.009 1.00 0.00 O ATOM 890 CB LYS A 60 -14.072 11.205 -4.737 1.00 0.00 C ATOM 891 CG LYS A 60 -15.545 11.572 -4.689 1.00 0.00 C ATOM 892 CD LYS A 60 -15.742 13.058 -4.439 1.00 0.00 C ATOM 893 CE LYS A 60 -16.842 13.311 -3.419 1.00 0.00 C ATOM 894 NZ LYS A 60 -16.543 14.492 -2.563 1.00 0.00 N ATOM 0 H LYS A 60 -13.397 9.091 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.929 11.984 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.934 10.228 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.508 11.922 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.021 11.294 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.038 11.001 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.808 13.495 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.992 13.556 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.788 13.468 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.965 12.429 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.316 14.631 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.653 14.332 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.451 15.339 -3.160 1.00 0.00 H new ATOM 908 N GLN A 61 -11.246 10.261 -6.165 1.00 0.00 N ATOM 909 CA GLN A 61 -9.789 10.312 -6.127 1.00 0.00 C ATOM 910 C GLN A 61 -9.307 11.331 -5.099 1.00 0.00 C ATOM 911 O GLN A 61 -8.610 12.287 -5.438 1.00 0.00 O ATOM 912 CB GLN A 61 -9.234 10.660 -7.508 1.00 0.00 C ATOM 913 CG GLN A 61 -9.185 9.476 -8.460 1.00 0.00 C ATOM 914 CD GLN A 61 -7.886 9.404 -9.238 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.279 8.340 -9.359 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.451 10.540 -9.770 1.00 0.00 N ATOM 0 H GLN A 61 -11.634 9.321 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.423 9.328 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.847 11.445 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.229 11.066 -7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.316 8.554 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.019 9.542 -9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.986 11.399 -9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.582 10.553 -10.304 1.00 0.00 H new ATOM 925 N GLY A 62 -9.684 11.121 -3.842 1.00 0.00 N ATOM 926 CA GLY A 62 -9.281 12.031 -2.785 1.00 0.00 C ATOM 927 C GLY A 62 -7.833 11.843 -2.380 1.00 0.00 C ATOM 928 O GLY A 62 -7.221 10.821 -2.691 1.00 0.00 O ATOM 0 H GLY A 62 -10.261 10.337 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.432 13.058 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.921 11.880 -1.916 1.00 0.00 H new ATOM 932 N HIS A 63 -7.282 12.832 -1.683 1.00 0.00 N ATOM 933 CA HIS A 63 -5.894 12.772 -1.235 1.00 0.00 C ATOM 934 C HIS A 63 -5.820 12.496 0.264 1.00 0.00 C ATOM 935 O HIS A 63 -6.831 12.545 0.966 1.00 0.00 O ATOM 936 CB HIS A 63 -5.174 14.080 -1.562 1.00 0.00 C ATOM 937 CG HIS A 63 -4.462 14.060 -2.879 1.00 0.00 C ATOM 938 ND1 HIS A 63 -3.507 13.228 -3.356 1.00 0.00 N flip ATOM 939 CD2 HIS A 63 -4.707 14.975 -3.881 1.00 0.00 C flip ATOM 940 CE1 HIS A 63 -3.196 13.651 -4.625 1.00 0.00 C flip ATOM 941 NE2 HIS A 63 -3.934 14.705 -4.918 1.00 0.00 N flip ATOM 0 H HIS A 63 -7.775 13.684 -1.416 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.402 11.955 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.899 14.894 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.454 14.296 -0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.419 15.785 -3.827 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.466 13.195 -5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.912 15.223 -5.796 1.00 0.00 H new ATOM 949 N LEU A 64 -4.617 12.206 0.746 1.00 0.00 N ATOM 950 CA LEU A 64 -4.409 11.920 2.163 1.00 0.00 C ATOM 951 C LEU A 64 -3.476 12.948 2.793 1.00 0.00 C ATOM 952 O LEU A 64 -2.706 13.611 2.098 1.00 0.00 O ATOM 953 CB LEU A 64 -3.834 10.514 2.341 1.00 0.00 C ATOM 954 CG LEU A 64 -4.811 9.358 2.128 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.076 8.121 1.635 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.568 9.054 3.413 1.00 0.00 C ATOM 0 H LEU A 64 -3.771 12.162 0.178 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.374 11.976 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.002 10.393 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.424 10.436 3.348 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.533 9.654 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.788 7.309 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.581 8.344 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.331 7.822 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.259 8.228 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.861 8.779 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.127 9.937 3.723 1.00 0.00 H new ATOM 968 N GLN A 65 -3.547 13.073 4.115 1.00 0.00 N ATOM 969 CA GLN A 65 -2.707 14.019 4.839 1.00 0.00 C ATOM 970 C GLN A 65 -1.371 13.385 5.211 1.00 0.00 C ATOM 971 O GLN A 65 -1.198 12.171 5.107 1.00 0.00 O ATOM 972 CB GLN A 65 -3.422 14.507 6.100 1.00 0.00 C ATOM 973 CG GLN A 65 -4.860 14.027 6.208 1.00 0.00 C ATOM 974 CD GLN A 65 -4.966 12.625 6.773 1.00 0.00 C ATOM 975 OE1 GLN A 65 -3.885 11.861 6.669 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -6.007 12.231 7.299 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.178 12.531 4.706 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.516 14.871 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.868 14.169 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.409 15.597 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.422 14.713 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.323 14.053 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.815 12.851 7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.062 11.285 7.676 1.00 0.00 H new ATOM 985 N GLU A 66 -0.428 14.217 5.645 1.00 0.00 N ATOM 986 CA GLU A 66 0.893 13.736 6.032 1.00 0.00 C ATOM 987 C GLU A 66 0.942 13.416 7.523 1.00 0.00 C ATOM 988 O GLU A 66 1.378 12.339 7.923 1.00 0.00 O ATOM 989 CB GLU A 66 1.960 14.778 5.688 1.00 0.00 C ATOM 990 CG GLU A 66 2.655 14.523 4.361 1.00 0.00 C ATOM 991 CD GLU A 66 4.042 15.135 4.301 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.509 15.643 5.341 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.656 15.108 3.215 1.00 0.00 O ATOM 0 H GLU A 66 -0.554 15.225 5.737 1.00 0.00 H new ATOM 0 HA GLU A 66 1.095 12.821 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.497 15.765 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.707 14.797 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.729 13.448 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.047 14.930 3.553 1.00 0.00 H new ATOM 1000 N ASN A 67 0.490 14.363 8.340 1.00 0.00 N ATOM 1001 CA ASN A 67 0.482 14.183 9.788 1.00 0.00 C ATOM 1002 C ASN A 67 -0.523 13.111 10.197 1.00 0.00 C ATOM 1003 O ASN A 67 -0.161 12.110 10.813 1.00 0.00 O ATOM 1004 CB ASN A 67 0.149 15.503 10.484 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.736 15.308 11.701 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.510 14.407 12.508 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.750 16.154 11.837 1.00 0.00 N ATOM 0 H ASN A 67 0.125 15.262 8.024 1.00 0.00 H new ATOM 0 HA ASN A 67 1.476 13.859 10.095 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.074 15.995 10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.350 16.167 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.379 16.072 12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.900 16.886 11.143 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.788 13.330 9.849 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.846 12.382 10.181 1.00 0.00 C ATOM 1016 C GLU A 68 -2.424 10.955 9.842 1.00 0.00 C ATOM 1017 O GLU A 68 -2.515 10.055 10.678 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.132 12.737 9.433 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.230 13.280 10.332 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.151 12.192 10.850 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.787 11.509 10.020 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -6.237 12.025 12.084 1.00 0.00 O ATOM 0 H GLU A 68 -2.105 14.154 9.338 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.030 12.443 11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.903 13.477 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.501 11.849 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.779 13.801 11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.816 14.015 9.780 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.964 10.757 8.611 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.528 9.441 8.162 1.00 0.00 C ATOM 1031 C ILE A 69 -0.326 8.956 8.965 1.00 0.00 C ATOM 1032 O ILE A 69 -0.434 8.020 9.758 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.162 9.450 6.666 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.428 9.476 5.809 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.307 8.239 6.322 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.396 8.501 4.653 1.00 0.00 C ATOM 0 H ILE A 69 -1.884 11.491 7.907 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.365 8.761 8.319 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.584 10.350 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.288 9.251 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.573 10.484 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.057 8.260 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.609 8.261 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.861 7.327 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.326 8.574 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.556 8.738 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.283 7.487 5.036 1.00 0.00 H new ATOM 1048 N GLU A 70 0.818 9.600 8.757 1.00 0.00 N ATOM 1049 CA GLU A 70 2.040 9.234 9.463 1.00 0.00 C ATOM 1050 C GLU A 70 1.779 9.086 10.959 1.00 0.00 C ATOM 1051 O GLU A 70 2.544 8.435 11.672 1.00 0.00 O ATOM 1052 CB GLU A 70 3.127 10.284 9.224 1.00 0.00 C ATOM 1053 CG GLU A 70 3.079 11.444 10.206 1.00 0.00 C ATOM 1054 CD GLU A 70 4.080 12.532 9.873 1.00 0.00 C ATOM 1055 OE1 GLU A 70 3.727 13.723 10.002 1.00 0.00 O ATOM 1056 OE2 GLU A 70 5.217 12.194 9.482 1.00 0.00 O ATOM 0 H GLU A 70 0.924 10.378 8.105 1.00 0.00 H new ATOM 0 HA GLU A 70 2.381 8.274 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.104 9.805 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.029 10.673 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.075 11.869 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.274 11.072 11.212 1.00 0.00 H new ATOM 1063 N CYS A 71 0.696 9.695 11.429 1.00 0.00 N ATOM 1064 CA CYS A 71 0.335 9.633 12.840 1.00 0.00 C ATOM 1065 C CYS A 71 -0.205 8.253 13.203 1.00 0.00 C ATOM 1066 O CYS A 71 0.079 7.728 14.278 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.705 10.705 13.170 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.857 10.236 14.483 1.00 0.00 S ATOM 0 H CYS A 71 0.053 10.238 10.853 1.00 0.00 H new ATOM 0 HA CYS A 71 1.234 9.817 13.428 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.189 11.619 13.464 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.273 10.935 12.268 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.696 11.207 14.692 1.00 0.00 H new ATOM 1074 N MET A 72 -0.989 7.674 12.299 1.00 0.00 N ATOM 1075 CA MET A 72 -1.570 6.356 12.525 1.00 0.00 C ATOM 1076 C MET A 72 -0.525 5.262 12.332 1.00 0.00 C ATOM 1077 O MET A 72 -0.841 4.073 12.379 1.00 0.00 O ATOM 1078 CB MET A 72 -2.748 6.125 11.574 1.00 0.00 C ATOM 1079 CG MET A 72 -2.358 5.419 10.285 1.00 0.00 C ATOM 1080 SD MET A 72 -3.327 5.977 8.869 1.00 0.00 S ATOM 1081 CE MET A 72 -2.706 4.892 7.587 1.00 0.00 C ATOM 0 H MET A 72 -1.236 8.097 11.404 1.00 0.00 H new ATOM 0 HA MET A 72 -1.928 6.315 13.554 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.508 5.535 12.086 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.201 7.086 11.330 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.300 5.590 10.087 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.489 4.344 10.410 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.210 5.114 6.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.633 5.045 7.469 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.896 3.855 7.864 1.00 0.00 H new ATOM 1091 N VAL A 73 0.722 5.669 12.118 1.00 0.00 N ATOM 1092 CA VAL A 73 1.813 4.724 11.920 1.00 0.00 C ATOM 1093 C VAL A 73 3.047 5.136 12.715 1.00 0.00 C ATOM 1094 O VAL A 73 3.384 4.518 13.724 1.00 0.00 O ATOM 1095 CB VAL A 73 2.189 4.604 10.431 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.461 3.433 9.789 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.882 5.901 9.698 1.00 0.00 C ATOM 0 H VAL A 73 1.002 6.649 12.077 1.00 0.00 H new ATOM 0 HA VAL A 73 1.462 3.755 12.276 1.00 0.00 H new ATOM 0 HB VAL A 73 3.261 4.418 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.739 3.364 8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.737 2.510 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.385 3.585 9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.154 5.798 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.817 6.121 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.455 6.715 10.143 1.00 0.00 H new ATOM 1107 N ALA A 74 3.720 6.184 12.251 1.00 0.00 N ATOM 1108 CA ALA A 74 4.916 6.681 12.919 1.00 0.00 C ATOM 1109 C ALA A 74 4.560 7.700 13.996 1.00 0.00 C ATOM 1110 O ALA A 74 5.198 8.746 14.109 1.00 0.00 O ATOM 1111 CB ALA A 74 5.871 7.294 11.904 1.00 0.00 C ATOM 0 H ALA A 74 3.457 6.705 11.415 1.00 0.00 H new ATOM 0 HA ALA A 74 5.409 5.838 13.403 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.760 7.661 12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.159 6.538 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.378 8.122 11.394 1.00 0.00 H new ATOM 1117 N ALA A 75 3.538 7.388 14.785 1.00 0.00 N ATOM 1118 CA ALA A 75 3.098 8.276 15.854 1.00 0.00 C ATOM 1119 C ALA A 75 4.289 8.860 16.606 1.00 0.00 C ATOM 1120 O ALA A 75 4.518 10.065 16.526 1.00 0.00 O ATOM 1121 CB ALA A 75 2.178 7.534 16.811 1.00 0.00 C ATOM 0 H ALA A 75 2.998 6.526 14.704 1.00 0.00 H new ATOM 0 HA ALA A 75 2.546 9.101 15.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.857 8.209 17.604 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.305 7.171 16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.711 6.689 17.247 1.00 0.00 H new