USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 410 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 47 SER OG : rot 180:sc= -0.551 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 38 CYS SG : rot 158:sc= -0.215 USER MOD Set 2.2: A 41 CYS SG : rot -44:sc= 0.629 USER MOD Set 2.3: A 59 CYS SG : rot -38:sc= -1.51! USER MOD Set 2.4: A 62 CYS SG : rot 180:sc= 0.457 USER MOD Set 3.1: A 11 CYS SG : rot 139:sc= 0.11 USER MOD Set 3.2: A 14 CYS SG : rot -48:sc= -0.0654 USER MOD Set 3.3: A 32 HIS : no HE2:sc= -5.6! C(o=-6!,f=-16!) USER MOD Set 3.4: A 35 CYS SG : rot 171:sc= -0.416 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.0329 (180deg=-0.458) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0167) USER MOD Single : A 30 SER OG : rot -46:sc= 0.95 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 55:sc= -0.107 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -1.73 (180deg=-2.02) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0282 (180deg=-0.266) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.202 F(o=-0.86,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -15.079 -4.506 -10.061 1.00 0.00 N ATOM 123 CA GLY A 10 -14.040 -4.977 -10.965 1.00 0.00 C ATOM 124 C GLY A 10 -12.722 -4.261 -10.687 1.00 0.00 C ATOM 125 O GLY A 10 -12.655 -3.362 -9.851 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.908 -6.053 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.343 -4.804 -11.998 1.00 0.00 H new ATOM 129 N CYS A 11 -11.656 -4.757 -11.312 1.00 0.00 N ATOM 130 CA CYS A 11 -10.299 -4.403 -10.913 1.00 0.00 C ATOM 131 C CYS A 11 -9.530 -3.849 -12.134 1.00 0.00 C ATOM 132 O CYS A 11 -8.948 -4.615 -12.923 1.00 0.00 O ATOM 133 CB CYS A 11 -9.568 -5.603 -10.320 1.00 0.00 C ATOM 134 SG CYS A 11 -8.113 -5.179 -9.331 1.00 0.00 S ATOM 0 H CYS A 11 -11.708 -5.406 -12.097 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.352 -3.635 -10.141 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.264 -6.165 -9.698 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.261 -6.263 -11.131 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.078 -5.927 -8.268 1.00 0.00 H new ATOM 139 N PRO A 12 -9.288 -2.523 -12.095 1.00 0.00 N ATOM 140 CA PRO A 12 -8.334 -1.851 -13.013 1.00 0.00 C ATOM 141 C PRO A 12 -6.917 -2.416 -12.942 1.00 0.00 C ATOM 142 O PRO A 12 -6.058 -2.059 -13.745 1.00 0.00 O ATOM 143 CB PRO A 12 -8.397 -0.364 -12.689 1.00 0.00 C ATOM 144 CG PRO A 12 -9.536 -0.127 -11.741 1.00 0.00 C ATOM 145 CD PRO A 12 -9.926 -1.502 -11.215 1.00 0.00 C ATOM 0 HA PRO A 12 -8.622 -2.032 -14.049 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.459 -0.034 -12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.537 0.216 -13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.237 0.533 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.374 0.351 -12.248 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.594 -1.625 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.010 -1.619 -11.217 1.00 0.00 H new ATOM 153 N ARG A 13 -6.653 -3.158 -11.872 1.00 0.00 N ATOM 154 CA ARG A 13 -5.294 -3.540 -11.514 1.00 0.00 C ATOM 155 C ARG A 13 -4.877 -4.796 -12.274 1.00 0.00 C ATOM 156 O ARG A 13 -3.867 -4.798 -12.976 1.00 0.00 O ATOM 157 CB ARG A 13 -5.148 -3.774 -10.004 1.00 0.00 C ATOM 158 CG ARG A 13 -3.889 -3.181 -9.388 1.00 0.00 C ATOM 159 CD ARG A 13 -2.658 -3.679 -10.065 1.00 0.00 C ATOM 160 NE ARG A 13 -1.678 -2.621 -10.269 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.815 -2.610 -11.288 1.00 0.00 C ATOM 162 NH1 ARG A 13 -0.922 -3.465 -12.299 1.00 0.00 N ATOM 163 NH2 ARG A 13 0.144 -1.684 -11.317 1.00 0.00 N ATOM 0 H ARG A 13 -7.368 -3.508 -11.235 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.640 -2.714 -11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.017 -3.352 -9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.159 -4.847 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.928 -2.094 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.849 -3.433 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.213 -4.474 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.925 -4.115 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.649 -1.851 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.677 -4.151 -12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.249 -3.435 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.211 -0.996 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.810 -1.664 -12.089 1.00 0.00 H new ATOM 177 N CYS A 14 -5.518 -5.907 -11.916 1.00 0.00 N ATOM 178 CA CYS A 14 -5.171 -7.206 -12.470 1.00 0.00 C ATOM 179 C CYS A 14 -5.985 -7.484 -13.732 1.00 0.00 C ATOM 180 O CYS A 14 -5.566 -8.257 -14.591 1.00 0.00 O ATOM 181 CB CYS A 14 -5.326 -8.318 -11.438 1.00 0.00 C ATOM 182 SG CYS A 14 -6.959 -8.426 -10.673 1.00 0.00 S ATOM 0 H CYS A 14 -6.283 -5.929 -11.242 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.118 -7.184 -12.749 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.102 -9.271 -11.916 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.583 -8.172 -10.654 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.332 -7.245 -10.279 1.00 0.00 H new ATOM 187 N GLY A 15 -7.013 -6.664 -13.929 1.00 0.00 N ATOM 188 CA GLY A 15 -7.831 -6.728 -15.130 1.00 0.00 C ATOM 189 C GLY A 15 -8.877 -7.833 -15.005 1.00 0.00 C ATOM 190 O GLY A 15 -9.531 -8.193 -15.983 1.00 0.00 O ATOM 0 H GLY A 15 -7.299 -5.944 -13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.324 -5.769 -15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.199 -6.914 -15.998 1.00 0.00 H new ATOM 194 N GLN A 16 -9.123 -8.247 -13.768 1.00 0.00 N ATOM 195 CA GLN A 16 -10.250 -9.114 -13.454 1.00 0.00 C ATOM 196 C GLN A 16 -11.464 -8.282 -13.049 1.00 0.00 C ATOM 197 O GLN A 16 -11.327 -7.135 -12.627 1.00 0.00 O ATOM 198 CB GLN A 16 -9.916 -10.155 -12.382 1.00 0.00 C ATOM 199 CG GLN A 16 -9.628 -11.534 -12.939 1.00 0.00 C ATOM 200 CD GLN A 16 -8.444 -12.203 -12.282 1.00 0.00 C ATOM 201 OE1 GLN A 16 -7.416 -12.460 -12.902 1.00 0.00 O ATOM 202 NE2 GLN A 16 -8.567 -12.409 -10.972 1.00 0.00 N ATOM 0 H GLN A 16 -8.552 -7.994 -12.961 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.488 -9.671 -14.360 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.050 -9.814 -11.815 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.749 -10.223 -11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.510 -12.162 -12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.445 -11.455 -14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.441 -12.180 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.787 -12.796 -10.441 1.00 0.00 H new ATOM 211 N ALA A 17 -12.625 -8.927 -13.053 1.00 0.00 N ATOM 212 CA ALA A 17 -13.825 -8.357 -12.451 1.00 0.00 C ATOM 213 C ALA A 17 -14.341 -9.272 -11.342 1.00 0.00 C ATOM 214 O ALA A 17 -14.130 -10.483 -11.377 1.00 0.00 O ATOM 215 CB ALA A 17 -14.893 -8.129 -13.514 1.00 0.00 C ATOM 0 H ALA A 17 -12.761 -9.849 -13.468 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.577 -7.392 -12.010 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.783 -7.703 -13.050 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.513 -7.441 -14.270 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.148 -9.079 -13.983 1.00 0.00 H new ATOM 221 N VAL A 18 -14.851 -8.651 -10.281 1.00 0.00 N ATOM 222 CA VAL A 18 -15.080 -9.343 -9.020 1.00 0.00 C ATOM 223 C VAL A 18 -16.583 -9.544 -8.802 1.00 0.00 C ATOM 224 O VAL A 18 -17.345 -8.576 -8.830 1.00 0.00 O ATOM 225 CB VAL A 18 -14.394 -8.616 -7.850 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.264 -9.498 -6.610 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.042 -8.041 -8.242 1.00 0.00 C ATOM 0 H VAL A 18 -15.114 -7.665 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.622 -10.331 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.049 -7.783 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.773 -8.937 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.255 -9.807 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.671 -10.380 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.598 -7.538 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.385 -8.847 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.172 -7.326 -9.054 1.00 0.00 H new ATOM 237 N TYR A 19 -16.917 -10.718 -8.275 1.00 0.00 N ATOM 238 CA TYR A 19 -18.273 -11.005 -7.832 1.00 0.00 C ATOM 239 C TYR A 19 -18.362 -10.937 -6.310 1.00 0.00 C ATOM 240 O TYR A 19 -17.400 -11.249 -5.610 1.00 0.00 O ATOM 241 CB TYR A 19 -18.746 -12.382 -8.346 1.00 0.00 C ATOM 242 CG TYR A 19 -18.023 -13.558 -7.730 1.00 0.00 C ATOM 243 CD1 TYR A 19 -16.687 -13.810 -8.044 1.00 0.00 C ATOM 244 CD2 TYR A 19 -18.682 -14.455 -6.885 1.00 0.00 C ATOM 245 CE1 TYR A 19 -16.023 -14.923 -7.540 1.00 0.00 C ATOM 246 CE2 TYR A 19 -18.030 -15.574 -6.370 1.00 0.00 C ATOM 247 CZ TYR A 19 -16.700 -15.810 -6.713 1.00 0.00 C ATOM 248 OH TYR A 19 -16.032 -16.923 -6.285 1.00 0.00 O ATOM 0 H TYR A 19 -16.261 -11.489 -8.145 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.934 -10.247 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.813 -12.483 -8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.617 -12.417 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.158 -13.127 -8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.715 -14.278 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.987 -15.097 -7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.551 -16.252 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 19 -16.621 -17.458 -5.712 1.00 0.00 H new ATOM 258 N ALA A 20 -19.428 -10.294 -5.838 1.00 0.00 N ATOM 259 CA ALA A 20 -19.640 -10.103 -4.411 1.00 0.00 C ATOM 260 C ALA A 20 -18.504 -9.278 -3.809 1.00 0.00 C ATOM 261 O ALA A 20 -18.406 -9.147 -2.589 1.00 0.00 O ATOM 262 CB ALA A 20 -19.767 -11.451 -3.709 1.00 0.00 C ATOM 0 H ALA A 20 -20.159 -9.896 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 20 -20.571 -9.555 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -19.925 -11.292 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.613 -11.999 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -18.854 -12.027 -3.859 1.00 0.00 H new ATOM 268 N ALA A 21 -17.801 -8.562 -4.679 1.00 0.00 N ATOM 269 CA ALA A 21 -16.851 -7.543 -4.254 1.00 0.00 C ATOM 270 C ALA A 21 -15.732 -8.174 -3.427 1.00 0.00 C ATOM 271 O ALA A 21 -15.918 -8.476 -2.249 1.00 0.00 O ATOM 272 CB ALA A 21 -17.564 -6.451 -3.465 1.00 0.00 C ATOM 0 H ALA A 21 -17.873 -8.671 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.405 -7.087 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.842 -5.696 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -18.326 -5.988 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.035 -6.887 -2.584 1.00 0.00 H new ATOM 278 N GLU A 22 -14.540 -8.203 -4.011 1.00 0.00 N ATOM 279 CA GLU A 22 -13.322 -8.495 -3.259 1.00 0.00 C ATOM 280 C GLU A 22 -12.381 -7.286 -3.317 1.00 0.00 C ATOM 281 O GLU A 22 -11.162 -7.448 -3.309 1.00 0.00 O ATOM 282 CB GLU A 22 -12.681 -9.731 -3.871 1.00 0.00 C ATOM 283 CG GLU A 22 -11.903 -10.611 -2.930 1.00 0.00 C ATOM 284 CD GLU A 22 -11.118 -9.945 -1.833 1.00 0.00 C ATOM 285 OE1 GLU A 22 -11.867 -9.404 -0.989 1.00 0.00 O ATOM 286 OE2 GLU A 22 -9.924 -10.120 -1.655 1.00 0.00 O ATOM 0 H GLU A 22 -14.389 -8.028 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.543 -8.688 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.466 -10.331 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.014 -9.410 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.603 -11.306 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.209 -11.206 -3.524 1.00 0.00 H new ATOM 293 N LYS A 23 -12.959 -6.129 -3.623 1.00 0.00 N ATOM 294 CA LYS A 23 -12.197 -5.006 -4.164 1.00 0.00 C ATOM 295 C LYS A 23 -11.949 -3.961 -3.082 1.00 0.00 C ATOM 296 O LYS A 23 -12.630 -3.939 -2.057 1.00 0.00 O ATOM 297 CB LYS A 23 -12.919 -4.347 -5.340 1.00 0.00 C ATOM 298 CG LYS A 23 -14.346 -3.901 -5.020 1.00 0.00 C ATOM 299 CD LYS A 23 -14.448 -2.425 -4.683 1.00 0.00 C ATOM 300 CE LYS A 23 -15.571 -1.720 -5.322 1.00 0.00 C ATOM 301 NZ LYS A 23 -16.847 -2.461 -5.148 1.00 0.00 N ATOM 0 H LYS A 23 -13.955 -5.943 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.247 -5.404 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.343 -3.482 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.946 -5.047 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.988 -4.118 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.723 -4.486 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.540 -2.319 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.518 -1.936 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.667 -0.722 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.365 -1.592 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.644 -1.795 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.944 -3.168 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.848 -2.939 -4.225 1.00 0.00 H new ATOM 315 N VAL A 24 -11.062 -3.020 -3.389 1.00 0.00 N ATOM 316 CA VAL A 24 -10.904 -1.817 -2.583 1.00 0.00 C ATOM 317 C VAL A 24 -11.292 -0.582 -3.398 1.00 0.00 C ATOM 318 O VAL A 24 -11.589 -0.692 -4.589 1.00 0.00 O ATOM 319 CB VAL A 24 -9.475 -1.738 -2.007 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.311 -2.558 -0.734 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.431 -2.128 -3.041 1.00 0.00 C ATOM 0 H VAL A 24 -10.439 -3.069 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.580 -1.856 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.312 -0.694 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.287 -2.467 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.999 -2.190 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.529 -3.605 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.437 -2.060 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.611 -3.151 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.495 -1.453 -3.895 1.00 0.00 H new ATOM 331 N ILE A 25 -11.023 0.583 -2.820 1.00 0.00 N ATOM 332 CA ILE A 25 -11.060 1.840 -3.555 1.00 0.00 C ATOM 333 C ILE A 25 -10.333 2.933 -2.777 1.00 0.00 C ATOM 334 O ILE A 25 -10.241 2.879 -1.552 1.00 0.00 O ATOM 335 CB ILE A 25 -12.551 2.243 -3.871 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.555 3.502 -4.776 1.00 0.00 C ATOM 337 CG2 ILE A 25 -13.398 2.440 -2.595 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.063 3.253 -6.217 1.00 0.00 C ATOM 0 H ILE A 25 -10.775 0.682 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.542 1.713 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.026 1.420 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.178 4.266 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.542 3.902 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.415 2.716 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.417 1.512 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.960 3.231 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.032 4.186 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.427 2.514 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.088 2.884 -6.183 1.00 0.00 H new ATOM 350 N GLY A 26 -9.702 3.836 -3.520 1.00 0.00 N ATOM 351 CA GLY A 26 -8.793 4.813 -2.938 1.00 0.00 C ATOM 352 C GLY A 26 -8.382 5.846 -3.982 1.00 0.00 C ATOM 353 O GLY A 26 -7.976 5.498 -5.088 1.00 0.00 O ATOM 0 H GLY A 26 -9.805 3.910 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.274 5.310 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.909 4.309 -2.548 1.00 0.00 H new ATOM 357 N ALA A 27 -8.290 7.095 -3.532 1.00 0.00 N ATOM 358 CA ALA A 27 -7.900 8.197 -4.401 1.00 0.00 C ATOM 359 C ALA A 27 -8.908 8.356 -5.538 1.00 0.00 C ATOM 360 O ALA A 27 -9.905 9.063 -5.397 1.00 0.00 O ATOM 361 CB ALA A 27 -6.494 7.972 -4.944 1.00 0.00 C ATOM 0 H ALA A 27 -8.481 7.367 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.894 9.119 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.217 8.804 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.790 7.907 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.469 7.044 -5.515 1.00 0.00 H new ATOM 367 N GLY A 28 -8.730 7.541 -6.572 1.00 0.00 N ATOM 368 CA GLY A 28 -9.729 7.392 -7.620 1.00 0.00 C ATOM 369 C GLY A 28 -9.646 5.999 -8.239 1.00 0.00 C ATOM 370 O GLY A 28 -9.962 5.813 -9.413 1.00 0.00 O ATOM 0 H GLY A 28 -7.896 6.970 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.725 7.555 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.574 8.149 -8.389 1.00 0.00 H new ATOM 374 N LYS A 29 -9.056 5.077 -7.487 1.00 0.00 N ATOM 375 CA LYS A 29 -8.689 3.770 -8.012 1.00 0.00 C ATOM 376 C LYS A 29 -9.361 2.664 -7.202 1.00 0.00 C ATOM 377 O LYS A 29 -9.154 2.555 -5.995 1.00 0.00 O ATOM 378 CB LYS A 29 -7.175 3.551 -7.991 1.00 0.00 C ATOM 379 CG LYS A 29 -6.481 3.895 -9.309 1.00 0.00 C ATOM 380 CD LYS A 29 -6.743 5.317 -9.767 1.00 0.00 C ATOM 381 CE LYS A 29 -6.020 5.719 -10.985 1.00 0.00 C ATOM 382 NZ LYS A 29 -6.489 4.957 -12.171 1.00 0.00 N ATOM 0 H LYS A 29 -8.821 5.214 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.029 3.735 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.741 4.156 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.972 2.508 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.407 3.748 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.818 3.203 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.812 5.436 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.473 5.999 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.160 6.786 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.951 5.556 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.996 5.299 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.286 3.946 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.514 5.092 -12.287 1.00 0.00 H new ATOM 396 N SER A 30 -10.027 1.761 -7.914 1.00 0.00 N ATOM 397 CA SER A 30 -10.492 0.510 -7.331 1.00 0.00 C ATOM 398 C SER A 30 -9.497 -0.612 -7.619 1.00 0.00 C ATOM 399 O SER A 30 -8.721 -0.532 -8.572 1.00 0.00 O ATOM 400 CB SER A 30 -11.887 0.147 -7.823 1.00 0.00 C ATOM 401 OG SER A 30 -12.829 0.154 -6.765 1.00 0.00 O ATOM 0 H SER A 30 -10.257 1.874 -8.901 1.00 0.00 H new ATOM 0 HA SER A 30 -10.557 0.645 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.198 0.853 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.865 -0.840 -8.286 1.00 0.00 H new ATOM 0 HG SER A 30 -12.455 -0.317 -5.991 1.00 0.00 H new ATOM 407 N TRP A 31 -9.356 -1.503 -6.641 1.00 0.00 N ATOM 408 CA TRP A 31 -8.404 -2.598 -6.730 1.00 0.00 C ATOM 409 C TRP A 31 -9.029 -3.880 -6.166 1.00 0.00 C ATOM 410 O TRP A 31 -10.182 -3.869 -5.740 1.00 0.00 O ATOM 411 CB TRP A 31 -7.078 -2.262 -6.055 1.00 0.00 C ATOM 412 CG TRP A 31 -6.717 -0.816 -6.027 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.458 0.211 -5.504 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.426 -0.258 -6.325 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.750 1.389 -5.565 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.502 1.128 -6.057 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.242 -0.797 -6.816 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.433 1.985 -6.285 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.173 0.051 -7.021 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.267 1.418 -6.776 1.00 0.00 C ATOM 0 H TRP A 31 -9.894 -1.484 -5.775 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.171 -2.764 -7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.110 -2.630 -5.029 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.283 -2.807 -6.565 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.455 0.110 -5.102 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.099 2.307 -5.288 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.161 -1.852 -7.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.507 3.044 -6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.240 -0.356 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.414 2.050 -6.973 1.00 0.00 H new ATOM 431 N HIS A 32 -8.155 -4.839 -5.875 1.00 0.00 N ATOM 432 CA HIS A 32 -8.501 -5.983 -5.045 1.00 0.00 C ATOM 433 C HIS A 32 -7.911 -5.815 -3.645 1.00 0.00 C ATOM 434 O HIS A 32 -6.896 -5.142 -3.473 1.00 0.00 O ATOM 435 CB HIS A 32 -8.028 -7.341 -5.626 1.00 0.00 C ATOM 436 CG HIS A 32 -8.965 -7.877 -6.671 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.635 -7.986 -8.002 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.107 -8.593 -6.509 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.608 -8.629 -8.632 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.480 -9.055 -7.745 1.00 0.00 N ATOM 0 H HIS A 32 -7.191 -4.843 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.590 -6.007 -5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.035 -7.221 -6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.937 -8.067 -4.818 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.782 -7.630 -8.433 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.626 -8.767 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.674 -8.779 -9.700 1.00 0.00 H new ATOM 448 N LYS A 33 -8.432 -6.606 -2.714 1.00 0.00 N ATOM 449 CA LYS A 33 -7.844 -6.725 -1.387 1.00 0.00 C ATOM 450 C LYS A 33 -6.560 -7.548 -1.446 1.00 0.00 C ATOM 451 O LYS A 33 -5.687 -7.410 -0.590 1.00 0.00 O ATOM 452 CB LYS A 33 -8.807 -7.375 -0.392 1.00 0.00 C ATOM 453 CG LYS A 33 -10.190 -6.723 -0.351 1.00 0.00 C ATOM 454 CD LYS A 33 -10.411 -5.874 0.887 1.00 0.00 C ATOM 455 CE LYS A 33 -11.804 -5.453 1.107 1.00 0.00 C ATOM 456 NZ LYS A 33 -11.972 -4.802 2.431 1.00 0.00 N ATOM 0 H LYS A 33 -9.265 -7.177 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.624 -5.714 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.920 -8.429 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.367 -7.334 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.319 -6.102 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.953 -7.500 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.074 -6.434 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.784 -4.985 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.105 -4.762 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.462 -6.319 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.965 -4.517 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.707 -5.470 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.362 -3.962 2.485 1.00 0.00 H new ATOM 470 N SER A 34 -6.356 -8.186 -2.596 1.00 0.00 N ATOM 471 CA SER A 34 -5.158 -8.978 -2.832 1.00 0.00 C ATOM 472 C SER A 34 -4.383 -8.429 -4.028 1.00 0.00 C ATOM 473 O SER A 34 -3.466 -9.076 -4.532 1.00 0.00 O ATOM 474 CB SER A 34 -5.488 -10.452 -3.021 1.00 0.00 C ATOM 475 OG SER A 34 -6.807 -10.747 -2.598 1.00 0.00 O ATOM 0 H SER A 34 -7.009 -8.168 -3.379 1.00 0.00 H new ATOM 0 HA SER A 34 -4.526 -8.901 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.373 -10.720 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.780 -11.060 -2.458 1.00 0.00 H new ATOM 0 HG SER A 34 -6.989 -11.700 -2.734 1.00 0.00 H new ATOM 481 N CYS A 35 -4.614 -7.150 -4.308 1.00 0.00 N ATOM 482 CA CYS A 35 -3.873 -6.441 -5.340 1.00 0.00 C ATOM 483 C CYS A 35 -3.155 -5.232 -4.746 1.00 0.00 C ATOM 484 O CYS A 35 -2.293 -4.635 -5.389 1.00 0.00 O ATOM 485 CB CYS A 35 -4.786 -6.035 -6.497 1.00 0.00 C ATOM 486 SG CYS A 35 -4.914 -7.266 -7.816 1.00 0.00 S ATOM 0 H CYS A 35 -5.314 -6.582 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.119 -7.117 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.783 -5.836 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.419 -5.101 -6.923 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.850 -6.916 -8.647 1.00 0.00 H new ATOM 491 N PHE A 36 -3.637 -4.798 -3.587 1.00 0.00 N ATOM 492 CA PHE A 36 -3.192 -3.548 -2.988 1.00 0.00 C ATOM 493 C PHE A 36 -1.695 -3.607 -2.689 1.00 0.00 C ATOM 494 O PHE A 36 -1.253 -4.411 -1.868 1.00 0.00 O ATOM 495 CB PHE A 36 -3.948 -3.175 -1.688 1.00 0.00 C ATOM 496 CG PHE A 36 -4.542 -1.796 -1.746 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.813 -0.663 -2.104 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.909 -1.677 -1.481 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.416 0.600 -2.104 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.523 -0.435 -1.462 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.780 0.703 -1.784 1.00 0.00 C ATOM 0 H PHE A 36 -4.340 -5.297 -3.042 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.412 -2.774 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.741 -3.902 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.263 -3.237 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.774 -0.761 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.494 -2.564 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.842 1.482 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.567 -0.348 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.259 1.671 -1.787 1.00 0.00 H new ATOM 511 N ARG A 37 -0.923 -2.921 -3.525 1.00 0.00 N ATOM 512 CA ARG A 37 0.519 -3.127 -3.595 1.00 0.00 C ATOM 513 C ARG A 37 1.256 -1.865 -3.158 1.00 0.00 C ATOM 514 O ARG A 37 1.465 -0.949 -3.954 1.00 0.00 O ATOM 515 CB ARG A 37 0.966 -3.527 -5.007 1.00 0.00 C ATOM 516 CG ARG A 37 0.420 -2.642 -6.118 1.00 0.00 C ATOM 517 CD ARG A 37 0.947 -3.046 -7.454 1.00 0.00 C ATOM 518 NE ARG A 37 2.355 -2.708 -7.613 1.00 0.00 N ATOM 519 CZ ARG A 37 3.345 -3.572 -7.377 1.00 0.00 C ATOM 520 NH1 ARG A 37 3.120 -4.745 -6.792 1.00 0.00 N ATOM 521 NH2 ARG A 37 4.594 -3.230 -7.689 1.00 0.00 N ATOM 0 H ARG A 37 -1.275 -2.212 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 37 0.767 -3.945 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.055 -3.509 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.657 -4.555 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.669 -2.696 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.686 -1.604 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.815 -4.120 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.366 -2.556 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 37 2.596 -1.766 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.173 -5.002 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.894 -5.387 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.785 -2.317 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.360 -3.881 -7.514 1.00 0.00 H new ATOM 535 N CYS A 38 1.757 -1.889 -1.928 1.00 0.00 N ATOM 536 CA CYS A 38 2.768 -0.926 -1.491 1.00 0.00 C ATOM 537 C CYS A 38 4.037 -1.099 -2.334 1.00 0.00 C ATOM 538 O CYS A 38 4.880 -1.940 -1.994 1.00 0.00 O ATOM 539 CB CYS A 38 3.048 -1.087 -0.002 1.00 0.00 C ATOM 540 SG CYS A 38 4.064 0.215 0.736 1.00 0.00 S ATOM 0 H CYS A 38 1.481 -2.563 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 38 2.397 0.088 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.096 -1.127 0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.542 -2.045 0.157 1.00 0.00 H new ATOM 0 HG CYS A 38 3.853 0.256 2.018 1.00 0.00 H new ATOM 545 N ALA A 39 4.351 -0.041 -3.079 1.00 0.00 N ATOM 546 CA ALA A 39 5.633 0.078 -3.758 1.00 0.00 C ATOM 547 C ALA A 39 6.607 0.899 -2.915 1.00 0.00 C ATOM 548 O ALA A 39 7.513 1.539 -3.450 1.00 0.00 O ATOM 549 CB ALA A 39 5.444 0.699 -5.139 1.00 0.00 C ATOM 0 H ALA A 39 3.726 0.752 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 39 6.057 -0.918 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.411 0.782 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.783 0.069 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.003 1.690 -5.035 1.00 0.00 H new ATOM 555 N LYS A 40 6.589 0.626 -1.611 1.00 0.00 N ATOM 556 CA LYS A 40 7.437 1.344 -0.672 1.00 0.00 C ATOM 557 C LYS A 40 8.197 0.367 0.218 1.00 0.00 C ATOM 558 O LYS A 40 9.418 0.445 0.345 1.00 0.00 O ATOM 559 CB LYS A 40 6.632 2.300 0.211 1.00 0.00 C ATOM 560 CG LYS A 40 7.414 3.536 0.658 1.00 0.00 C ATOM 561 CD LYS A 40 8.657 3.194 1.460 1.00 0.00 C ATOM 562 CE LYS A 40 8.936 4.099 2.585 1.00 0.00 C ATOM 563 NZ LYS A 40 9.707 3.416 3.655 1.00 0.00 N ATOM 0 H LYS A 40 5.996 -0.087 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 40 8.139 1.930 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.744 2.621 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.288 1.761 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.703 4.114 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.764 4.172 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.555 2.179 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.516 3.196 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.495 4.964 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.997 4.473 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.887 4.082 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.162 2.606 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.613 3.081 3.270 1.00 0.00 H new ATOM 577 N CYS A 41 7.454 -0.532 0.860 1.00 0.00 N ATOM 578 CA CYS A 41 8.061 -1.722 1.455 1.00 0.00 C ATOM 579 C CYS A 41 8.022 -2.881 0.461 1.00 0.00 C ATOM 580 O CYS A 41 8.864 -3.778 0.516 1.00 0.00 O ATOM 581 CB CYS A 41 7.437 -2.071 2.793 1.00 0.00 C ATOM 582 SG CYS A 41 5.664 -2.404 2.779 1.00 0.00 S ATOM 0 H CYS A 41 6.444 -0.462 0.981 1.00 0.00 H new ATOM 0 HA CYS A 41 9.108 -1.507 1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.948 -2.948 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.626 -1.250 3.485 1.00 0.00 H new ATOM 0 HG CYS A 41 5.061 -1.512 2.051 1.00 0.00 H new ATOM 587 N GLY A 42 7.262 -2.668 -0.612 1.00 0.00 N ATOM 588 CA GLY A 42 7.300 -3.535 -1.778 1.00 0.00 C ATOM 589 C GLY A 42 6.361 -4.724 -1.589 1.00 0.00 C ATOM 590 O GLY A 42 6.562 -5.783 -2.181 1.00 0.00 O ATOM 0 H GLY A 42 6.606 -1.891 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.011 -2.973 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.318 -3.890 -1.942 1.00 0.00 H new ATOM 594 N LYS A 43 5.436 -4.579 -0.644 1.00 0.00 N ATOM 595 CA LYS A 43 4.689 -5.716 -0.120 1.00 0.00 C ATOM 596 C LYS A 43 3.245 -5.676 -0.615 1.00 0.00 C ATOM 597 O LYS A 43 2.635 -4.611 -0.701 1.00 0.00 O ATOM 598 CB LYS A 43 4.689 -5.741 1.409 1.00 0.00 C ATOM 599 CG LYS A 43 4.291 -7.091 2.007 1.00 0.00 C ATOM 600 CD LYS A 43 5.433 -8.089 2.037 1.00 0.00 C ATOM 601 CE LYS A 43 5.066 -9.462 1.657 1.00 0.00 C ATOM 602 NZ LYS A 43 4.003 -10.004 2.541 1.00 0.00 N ATOM 0 H LYS A 43 5.186 -3.683 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 43 5.184 -6.618 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.684 -5.475 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.004 -4.976 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.924 -6.938 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.467 -7.509 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.219 -7.740 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.855 -8.106 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.723 -9.475 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.946 -10.103 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.839 -11.005 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.301 -9.919 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.124 -9.467 2.396 1.00 0.00 H new ATOM 616 N SER A 44 2.667 -6.860 -0.801 1.00 0.00 N ATOM 617 CA SER A 44 1.211 -7.005 -0.822 1.00 0.00 C ATOM 618 C SER A 44 0.651 -6.778 0.585 1.00 0.00 C ATOM 619 O SER A 44 1.349 -7.015 1.573 1.00 0.00 O ATOM 620 CB SER A 44 0.792 -8.358 -1.371 1.00 0.00 C ATOM 621 OG SER A 44 0.129 -8.234 -2.618 1.00 0.00 O ATOM 0 H SER A 44 3.181 -7.730 -0.939 1.00 0.00 H new ATOM 0 HA SER A 44 0.797 -6.251 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.671 -8.992 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.134 -8.853 -0.657 1.00 0.00 H new ATOM 0 HG SER A 44 -0.125 -9.123 -2.943 1.00 0.00 H new ATOM 627 N LEU A 45 -0.470 -6.062 0.654 1.00 0.00 N ATOM 628 CA LEU A 45 -0.871 -5.352 1.852 1.00 0.00 C ATOM 629 C LEU A 45 -1.996 -6.103 2.585 1.00 0.00 C ATOM 630 O LEU A 45 -2.444 -7.148 2.121 1.00 0.00 O ATOM 631 CB LEU A 45 -1.285 -3.928 1.457 1.00 0.00 C ATOM 632 CG LEU A 45 -0.512 -2.753 2.002 1.00 0.00 C ATOM 633 CD1 LEU A 45 -1.328 -1.468 1.824 1.00 0.00 C ATOM 634 CD2 LEU A 45 -0.179 -2.945 3.474 1.00 0.00 C ATOM 0 H LEU A 45 -1.122 -5.962 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.037 -5.294 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.249 -3.867 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.327 -3.798 1.749 1.00 0.00 H new ATOM 0 HG LEU A 45 0.423 -2.677 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.765 -0.622 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.528 -1.308 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.272 -1.559 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.378 -2.081 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.102 -3.048 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.425 -3.844 3.596 1.00 0.00 H new ATOM 646 N GLU A 46 -2.645 -5.360 3.480 1.00 0.00 N ATOM 647 CA GLU A 46 -3.887 -5.810 4.096 1.00 0.00 C ATOM 648 C GLU A 46 -5.050 -4.931 3.636 1.00 0.00 C ATOM 649 O GLU A 46 -5.034 -4.398 2.529 1.00 0.00 O ATOM 650 CB GLU A 46 -3.709 -5.756 5.608 1.00 0.00 C ATOM 651 CG GLU A 46 -2.381 -6.239 6.130 1.00 0.00 C ATOM 652 CD GLU A 46 -2.384 -7.427 7.051 1.00 0.00 C ATOM 653 OE1 GLU A 46 -3.151 -7.556 7.990 1.00 0.00 O ATOM 654 OE2 GLU A 46 -1.398 -8.171 6.857 1.00 0.00 O ATOM 0 H GLU A 46 -2.329 -4.442 3.794 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.118 -6.832 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.854 -4.726 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.497 -6.351 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.751 -6.480 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.904 -5.410 6.653 1.00 0.00 H new ATOM 661 N SER A 47 -6.119 -4.950 4.424 1.00 0.00 N ATOM 662 CA SER A 47 -7.390 -4.371 4.015 1.00 0.00 C ATOM 663 C SER A 47 -7.488 -2.921 4.482 1.00 0.00 C ATOM 664 O SER A 47 -7.814 -2.030 3.700 1.00 0.00 O ATOM 665 CB SER A 47 -8.568 -5.194 4.521 1.00 0.00 C ATOM 666 OG SER A 47 -8.765 -5.015 5.912 1.00 0.00 O ATOM 0 H SER A 47 -6.128 -5.364 5.356 1.00 0.00 H new ATOM 0 HA SER A 47 -7.433 -4.385 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.472 -4.906 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.394 -6.249 4.310 1.00 0.00 H new ATOM 0 HG SER A 47 -9.529 -5.554 6.206 1.00 0.00 H new ATOM 672 N THR A 48 -7.373 -2.739 5.793 1.00 0.00 N ATOM 673 CA THR A 48 -7.655 -1.456 6.422 1.00 0.00 C ATOM 674 C THR A 48 -6.368 -0.822 6.940 1.00 0.00 C ATOM 675 O THR A 48 -6.383 -0.080 7.920 1.00 0.00 O ATOM 676 CB THR A 48 -8.715 -1.603 7.594 1.00 0.00 C ATOM 677 OG1 THR A 48 -8.258 -2.702 8.432 1.00 0.00 O ATOM 678 CG2 THR A 48 -10.153 -1.780 7.111 1.00 0.00 C ATOM 0 H THR A 48 -7.084 -3.470 6.443 1.00 0.00 H new ATOM 0 HA THR A 48 -8.088 -0.802 5.665 1.00 0.00 H new ATOM 0 HB THR A 48 -8.763 -0.676 8.165 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.884 -2.829 9.175 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.817 -1.873 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.447 -0.914 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.223 -2.679 6.499 1.00 0.00 H new ATOM 686 N THR A 49 -5.320 -0.936 6.128 1.00 0.00 N ATOM 687 CA THR A 49 -4.033 -0.335 6.446 1.00 0.00 C ATOM 688 C THR A 49 -3.276 0.013 5.170 1.00 0.00 C ATOM 689 O THR A 49 -2.354 -0.689 4.765 1.00 0.00 O ATOM 690 CB THR A 49 -3.162 -1.278 7.378 1.00 0.00 C ATOM 691 OG1 THR A 49 -3.155 -2.588 6.728 1.00 0.00 O ATOM 692 CG2 THR A 49 -3.663 -1.354 8.820 1.00 0.00 C ATOM 0 H THR A 49 -5.340 -1.442 5.242 1.00 0.00 H new ATOM 0 HA THR A 49 -4.224 0.585 6.999 1.00 0.00 H new ATOM 0 HB THR A 49 -2.155 -0.873 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.836 -2.494 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.017 -2.017 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.648 -0.358 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.682 -1.741 8.831 1.00 0.00 H new ATOM 700 N LEU A 50 -3.671 1.127 4.562 1.00 0.00 N ATOM 701 CA LEU A 50 -3.095 1.560 3.298 1.00 0.00 C ATOM 702 C LEU A 50 -3.168 3.079 3.170 1.00 0.00 C ATOM 703 O LEU A 50 -4.017 3.721 3.789 1.00 0.00 O ATOM 704 CB LEU A 50 -3.814 0.809 2.167 1.00 0.00 C ATOM 705 CG LEU A 50 -5.238 1.236 1.857 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.271 2.258 0.730 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.046 0.001 1.470 1.00 0.00 C ATOM 0 H LEU A 50 -4.392 1.748 4.929 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.034 1.317 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.222 0.916 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.825 -0.252 2.417 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.670 1.705 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.303 2.545 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.699 3.139 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.835 1.823 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.072 0.293 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.600 -0.465 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.044 -0.709 2.297 1.00 0.00 H new ATOM 719 N ALA A 51 -2.438 3.597 2.187 1.00 0.00 N ATOM 720 CA ALA A 51 -2.413 5.028 1.923 1.00 0.00 C ATOM 721 C ALA A 51 -2.266 5.287 0.424 1.00 0.00 C ATOM 722 O ALA A 51 -1.183 5.129 -0.136 1.00 0.00 O ATOM 723 CB ALA A 51 -1.286 5.693 2.705 1.00 0.00 C ATOM 0 H ALA A 51 -1.855 3.043 1.559 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.356 5.463 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.281 6.763 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.439 5.532 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.331 5.260 2.406 1.00 0.00 H new ATOM 729 N ASP A 52 -3.310 5.871 -0.154 1.00 0.00 N ATOM 730 CA ASP A 52 -3.268 6.342 -1.529 1.00 0.00 C ATOM 731 C ASP A 52 -2.685 7.751 -1.592 1.00 0.00 C ATOM 732 O ASP A 52 -2.526 8.412 -0.568 1.00 0.00 O ATOM 733 CB ASP A 52 -4.624 6.196 -2.218 1.00 0.00 C ATOM 734 CG ASP A 52 -5.766 6.807 -1.429 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.081 7.996 -1.586 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.368 6.043 -0.645 1.00 0.00 O ATOM 0 H ASP A 52 -4.202 6.029 0.315 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.593 5.706 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.577 6.666 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.829 5.138 -2.381 1.00 0.00 H new ATOM 741 N LYS A 53 -2.233 8.127 -2.784 1.00 0.00 N ATOM 742 CA LYS A 53 -1.448 9.342 -2.963 1.00 0.00 C ATOM 743 C LYS A 53 -1.159 9.575 -4.441 1.00 0.00 C ATOM 744 O LYS A 53 -0.201 9.038 -4.991 1.00 0.00 O ATOM 745 CB LYS A 53 -0.124 9.280 -2.199 1.00 0.00 C ATOM 746 CG LYS A 53 0.479 10.652 -1.893 1.00 0.00 C ATOM 747 CD LYS A 53 1.934 10.768 -2.307 1.00 0.00 C ATOM 748 CE LYS A 53 2.151 11.061 -3.732 1.00 0.00 C ATOM 749 NZ LYS A 53 1.660 12.417 -4.089 1.00 0.00 N ATOM 0 H LYS A 53 -2.398 7.604 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.039 10.167 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.281 8.746 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.593 8.700 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.101 11.420 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.395 10.849 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.404 11.553 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.442 9.835 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.214 10.985 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.639 10.315 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.005 12.673 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.620 12.421 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.011 13.107 -3.395 1.00 0.00 H new ATOM 763 N ASP A 54 -1.976 10.423 -5.056 1.00 0.00 N ATOM 764 CA ASP A 54 -1.724 10.889 -6.412 1.00 0.00 C ATOM 765 C ASP A 54 -1.713 9.715 -7.386 1.00 0.00 C ATOM 766 O ASP A 54 -1.294 9.850 -8.533 1.00 0.00 O ATOM 767 CB ASP A 54 -0.479 11.770 -6.482 1.00 0.00 C ATOM 768 CG ASP A 54 -0.762 13.233 -6.197 1.00 0.00 C ATOM 769 OD1 ASP A 54 -1.834 13.687 -6.652 1.00 0.00 O ATOM 770 OD2 ASP A 54 0.024 13.911 -5.521 1.00 0.00 O ATOM 0 H ASP A 54 -2.823 10.803 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.544 11.536 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.257 11.404 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.034 11.680 -7.473 1.00 0.00 H new ATOM 775 N GLY A 55 -2.278 8.599 -6.939 1.00 0.00 N ATOM 776 CA GLY A 55 -2.523 7.457 -7.810 1.00 0.00 C ATOM 777 C GLY A 55 -1.559 6.322 -7.482 1.00 0.00 C ATOM 778 O GLY A 55 -1.863 5.150 -7.699 1.00 0.00 O ATOM 0 H GLY A 55 -2.576 8.461 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.551 7.115 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.404 7.754 -8.852 1.00 0.00 H new ATOM 782 N GLU A 56 -0.426 6.686 -6.888 1.00 0.00 N ATOM 783 CA GLU A 56 0.471 5.708 -6.283 1.00 0.00 C ATOM 784 C GLU A 56 0.322 5.742 -4.757 1.00 0.00 C ATOM 785 O GLU A 56 -0.436 6.555 -4.227 1.00 0.00 O ATOM 786 CB GLU A 56 1.891 6.040 -6.714 1.00 0.00 C ATOM 787 CG GLU A 56 2.856 4.884 -6.750 1.00 0.00 C ATOM 788 CD GLU A 56 4.019 4.977 -7.699 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.688 6.017 -7.518 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.370 4.069 -8.434 1.00 0.00 O ATOM 0 H GLU A 56 -0.108 7.652 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 56 0.225 4.698 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.853 6.487 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.287 6.798 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.253 4.747 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.293 3.984 -6.996 1.00 0.00 H new ATOM 797 N ILE A 57 0.843 4.705 -4.109 1.00 0.00 N ATOM 798 CA ILE A 57 0.388 4.327 -2.771 1.00 0.00 C ATOM 799 C ILE A 57 1.538 3.726 -1.969 1.00 0.00 C ATOM 800 O ILE A 57 2.231 2.825 -2.441 1.00 0.00 O ATOM 801 CB ILE A 57 -0.837 3.344 -2.881 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.369 2.007 -3.514 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.024 3.964 -3.654 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.470 0.923 -3.607 1.00 0.00 C ATOM 0 H ILE A 57 1.580 4.110 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 57 0.053 5.215 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.211 3.148 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.012 2.207 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.462 1.614 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.842 3.246 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.361 4.865 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.706 4.219 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.057 0.023 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.836 0.690 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.294 1.292 -4.218 1.00 0.00 H new ATOM 816 N TYR A 58 1.628 4.118 -0.700 1.00 0.00 N ATOM 817 CA TYR A 58 2.316 3.300 0.305 1.00 0.00 C ATOM 818 C TYR A 58 1.379 3.045 1.485 1.00 0.00 C ATOM 819 O TYR A 58 0.211 3.439 1.448 1.00 0.00 O ATOM 820 CB TYR A 58 3.622 3.967 0.761 1.00 0.00 C ATOM 821 CG TYR A 58 3.500 5.451 1.046 1.00 0.00 C ATOM 822 CD1 TYR A 58 3.322 6.352 -0.005 1.00 0.00 C ATOM 823 CD2 TYR A 58 3.327 5.923 2.350 1.00 0.00 C ATOM 824 CE1 TYR A 58 3.101 7.705 0.231 1.00 0.00 C ATOM 825 CE2 TYR A 58 3.107 7.276 2.605 1.00 0.00 C ATOM 826 CZ TYR A 58 2.961 8.158 1.536 1.00 0.00 C ATOM 827 OH TYR A 58 2.708 9.488 1.729 1.00 0.00 O ATOM 0 H TYR A 58 1.238 4.990 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 58 2.585 2.342 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.978 3.465 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.380 3.818 -0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.357 5.991 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.364 5.227 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.039 8.398 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.050 7.637 3.621 1.00 0.00 H new ATOM 0 HH TYR A 58 2.632 9.671 2.689 1.00 0.00 H new ATOM 837 N CYS A 59 1.837 2.245 2.453 1.00 0.00 N ATOM 838 CA CYS A 59 0.910 1.422 3.240 1.00 0.00 C ATOM 839 C CYS A 59 0.797 1.911 4.667 1.00 0.00 C ATOM 840 O CYS A 59 1.593 2.742 5.128 1.00 0.00 O ATOM 841 CB CYS A 59 1.159 -0.055 3.068 1.00 0.00 C ATOM 842 SG CYS A 59 2.515 -0.845 3.916 1.00 0.00 S ATOM 0 H CYS A 59 2.820 2.149 2.708 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.092 1.555 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.247 -0.573 3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.295 -0.237 2.002 1.00 0.00 H new ATOM 0 HG CYS A 59 3.540 -0.046 3.933 1.00 0.00 H new ATOM 847 N LYS A 60 -0.399 1.712 5.250 1.00 0.00 N ATOM 848 CA LYS A 60 -0.556 1.899 6.692 1.00 0.00 C ATOM 849 C LYS A 60 0.144 0.762 7.444 1.00 0.00 C ATOM 850 O LYS A 60 0.606 0.962 8.572 1.00 0.00 O ATOM 851 CB LYS A 60 -2.025 1.935 7.103 1.00 0.00 C ATOM 852 CG LYS A 60 -2.352 2.998 8.155 1.00 0.00 C ATOM 853 CD LYS A 60 -3.554 3.848 7.787 1.00 0.00 C ATOM 854 CE LYS A 60 -4.854 3.174 7.924 1.00 0.00 C ATOM 855 NZ LYS A 60 -5.750 3.905 8.857 1.00 0.00 N ATOM 0 H LYS A 60 -1.246 1.430 4.756 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.104 2.858 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.635 2.115 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.307 0.956 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.539 2.509 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.485 3.645 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.556 4.740 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.442 4.183 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.330 3.097 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.702 2.157 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.658 3.403 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.306 3.957 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.914 4.867 8.498 1.00 0.00 H new ATOM 869 N GLY A 61 0.559 -0.239 6.672 1.00 0.00 N ATOM 870 CA GLY A 61 1.554 -1.209 7.099 1.00 0.00 C ATOM 871 C GLY A 61 2.914 -0.560 7.297 1.00 0.00 C ATOM 872 O GLY A 61 3.803 -1.131 7.935 1.00 0.00 O ATOM 0 H GLY A 61 0.210 -0.398 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.233 -1.675 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.633 -2.002 6.356 1.00 0.00 H new ATOM 876 N CYS A 62 3.000 0.729 6.962 1.00 0.00 N ATOM 877 CA CYS A 62 4.305 1.384 6.832 1.00 0.00 C ATOM 878 C CYS A 62 4.354 2.570 7.812 1.00 0.00 C ATOM 879 O CYS A 62 5.092 2.516 8.796 1.00 0.00 O ATOM 880 CB CYS A 62 4.538 1.862 5.405 1.00 0.00 C ATOM 881 SG CYS A 62 5.724 0.893 4.442 1.00 0.00 S ATOM 0 H CYS A 62 2.198 1.332 6.778 1.00 0.00 H new ATOM 0 HA CYS A 62 5.094 0.671 7.069 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.583 1.861 4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.882 2.896 5.438 1.00 0.00 H new ATOM 0 HG CYS A 62 5.831 1.399 3.249 1.00 0.00 H new ATOM 886 N TYR A 63 3.292 3.372 7.748 1.00 0.00 N ATOM 887 CA TYR A 63 2.976 4.329 8.797 1.00 0.00 C ATOM 888 C TYR A 63 2.754 3.607 10.127 1.00 0.00 C ATOM 889 O TYR A 63 2.967 4.185 11.192 1.00 0.00 O ATOM 890 CB TYR A 63 1.740 5.176 8.423 1.00 0.00 C ATOM 891 CG TYR A 63 2.046 6.626 8.129 1.00 0.00 C ATOM 892 CD1 TYR A 63 2.716 7.009 6.965 1.00 0.00 C ATOM 893 CD2 TYR A 63 1.671 7.625 9.028 1.00 0.00 C ATOM 894 CE1 TYR A 63 2.974 8.349 6.686 1.00 0.00 C ATOM 895 CE2 TYR A 63 1.928 8.967 8.771 1.00 0.00 C ATOM 896 CZ TYR A 63 2.574 9.326 7.596 1.00 0.00 C ATOM 897 OH TYR A 63 2.829 10.653 7.385 1.00 0.00 O ATOM 0 H TYR A 63 2.632 3.374 6.970 1.00 0.00 H new ATOM 0 HA TYR A 63 3.824 5.006 8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.262 4.733 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.020 5.127 9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.041 6.251 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.170 7.350 9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.479 8.628 5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.627 9.724 9.480 1.00 0.00 H new ATOM 0 HH TYR A 63 2.471 11.178 8.131 1.00 0.00 H new ATOM 907 N ALA A 64 2.605 2.289 10.032 1.00 0.00 N ATOM 908 CA ALA A 64 2.668 1.415 11.194 1.00 0.00 C ATOM 909 C ALA A 64 4.117 1.040 11.498 1.00 0.00 C ATOM 910 O ALA A 64 4.616 1.299 12.592 1.00 0.00 O ATOM 911 CB ALA A 64 1.816 0.169 10.968 1.00 0.00 C ATOM 0 H ALA A 64 2.438 1.801 9.152 1.00 0.00 H new ATOM 0 HA ALA A 64 2.267 1.947 12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.873 -0.475 11.846 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.780 0.462 10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.186 -0.372 10.097 1.00 0.00 H new ATOM 917 N LYS A 65 4.731 0.324 10.564 1.00 0.00 N ATOM 918 CA LYS A 65 6.002 -0.343 10.817 1.00 0.00 C ATOM 919 C LYS A 65 7.076 0.678 11.180 1.00 0.00 C ATOM 920 O LYS A 65 8.071 0.344 11.821 1.00 0.00 O ATOM 921 CB LYS A 65 6.473 -1.151 9.606 1.00 0.00 C ATOM 922 CG LYS A 65 6.434 -2.665 9.818 1.00 0.00 C ATOM 923 CD LYS A 65 5.258 -3.333 9.129 1.00 0.00 C ATOM 924 CE LYS A 65 5.061 -4.749 9.475 1.00 0.00 C ATOM 925 NZ LYS A 65 6.357 -5.458 9.624 1.00 0.00 N ATOM 0 H LYS A 65 4.367 0.190 9.621 1.00 0.00 H new ATOM 0 HA LYS A 65 5.842 -1.028 11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.850 -0.898 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.492 -0.855 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.361 -3.102 9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.388 -2.875 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.350 -2.784 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.394 -3.253 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.496 -4.822 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.466 -5.234 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.192 -6.485 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.980 -5.213 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.808 -5.174 10.517 1.00 0.00 H new ATOM 939 N ASN A 66 6.744 1.947 10.956 1.00 0.00 N ATOM 940 CA ASN A 66 7.644 3.044 11.281 1.00 0.00 C ATOM 941 C ASN A 66 7.673 3.282 12.787 1.00 0.00 C ATOM 942 O ASN A 66 8.679 3.724 13.338 1.00 0.00 O ATOM 943 CB ASN A 66 7.332 4.292 10.457 1.00 0.00 C ATOM 944 CG ASN A 66 8.288 4.498 9.297 1.00 0.00 C ATOM 945 OD1 ASN A 66 8.811 3.397 8.760 1.00 0.00 O flip ATOM 946 ND2 ASN A 66 8.577 5.640 8.910 1.00 0.00 N flip ATOM 0 H ASN A 66 5.855 2.239 10.549 1.00 0.00 H new ATOM 0 HA ASN A 66 8.659 2.767 10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.315 4.220 10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.366 5.166 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.149 6.452 9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.243 5.767 8.148 1.00 0.00 H new