USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=18 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 38 CYS SG : rot 140:sc= 0.791 USER MOD Set 1.2: A 41 CYS SG : rot -52:sc= 0.0224 USER MOD Set 1.3: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 59 CYS SG : rot -44:sc= -3.63! USER MOD Set 1.5: A 62 CYS SG : rot -154:sc= 1.16 USER MOD Set 2.1: A 11 CYS SG : rot 138:sc= -0.21 USER MOD Set 2.2: A 14 CYS SG : rot -47:sc= 0.211 USER MOD Set 2.3: A 32 HIS : no HE2:sc= -11.4! C(o=-12!,f=-19!) USER MOD Set 2.4: A 35 CYS SG : rot 169:sc= -0.523 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 94:sc= 0.723 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -0.131 (180deg=-0.965) USER MOD Single : A 44 SER OG : rot 180:sc= -0.647 USER MOD Single : A 47 SER OG : rot -17:sc= 1.03 USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.926 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0467 K(o=-0.047,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -13.461 -2.408 -10.286 1.00 0.00 N ATOM 123 CA GLY A 10 -12.700 -3.540 -10.791 1.00 0.00 C ATOM 124 C GLY A 10 -11.208 -3.194 -10.861 1.00 0.00 C ATOM 125 O GLY A 10 -10.738 -2.330 -10.117 1.00 0.00 O ATOM 0 HA2 GLY A 10 -12.849 -4.404 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.062 -3.817 -11.781 1.00 0.00 H new ATOM 129 N CYS A 11 -10.448 -4.053 -11.537 1.00 0.00 N ATOM 130 CA CYS A 11 -9.029 -4.259 -11.181 1.00 0.00 C ATOM 131 C CYS A 11 -8.221 -4.450 -12.478 1.00 0.00 C ATOM 132 O CYS A 11 -8.087 -5.582 -12.985 1.00 0.00 O ATOM 133 CB CYS A 11 -8.904 -5.467 -10.267 1.00 0.00 C ATOM 134 SG CYS A 11 -7.385 -5.554 -9.293 1.00 0.00 S ATOM 0 H CYS A 11 -10.776 -4.614 -12.323 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.637 -3.394 -10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.753 -5.473 -9.584 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.977 -6.369 -10.874 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.667 -5.936 -8.083 1.00 0.00 H new ATOM 139 N PRO A 12 -7.450 -3.404 -12.835 1.00 0.00 N ATOM 140 CA PRO A 12 -6.370 -3.505 -13.852 1.00 0.00 C ATOM 141 C PRO A 12 -5.293 -4.528 -13.494 1.00 0.00 C ATOM 142 O PRO A 12 -4.404 -4.811 -14.296 1.00 0.00 O ATOM 143 CB PRO A 12 -5.817 -2.100 -14.037 1.00 0.00 C ATOM 144 CG PRO A 12 -6.533 -1.167 -13.107 1.00 0.00 C ATOM 145 CD PRO A 12 -7.394 -2.048 -12.212 1.00 0.00 C ATOM 0 HA PRO A 12 -6.773 -3.885 -14.791 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.746 -2.087 -13.833 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.948 -1.777 -15.070 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.825 -0.584 -12.517 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.146 -0.457 -13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.971 -2.104 -11.209 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.396 -1.630 -12.113 1.00 0.00 H new ATOM 153 N ARG A 13 -5.303 -4.950 -12.234 1.00 0.00 N ATOM 154 CA ARG A 13 -4.193 -5.704 -11.667 1.00 0.00 C ATOM 155 C ARG A 13 -4.312 -7.181 -12.029 1.00 0.00 C ATOM 156 O ARG A 13 -3.367 -7.778 -12.544 1.00 0.00 O ATOM 157 CB ARG A 13 -4.121 -5.547 -10.142 1.00 0.00 C ATOM 158 CG ARG A 13 -2.727 -5.707 -9.554 1.00 0.00 C ATOM 159 CD ARG A 13 -1.758 -4.754 -10.168 1.00 0.00 C ATOM 160 NE ARG A 13 -0.539 -5.417 -10.606 1.00 0.00 N ATOM 161 CZ ARG A 13 0.284 -4.908 -11.526 1.00 0.00 C ATOM 162 NH1 ARG A 13 -0.039 -3.824 -12.225 1.00 0.00 N ATOM 163 NH2 ARG A 13 1.460 -5.497 -11.745 1.00 0.00 N ATOM 0 H ARG A 13 -6.071 -4.781 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.274 -5.300 -12.092 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.504 -4.563 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.781 -6.282 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.765 -5.544 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.381 -6.729 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.227 -4.259 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.508 -3.977 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.301 -6.317 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.934 -3.361 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.608 -3.455 -12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.722 -6.327 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.098 -5.118 -12.445 1.00 0.00 H new ATOM 177 N CYS A 14 -5.371 -7.802 -11.511 1.00 0.00 N ATOM 178 CA CYS A 14 -5.599 -9.224 -11.720 1.00 0.00 C ATOM 179 C CYS A 14 -6.444 -9.456 -12.968 1.00 0.00 C ATOM 180 O CYS A 14 -6.487 -10.561 -13.505 1.00 0.00 O ATOM 181 CB CYS A 14 -6.196 -9.888 -10.486 1.00 0.00 C ATOM 182 SG CYS A 14 -7.751 -9.182 -9.903 1.00 0.00 S ATOM 0 H CYS A 14 -6.082 -7.340 -10.944 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.633 -9.700 -11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.355 -10.944 -10.704 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.467 -9.835 -9.677 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.649 -7.887 -9.856 1.00 0.00 H new ATOM 187 N GLY A 15 -7.268 -8.460 -13.285 1.00 0.00 N ATOM 188 CA GLY A 15 -8.109 -8.513 -14.472 1.00 0.00 C ATOM 189 C GLY A 15 -9.494 -9.051 -14.120 1.00 0.00 C ATOM 190 O GLY A 15 -10.286 -9.374 -15.005 1.00 0.00 O ATOM 0 H GLY A 15 -7.369 -7.607 -12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.198 -7.517 -14.907 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.645 -9.150 -15.226 1.00 0.00 H new ATOM 194 N GLN A 16 -9.816 -9.003 -12.832 1.00 0.00 N ATOM 195 CA GLN A 16 -11.181 -9.219 -12.371 1.00 0.00 C ATOM 196 C GLN A 16 -11.892 -7.881 -12.183 1.00 0.00 C ATOM 197 O GLN A 16 -11.323 -6.825 -12.453 1.00 0.00 O ATOM 198 CB GLN A 16 -11.246 -10.059 -11.093 1.00 0.00 C ATOM 199 CG GLN A 16 -11.656 -11.500 -11.329 1.00 0.00 C ATOM 200 CD GLN A 16 -11.993 -12.235 -10.056 1.00 0.00 C ATOM 201 OE1 GLN A 16 -11.388 -12.029 -9.006 1.00 0.00 O ATOM 202 NE2 GLN A 16 -12.929 -13.174 -10.175 1.00 0.00 N ATOM 0 H GLN A 16 -9.146 -8.815 -12.086 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.697 -9.791 -13.142 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.270 -10.043 -10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.952 -9.598 -10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.520 -11.522 -11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.847 -12.023 -11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.405 -13.309 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.170 -13.758 -9.374 1.00 0.00 H new ATOM 211 N ALA A 17 -13.060 -7.938 -11.551 1.00 0.00 N ATOM 212 CA ALA A 17 -13.700 -6.750 -11.003 1.00 0.00 C ATOM 213 C ALA A 17 -14.808 -7.151 -10.024 1.00 0.00 C ATOM 214 O ALA A 17 -15.285 -8.287 -10.060 1.00 0.00 O ATOM 215 CB ALA A 17 -14.250 -5.876 -12.122 1.00 0.00 C ATOM 0 H ALA A 17 -13.584 -8.801 -11.406 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.956 -6.169 -10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.725 -4.993 -11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.435 -5.568 -12.777 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.985 -6.440 -12.697 1.00 0.00 H new ATOM 221 N VAL A 18 -15.002 -6.315 -9.007 1.00 0.00 N ATOM 222 CA VAL A 18 -15.612 -6.759 -7.753 1.00 0.00 C ATOM 223 C VAL A 18 -16.447 -5.643 -7.142 1.00 0.00 C ATOM 224 O VAL A 18 -16.069 -4.474 -7.165 1.00 0.00 O ATOM 225 CB VAL A 18 -14.529 -7.317 -6.809 1.00 0.00 C ATOM 226 CG1 VAL A 18 -15.104 -7.797 -5.481 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.721 -8.420 -7.475 1.00 0.00 C ATOM 0 H VAL A 18 -14.747 -5.328 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.305 -7.578 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.857 -6.487 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.299 -8.180 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.594 -6.965 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.830 -8.589 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.967 -8.789 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.385 -9.237 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.231 -8.025 -8.365 1.00 0.00 H new ATOM 237 N TYR A 19 -17.589 -6.028 -6.580 1.00 0.00 N ATOM 238 CA TYR A 19 -18.382 -5.133 -5.752 1.00 0.00 C ATOM 239 C TYR A 19 -18.456 -5.657 -4.319 1.00 0.00 C ATOM 240 O TYR A 19 -18.926 -4.960 -3.421 1.00 0.00 O ATOM 241 CB TYR A 19 -19.799 -4.944 -6.337 1.00 0.00 C ATOM 242 CG TYR A 19 -20.198 -3.501 -6.544 1.00 0.00 C ATOM 243 CD1 TYR A 19 -19.278 -2.580 -7.048 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.518 -3.078 -6.363 1.00 0.00 C ATOM 245 CE1 TYR A 19 -19.646 -1.268 -7.331 1.00 0.00 C ATOM 246 CE2 TYR A 19 -21.904 -1.769 -6.645 1.00 0.00 C ATOM 247 CZ TYR A 19 -20.960 -0.868 -7.136 1.00 0.00 C ATOM 248 OH TYR A 19 -21.300 0.409 -7.489 1.00 0.00 O ATOM 0 H TYR A 19 -17.986 -6.962 -6.686 1.00 0.00 H new ATOM 0 HA TYR A 19 -17.892 -4.159 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.858 -5.466 -7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -20.521 -5.417 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.259 -2.892 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.253 -3.780 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.913 -0.566 -7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.925 -1.455 -6.485 1.00 0.00 H new ATOM 0 HH TYR A 19 -22.250 0.558 -7.301 1.00 0.00 H new ATOM 258 N ALA A 20 -18.158 -6.943 -4.163 1.00 0.00 N ATOM 259 CA ALA A 20 -18.542 -7.681 -2.961 1.00 0.00 C ATOM 260 C ALA A 20 -17.583 -8.847 -2.732 1.00 0.00 C ATOM 261 O ALA A 20 -17.968 -9.873 -2.166 1.00 0.00 O ATOM 262 CB ALA A 20 -19.983 -8.163 -3.082 1.00 0.00 C ATOM 0 H ALA A 20 -17.652 -7.497 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.479 -7.020 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.260 -8.712 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.645 -7.305 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.076 -8.817 -3.949 1.00 0.00 H new ATOM 268 N ALA A 21 -16.301 -8.595 -2.988 1.00 0.00 N ATOM 269 CA ALA A 21 -15.235 -9.449 -2.467 1.00 0.00 C ATOM 270 C ALA A 21 -14.083 -8.602 -1.946 1.00 0.00 C ATOM 271 O ALA A 21 -13.937 -8.406 -0.739 1.00 0.00 O ATOM 272 CB ALA A 21 -14.775 -10.437 -3.528 1.00 0.00 C ATOM 0 H ALA A 21 -15.976 -7.809 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.624 -10.027 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.981 -11.064 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.614 -11.064 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.399 -9.892 -4.394 1.00 0.00 H new ATOM 278 N GLU A 22 -13.256 -8.112 -2.866 1.00 0.00 N ATOM 279 CA GLU A 22 -11.954 -7.567 -2.508 1.00 0.00 C ATOM 280 C GLU A 22 -11.757 -6.162 -3.058 1.00 0.00 C ATOM 281 O GLU A 22 -10.837 -5.454 -2.613 1.00 0.00 O ATOM 282 CB GLU A 22 -10.882 -8.531 -3.003 1.00 0.00 C ATOM 283 CG GLU A 22 -11.134 -9.188 -4.331 1.00 0.00 C ATOM 284 CD GLU A 22 -11.646 -10.604 -4.324 1.00 0.00 C ATOM 285 OE1 GLU A 22 -11.764 -11.275 -3.314 1.00 0.00 O ATOM 286 OE2 GLU A 22 -11.731 -11.074 -5.479 1.00 0.00 O ATOM 0 H GLU A 22 -13.466 -8.082 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.883 -7.470 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.938 -7.990 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.754 -9.313 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.850 -8.575 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.202 -9.171 -4.896 1.00 0.00 H new ATOM 293 N LYS A 23 -12.829 -5.619 -3.639 1.00 0.00 N ATOM 294 CA LYS A 23 -12.753 -4.313 -4.284 1.00 0.00 C ATOM 295 C LYS A 23 -12.412 -3.232 -3.261 1.00 0.00 C ATOM 296 O LYS A 23 -13.210 -2.942 -2.370 1.00 0.00 O ATOM 297 CB LYS A 23 -14.067 -3.945 -4.975 1.00 0.00 C ATOM 298 CG LYS A 23 -15.298 -4.080 -4.077 1.00 0.00 C ATOM 299 CD LYS A 23 -16.171 -2.839 -4.074 1.00 0.00 C ATOM 300 CE LYS A 23 -15.919 -1.907 -2.963 1.00 0.00 C ATOM 301 NZ LYS A 23 -15.131 -0.730 -3.410 1.00 0.00 N ATOM 0 H LYS A 23 -13.748 -6.060 -3.675 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.968 -4.374 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.002 -2.918 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.196 -4.581 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.890 -4.933 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.975 -4.293 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.026 -2.308 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.216 -3.148 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.868 -1.573 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.383 -2.424 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.971 -0.093 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.216 -1.048 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.654 -0.224 -4.153 1.00 0.00 H new ATOM 315 N VAL A 24 -11.343 -2.492 -3.545 1.00 0.00 N ATOM 316 CA VAL A 24 -11.108 -1.197 -2.918 1.00 0.00 C ATOM 317 C VAL A 24 -11.302 -0.076 -3.944 1.00 0.00 C ATOM 318 O VAL A 24 -11.323 -0.342 -5.148 1.00 0.00 O ATOM 319 CB VAL A 24 -9.721 -1.165 -2.245 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.707 -1.869 -0.894 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.641 -1.723 -3.158 1.00 0.00 C ATOM 0 H VAL A 24 -10.622 -2.771 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.839 -1.035 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.499 -0.114 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.706 -1.816 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.415 -1.383 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.990 -2.913 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.678 -1.684 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.876 -2.757 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.593 -1.129 -4.071 1.00 0.00 H new ATOM 331 N ILE A 25 -11.107 1.153 -3.477 1.00 0.00 N ATOM 332 CA ILE A 25 -10.927 2.299 -4.358 1.00 0.00 C ATOM 333 C ILE A 25 -10.012 3.331 -3.706 1.00 0.00 C ATOM 334 O ILE A 25 -9.955 3.438 -2.482 1.00 0.00 O ATOM 335 CB ILE A 25 -12.326 2.916 -4.739 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.107 4.108 -5.707 1.00 0.00 C ATOM 337 CG2 ILE A 25 -13.158 3.316 -3.502 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.388 4.917 -6.028 1.00 0.00 C ATOM 0 H ILE A 25 -11.070 1.381 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.447 1.971 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.916 2.151 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.367 4.780 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.688 3.730 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.111 3.735 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.339 2.436 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.612 4.060 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.143 5.730 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.125 4.262 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.799 5.329 -5.106 1.00 0.00 H new ATOM 350 N GLY A 26 -9.206 3.984 -4.537 1.00 0.00 N ATOM 351 CA GLY A 26 -8.132 4.840 -4.056 1.00 0.00 C ATOM 352 C GLY A 26 -7.717 5.833 -5.137 1.00 0.00 C ATOM 353 O GLY A 26 -6.982 5.489 -6.060 1.00 0.00 O ATOM 0 H GLY A 26 -9.279 3.935 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.458 5.378 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.276 4.231 -3.765 1.00 0.00 H new ATOM 357 N ALA A 27 -8.086 7.092 -4.925 1.00 0.00 N ATOM 358 CA ALA A 27 -7.571 8.192 -5.731 1.00 0.00 C ATOM 359 C ALA A 27 -7.959 8.003 -7.196 1.00 0.00 C ATOM 360 O ALA A 27 -7.363 8.604 -8.087 1.00 0.00 O ATOM 361 CB ALA A 27 -6.057 8.297 -5.575 1.00 0.00 C ATOM 0 H ALA A 27 -8.743 7.376 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.014 9.124 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.685 9.122 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.811 8.476 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.592 7.367 -5.903 1.00 0.00 H new ATOM 367 N GLY A 28 -9.105 7.356 -7.395 1.00 0.00 N ATOM 368 CA GLY A 28 -9.596 7.069 -8.734 1.00 0.00 C ATOM 369 C GLY A 28 -9.535 5.571 -9.016 1.00 0.00 C ATOM 370 O GLY A 28 -10.346 5.039 -9.771 1.00 0.00 O ATOM 0 H GLY A 28 -9.709 7.022 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.622 7.422 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.999 7.608 -9.470 1.00 0.00 H new ATOM 374 N LYS A 29 -8.481 4.941 -8.511 1.00 0.00 N ATOM 375 CA LYS A 29 -8.170 3.560 -8.852 1.00 0.00 C ATOM 376 C LYS A 29 -9.156 2.612 -8.175 1.00 0.00 C ATOM 377 O LYS A 29 -9.703 2.924 -7.118 1.00 0.00 O ATOM 378 CB LYS A 29 -6.749 3.176 -8.440 1.00 0.00 C ATOM 379 CG LYS A 29 -5.698 3.432 -9.520 1.00 0.00 C ATOM 380 CD LYS A 29 -4.458 2.571 -9.362 1.00 0.00 C ATOM 381 CE LYS A 29 -3.610 2.480 -10.561 1.00 0.00 C ATOM 382 NZ LYS A 29 -3.161 1.086 -10.803 1.00 0.00 N ATOM 0 H LYS A 29 -7.824 5.369 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.250 3.473 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.478 3.735 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.732 2.119 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.139 3.246 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.409 4.483 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.860 2.968 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.766 1.565 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.163 2.841 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.742 3.128 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.565 1.056 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.613 0.751 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.990 0.473 -10.938 1.00 0.00 H new ATOM 396 N SER A 30 -9.233 1.397 -8.706 1.00 0.00 N ATOM 397 CA SER A 30 -9.932 0.306 -8.042 1.00 0.00 C ATOM 398 C SER A 30 -9.069 -0.954 -8.038 1.00 0.00 C ATOM 399 O SER A 30 -8.333 -1.213 -8.989 1.00 0.00 O ATOM 400 CB SER A 30 -11.291 0.042 -8.678 1.00 0.00 C ATOM 401 OG SER A 30 -11.281 0.334 -10.064 1.00 0.00 O ATOM 0 H SER A 30 -8.816 1.143 -9.602 1.00 0.00 H new ATOM 0 HA SER A 30 -10.114 0.601 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.568 -1.001 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.050 0.648 -8.183 1.00 0.00 H new ATOM 0 HG SER A 30 -11.088 -0.483 -10.569 1.00 0.00 H new ATOM 407 N TRP A 31 -9.011 -1.597 -6.876 1.00 0.00 N ATOM 408 CA TRP A 31 -8.075 -2.681 -6.635 1.00 0.00 C ATOM 409 C TRP A 31 -8.812 -3.861 -5.974 1.00 0.00 C ATOM 410 O TRP A 31 -9.900 -3.670 -5.429 1.00 0.00 O ATOM 411 CB TRP A 31 -6.866 -2.243 -5.822 1.00 0.00 C ATOM 412 CG TRP A 31 -6.528 -0.793 -5.877 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.364 0.260 -5.585 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.200 -0.235 -5.891 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.672 1.446 -5.671 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.342 1.170 -5.816 1.00 0.00 C ATOM 417 CE3 TRP A 31 -3.930 -0.790 -6.000 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.256 2.027 -5.933 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -2.845 0.061 -6.042 1.00 0.00 C ATOM 420 CH2 TRP A 31 -2.999 1.444 -5.998 1.00 0.00 C ATOM 0 H TRP A 31 -9.611 -1.380 -6.080 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.679 -3.005 -7.598 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.036 -2.516 -4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.000 -2.810 -6.163 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.409 0.169 -5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.084 2.378 -5.633 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.796 -1.860 -6.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.384 3.099 -5.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.851 -0.356 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.123 2.075 -6.015 1.00 0.00 H new ATOM 431 N HIS A 32 -8.051 -4.922 -5.721 1.00 0.00 N ATOM 432 CA HIS A 32 -8.397 -5.899 -4.692 1.00 0.00 C ATOM 433 C HIS A 32 -7.311 -5.949 -3.624 1.00 0.00 C ATOM 434 O HIS A 32 -6.167 -5.571 -3.863 1.00 0.00 O ATOM 435 CB HIS A 32 -8.632 -7.327 -5.243 1.00 0.00 C ATOM 436 CG HIS A 32 -9.615 -7.351 -6.377 1.00 0.00 C ATOM 437 ND1 HIS A 32 -9.255 -7.515 -7.696 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.930 -7.010 -6.383 1.00 0.00 C ATOM 439 CE1 HIS A 32 -10.363 -7.470 -8.437 1.00 0.00 C ATOM 440 NE2 HIS A 32 -11.335 -6.979 -7.693 1.00 0.00 N ATOM 0 H HIS A 32 -7.185 -5.128 -6.218 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.342 -5.560 -4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.683 -7.744 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.994 -7.968 -4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.306 -7.648 -8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.542 -6.802 -5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.449 -7.782 -9.467 1.00 0.00 H new ATOM 448 N LYS A 33 -7.679 -6.481 -2.462 1.00 0.00 N ATOM 449 CA LYS A 33 -6.806 -6.448 -1.296 1.00 0.00 C ATOM 450 C LYS A 33 -5.512 -7.206 -1.578 1.00 0.00 C ATOM 451 O LYS A 33 -4.423 -6.636 -1.500 1.00 0.00 O ATOM 452 CB LYS A 33 -7.479 -7.055 -0.063 1.00 0.00 C ATOM 453 CG LYS A 33 -8.646 -6.228 0.477 1.00 0.00 C ATOM 454 CD LYS A 33 -9.473 -6.969 1.512 1.00 0.00 C ATOM 455 CE LYS A 33 -10.816 -7.365 1.061 1.00 0.00 C ATOM 456 NZ LYS A 33 -11.745 -7.538 2.208 1.00 0.00 N ATOM 0 H LYS A 33 -8.576 -6.940 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.588 -5.400 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.839 -8.053 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.734 -7.172 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.259 -5.310 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.290 -5.935 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.930 -7.863 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.573 -6.339 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.211 -6.609 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.752 -8.297 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.683 -7.817 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.379 -8.277 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.824 -6.642 2.729 1.00 0.00 H new ATOM 470 N SER A 34 -5.672 -8.389 -2.166 1.00 0.00 N ATOM 471 CA SER A 34 -4.539 -9.209 -2.563 1.00 0.00 C ATOM 472 C SER A 34 -3.680 -8.474 -3.587 1.00 0.00 C ATOM 473 O SER A 34 -2.479 -8.714 -3.695 1.00 0.00 O ATOM 474 CB SER A 34 -4.987 -10.566 -3.094 1.00 0.00 C ATOM 475 OG SER A 34 -6.299 -10.882 -2.666 1.00 0.00 O ATOM 0 H SER A 34 -6.582 -8.800 -2.377 1.00 0.00 H new ATOM 0 HA SER A 34 -3.933 -9.394 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.949 -10.562 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.296 -11.337 -2.754 1.00 0.00 H new ATOM 0 HG SER A 34 -6.558 -11.757 -3.024 1.00 0.00 H new ATOM 481 N CYS A 35 -4.350 -7.709 -4.444 1.00 0.00 N ATOM 482 CA CYS A 35 -3.670 -6.894 -5.438 1.00 0.00 C ATOM 483 C CYS A 35 -3.096 -5.632 -4.798 1.00 0.00 C ATOM 484 O CYS A 35 -2.399 -4.860 -5.462 1.00 0.00 O ATOM 485 CB CYS A 35 -4.599 -6.553 -6.603 1.00 0.00 C ATOM 486 SG CYS A 35 -5.155 -7.987 -7.555 1.00 0.00 S ATOM 0 H CYS A 35 -5.367 -7.638 -4.467 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.840 -7.474 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.472 -6.028 -6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.085 -5.864 -7.273 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.104 -7.627 -8.368 1.00 0.00 H new ATOM 491 N PHE A 36 -3.586 -5.325 -3.603 1.00 0.00 N ATOM 492 CA PHE A 36 -3.325 -4.039 -2.968 1.00 0.00 C ATOM 493 C PHE A 36 -1.850 -3.916 -2.606 1.00 0.00 C ATOM 494 O PHE A 36 -1.364 -4.591 -1.699 1.00 0.00 O ATOM 495 CB PHE A 36 -4.179 -3.796 -1.697 1.00 0.00 C ATOM 496 CG PHE A 36 -4.453 -2.339 -1.462 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.458 -1.414 -1.147 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.784 -1.917 -1.535 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.779 -0.069 -0.935 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.122 -0.587 -1.343 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.121 0.337 -1.037 1.00 0.00 C ATOM 0 H PHE A 36 -4.170 -5.954 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.605 -3.281 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.124 -4.330 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.663 -4.210 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.431 -1.739 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.560 -2.638 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.007 0.647 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.150 -0.268 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.380 1.373 -0.877 1.00 0.00 H new ATOM 511 N ARG A 37 -1.128 -3.130 -3.397 1.00 0.00 N ATOM 512 CA ARG A 37 0.328 -3.132 -3.364 1.00 0.00 C ATOM 513 C ARG A 37 0.851 -1.764 -2.921 1.00 0.00 C ATOM 514 O ARG A 37 0.872 -0.825 -3.726 1.00 0.00 O ATOM 515 CB ARG A 37 0.932 -3.497 -4.724 1.00 0.00 C ATOM 516 CG ARG A 37 0.522 -4.862 -5.260 1.00 0.00 C ATOM 517 CD ARG A 37 0.201 -4.805 -6.716 1.00 0.00 C ATOM 518 NE ARG A 37 1.384 -4.988 -7.542 1.00 0.00 N ATOM 519 CZ ARG A 37 1.542 -4.410 -8.735 1.00 0.00 C ATOM 520 NH1 ARG A 37 0.712 -3.465 -9.166 1.00 0.00 N ATOM 521 NH2 ARG A 37 2.597 -4.739 -9.483 1.00 0.00 N ATOM 0 H ARG A 37 -1.531 -2.480 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 37 0.633 -3.893 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.644 -2.736 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.019 -3.466 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.328 -5.577 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.346 -5.224 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.532 -5.575 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.259 -3.844 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 37 2.131 -5.588 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.068 -3.166 -8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.855 -3.039 -10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.271 -5.425 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.730 -4.305 -10.396 1.00 0.00 H new ATOM 535 N CYS A 38 1.614 -1.783 -1.832 1.00 0.00 N ATOM 536 CA CYS A 38 2.387 -0.638 -1.394 1.00 0.00 C ATOM 537 C CYS A 38 3.370 -0.196 -2.485 1.00 0.00 C ATOM 538 O CYS A 38 4.507 -0.698 -2.507 1.00 0.00 O ATOM 539 CB CYS A 38 3.125 -0.944 -0.089 1.00 0.00 C ATOM 540 SG CYS A 38 3.755 0.523 0.763 1.00 0.00 S ATOM 0 H CYS A 38 1.710 -2.600 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 38 1.696 0.184 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.451 -1.479 0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.959 -1.613 -0.303 1.00 0.00 H new ATOM 0 HG CYS A 38 3.586 0.386 2.045 1.00 0.00 H new ATOM 545 N ALA A 39 3.154 1.047 -2.932 1.00 0.00 N ATOM 546 CA ALA A 39 4.066 1.693 -3.863 1.00 0.00 C ATOM 547 C ALA A 39 5.073 2.560 -3.109 1.00 0.00 C ATOM 548 O ALA A 39 5.683 3.460 -3.688 1.00 0.00 O ATOM 549 CB ALA A 39 3.287 2.523 -4.879 1.00 0.00 C ATOM 0 H ALA A 39 2.354 1.619 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 39 4.618 0.923 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.983 3.000 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.611 1.875 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.710 3.288 -4.359 1.00 0.00 H new ATOM 555 N LYS A 40 5.369 2.160 -1.875 1.00 0.00 N ATOM 556 CA LYS A 40 6.595 2.586 -1.202 1.00 0.00 C ATOM 557 C LYS A 40 7.513 1.393 -0.974 1.00 0.00 C ATOM 558 O LYS A 40 8.481 1.191 -1.706 1.00 0.00 O ATOM 559 CB LYS A 40 6.308 3.268 0.133 1.00 0.00 C ATOM 560 CG LYS A 40 7.508 4.017 0.716 1.00 0.00 C ATOM 561 CD LYS A 40 7.218 5.481 0.992 1.00 0.00 C ATOM 562 CE LYS A 40 7.792 6.002 2.242 1.00 0.00 C ATOM 563 NZ LYS A 40 9.179 6.492 2.041 1.00 0.00 N ATOM 0 H LYS A 40 4.777 1.542 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 40 7.084 3.311 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.483 3.969 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.977 2.517 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.816 3.533 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.347 3.943 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.598 6.074 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.138 5.623 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.169 6.813 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.788 5.219 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.554 6.852 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.778 5.711 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.178 7.256 1.336 1.00 0.00 H new ATOM 577 N CYS A 41 7.140 0.553 -0.010 1.00 0.00 N ATOM 578 CA CYS A 41 8.040 -0.486 0.474 1.00 0.00 C ATOM 579 C CYS A 41 8.056 -1.672 -0.483 1.00 0.00 C ATOM 580 O CYS A 41 8.996 -2.468 -0.483 1.00 0.00 O ATOM 581 CB CYS A 41 7.788 -0.855 1.919 1.00 0.00 C ATOM 582 SG CYS A 41 6.251 -1.702 2.315 1.00 0.00 S ATOM 0 H CYS A 41 6.228 0.573 0.447 1.00 0.00 H new ATOM 0 HA CYS A 41 9.052 -0.081 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.613 -1.485 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.827 0.060 2.510 1.00 0.00 H new ATOM 0 HG CYS A 41 5.249 -1.032 1.830 1.00 0.00 H new ATOM 587 N GLY A 42 7.157 -1.611 -1.465 1.00 0.00 N ATOM 588 CA GLY A 42 7.081 -2.633 -2.499 1.00 0.00 C ATOM 589 C GLY A 42 6.623 -3.960 -1.904 1.00 0.00 C ATOM 590 O GLY A 42 6.731 -5.008 -2.537 1.00 0.00 O ATOM 0 H GLY A 42 6.472 -0.862 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.388 -2.319 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.056 -2.756 -2.970 1.00 0.00 H new ATOM 594 N LYS A 43 6.039 -3.882 -0.712 1.00 0.00 N ATOM 595 CA LYS A 43 5.303 -5.006 -0.144 1.00 0.00 C ATOM 596 C LYS A 43 3.863 -5.002 -0.645 1.00 0.00 C ATOM 597 O LYS A 43 3.133 -4.028 -0.463 1.00 0.00 O ATOM 598 CB LYS A 43 5.300 -4.968 1.384 1.00 0.00 C ATOM 599 CG LYS A 43 5.373 -6.348 2.039 1.00 0.00 C ATOM 600 CD LYS A 43 4.106 -6.721 2.786 1.00 0.00 C ATOM 601 CE LYS A 43 4.309 -7.126 4.186 1.00 0.00 C ATOM 602 NZ LYS A 43 5.433 -8.087 4.314 1.00 0.00 N ATOM 0 H LYS A 43 6.061 -3.051 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 43 5.807 -5.917 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.145 -4.370 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.395 -4.463 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.569 -7.097 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.215 -6.371 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.425 -5.870 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.615 -7.536 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.510 -6.245 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.395 -7.579 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.258 -8.720 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.510 -8.649 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.319 -7.566 4.469 1.00 0.00 H new ATOM 616 N SER A 44 3.551 -5.990 -1.484 1.00 0.00 N ATOM 617 CA SER A 44 2.172 -6.213 -1.903 1.00 0.00 C ATOM 618 C SER A 44 1.404 -6.958 -0.813 1.00 0.00 C ATOM 619 O SER A 44 1.745 -8.091 -0.472 1.00 0.00 O ATOM 620 CB SER A 44 2.105 -6.956 -3.231 1.00 0.00 C ATOM 621 OG SER A 44 0.767 -7.237 -3.602 1.00 0.00 O ATOM 0 H SER A 44 4.228 -6.641 -1.882 1.00 0.00 H new ATOM 0 HA SER A 44 1.701 -5.242 -2.055 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.581 -6.358 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.666 -7.887 -3.157 1.00 0.00 H new ATOM 0 HG SER A 44 0.758 -7.713 -4.459 1.00 0.00 H new ATOM 627 N LEU A 45 0.582 -6.199 -0.082 1.00 0.00 N ATOM 628 CA LEU A 45 -0.143 -6.719 1.048 1.00 0.00 C ATOM 629 C LEU A 45 -1.668 -6.643 0.797 1.00 0.00 C ATOM 630 O LEU A 45 -2.101 -6.804 -0.343 1.00 0.00 O ATOM 631 CB LEU A 45 0.264 -6.007 2.336 1.00 0.00 C ATOM 632 CG LEU A 45 0.943 -4.650 2.212 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.182 -3.608 2.029 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.713 -4.359 3.486 1.00 0.00 C ATOM 0 H LEU A 45 0.411 -5.211 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 45 0.115 -7.771 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.631 -5.880 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.934 -6.668 2.887 1.00 0.00 H new ATOM 0 HG LEU A 45 1.639 -4.624 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.255 -2.614 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.751 -3.841 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.845 -3.633 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.201 -3.388 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.026 -4.348 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.466 -5.132 3.641 1.00 0.00 H new ATOM 646 N GLU A 46 -2.391 -6.877 1.891 1.00 0.00 N ATOM 647 CA GLU A 46 -3.800 -7.242 1.826 1.00 0.00 C ATOM 648 C GLU A 46 -4.404 -7.257 3.230 1.00 0.00 C ATOM 649 O GLU A 46 -3.710 -7.502 4.212 1.00 0.00 O ATOM 650 CB GLU A 46 -3.900 -8.611 1.162 1.00 0.00 C ATOM 651 CG GLU A 46 -5.289 -9.179 1.035 1.00 0.00 C ATOM 652 CD GLU A 46 -5.527 -10.567 1.560 1.00 0.00 C ATOM 653 OE1 GLU A 46 -4.581 -11.338 1.288 1.00 0.00 O ATOM 654 OE2 GLU A 46 -6.464 -10.873 2.275 1.00 0.00 O ATOM 0 H GLU A 46 -2.018 -6.819 2.839 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.361 -6.514 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.463 -8.543 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.291 -9.314 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.975 -8.505 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.560 -9.169 -0.021 1.00 0.00 H new ATOM 661 N SER A 47 -5.721 -7.091 3.286 1.00 0.00 N ATOM 662 CA SER A 47 -6.481 -7.368 4.498 1.00 0.00 C ATOM 663 C SER A 47 -6.005 -6.478 5.642 1.00 0.00 C ATOM 664 O SER A 47 -6.168 -6.820 6.813 1.00 0.00 O ATOM 665 CB SER A 47 -6.419 -8.840 4.876 1.00 0.00 C ATOM 666 OG SER A 47 -5.210 -9.160 5.539 1.00 0.00 O ATOM 0 H SER A 47 -6.286 -6.764 2.502 1.00 0.00 H new ATOM 0 HA SER A 47 -7.527 -7.136 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.263 -9.086 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.514 -9.451 3.978 1.00 0.00 H new ATOM 0 HG SER A 47 -4.556 -8.446 5.389 1.00 0.00 H new ATOM 672 N THR A 48 -5.182 -5.493 5.282 1.00 0.00 N ATOM 673 CA THR A 48 -4.664 -4.541 6.255 1.00 0.00 C ATOM 674 C THR A 48 -4.671 -3.131 5.669 1.00 0.00 C ATOM 675 O THR A 48 -4.945 -2.946 4.483 1.00 0.00 O ATOM 676 CB THR A 48 -3.208 -4.936 6.740 1.00 0.00 C ATOM 677 OG1 THR A 48 -2.498 -5.400 5.548 1.00 0.00 O ATOM 678 CG2 THR A 48 -3.189 -5.975 7.860 1.00 0.00 C ATOM 0 H THR A 48 -4.863 -5.337 4.326 1.00 0.00 H new ATOM 0 HA THR A 48 -5.317 -4.565 7.127 1.00 0.00 H new ATOM 0 HB THR A 48 -2.721 -4.070 7.189 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.910 -6.228 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.157 -6.193 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.723 -5.585 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.673 -6.889 7.517 1.00 0.00 H new ATOM 686 N THR A 49 -4.547 -2.145 6.551 1.00 0.00 N ATOM 687 CA THR A 49 -4.852 -0.761 6.209 1.00 0.00 C ATOM 688 C THR A 49 -3.925 -0.267 5.106 1.00 0.00 C ATOM 689 O THR A 49 -2.886 -0.868 4.834 1.00 0.00 O ATOM 690 CB THR A 49 -4.767 0.184 7.481 1.00 0.00 C ATOM 691 OG1 THR A 49 -5.056 -0.667 8.634 1.00 0.00 O ATOM 692 CG2 THR A 49 -5.695 1.395 7.412 1.00 0.00 C ATOM 0 H THR A 49 -4.236 -2.280 7.513 1.00 0.00 H new ATOM 0 HA THR A 49 -5.878 -0.726 5.842 1.00 0.00 H new ATOM 0 HB THR A 49 -3.774 0.629 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.015 -0.132 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.581 1.993 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.440 2.000 6.542 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.728 1.057 7.328 1.00 0.00 H new ATOM 700 N LEU A 50 -4.223 0.930 4.606 1.00 0.00 N ATOM 701 CA LEU A 50 -3.524 1.465 3.445 1.00 0.00 C ATOM 702 C LEU A 50 -3.550 2.991 3.468 1.00 0.00 C ATOM 703 O LEU A 50 -4.047 3.596 4.417 1.00 0.00 O ATOM 704 CB LEU A 50 -4.162 0.853 2.187 1.00 0.00 C ATOM 705 CG LEU A 50 -5.677 0.746 2.171 1.00 0.00 C ATOM 706 CD1 LEU A 50 -6.292 1.824 1.290 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.067 -0.636 1.656 1.00 0.00 C ATOM 0 H LEU A 50 -4.942 1.545 4.987 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.468 1.193 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.854 1.447 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.749 -0.146 2.048 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.055 0.888 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.377 1.724 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.016 2.807 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.924 1.714 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.153 -0.725 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.677 -0.772 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.650 -1.400 2.312 1.00 0.00 H new ATOM 719 N ALA A 51 -3.253 3.573 2.308 1.00 0.00 N ATOM 720 CA ALA A 51 -3.269 5.020 2.153 1.00 0.00 C ATOM 721 C ALA A 51 -3.027 5.398 0.693 1.00 0.00 C ATOM 722 O ALA A 51 -1.908 5.281 0.191 1.00 0.00 O ATOM 723 CB ALA A 51 -2.229 5.664 3.064 1.00 0.00 C ATOM 0 H ALA A 51 -2.999 3.062 1.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.251 5.394 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.254 6.746 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.451 5.416 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.238 5.291 2.806 1.00 0.00 H new ATOM 729 N ASP A 52 -4.123 5.651 -0.013 1.00 0.00 N ATOM 730 CA ASP A 52 -4.064 5.991 -1.427 1.00 0.00 C ATOM 731 C ASP A 52 -3.839 7.492 -1.604 1.00 0.00 C ATOM 732 O ASP A 52 -4.613 8.306 -1.103 1.00 0.00 O ATOM 733 CB ASP A 52 -5.271 5.448 -2.188 1.00 0.00 C ATOM 734 CG ASP A 52 -6.590 6.032 -1.719 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.968 7.144 -2.117 1.00 0.00 O ATOM 736 OD2 ASP A 52 -7.225 5.360 -0.879 1.00 0.00 O ATOM 0 H ASP A 52 -5.066 5.627 0.374 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.203 5.496 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.146 5.658 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.303 4.364 -2.079 1.00 0.00 H new ATOM 741 N LYS A 53 -2.882 7.826 -2.462 1.00 0.00 N ATOM 742 CA LYS A 53 -2.730 9.187 -2.957 1.00 0.00 C ATOM 743 C LYS A 53 -2.054 9.181 -4.326 1.00 0.00 C ATOM 744 O LYS A 53 -1.132 8.404 -4.569 1.00 0.00 O ATOM 745 CB LYS A 53 -1.908 10.053 -2.001 1.00 0.00 C ATOM 746 CG LYS A 53 -2.399 10.017 -0.554 1.00 0.00 C ATOM 747 CD LYS A 53 -1.566 10.877 0.379 1.00 0.00 C ATOM 748 CE LYS A 53 -1.758 10.601 1.812 1.00 0.00 C ATOM 749 NZ LYS A 53 -0.460 10.553 2.533 1.00 0.00 N ATOM 0 H LYS A 53 -2.196 7.167 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.731 9.612 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.869 9.723 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.925 11.084 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.435 10.353 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.386 8.987 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.513 10.738 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.801 11.925 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.392 11.372 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.279 9.652 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.629 10.357 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.134 9.801 2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.025 11.468 2.435 1.00 0.00 H new ATOM 763 N ASP A 54 -2.431 10.149 -5.153 1.00 0.00 N ATOM 764 CA ASP A 54 -1.712 10.433 -6.388 1.00 0.00 C ATOM 765 C ASP A 54 -1.740 9.216 -7.309 1.00 0.00 C ATOM 766 O ASP A 54 -0.896 9.076 -8.193 1.00 0.00 O ATOM 767 CB ASP A 54 -0.313 10.976 -6.112 1.00 0.00 C ATOM 768 CG ASP A 54 -0.301 12.451 -5.757 1.00 0.00 C ATOM 769 OD1 ASP A 54 -1.146 13.225 -6.232 1.00 0.00 O ATOM 770 OD2 ASP A 54 0.613 12.828 -4.992 1.00 0.00 O ATOM 0 H ASP A 54 -3.236 10.754 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.222 11.234 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.135 10.409 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.311 10.816 -6.991 1.00 0.00 H new ATOM 775 N GLY A 55 -2.814 8.442 -7.193 1.00 0.00 N ATOM 776 CA GLY A 55 -3.043 7.305 -8.071 1.00 0.00 C ATOM 777 C GLY A 55 -2.596 6.012 -7.396 1.00 0.00 C ATOM 778 O GLY A 55 -2.966 4.919 -7.823 1.00 0.00 O ATOM 0 H GLY A 55 -3.543 8.585 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.101 7.242 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.497 7.443 -9.004 1.00 0.00 H new ATOM 782 N GLU A 56 -1.663 6.154 -6.462 1.00 0.00 N ATOM 783 CA GLU A 56 -1.017 5.011 -5.835 1.00 0.00 C ATOM 784 C GLU A 56 -1.262 5.036 -4.322 1.00 0.00 C ATOM 785 O GLU A 56 -2.206 5.678 -3.860 1.00 0.00 O ATOM 786 CB GLU A 56 0.468 5.067 -6.161 1.00 0.00 C ATOM 787 CG GLU A 56 0.841 4.740 -7.583 1.00 0.00 C ATOM 788 CD GLU A 56 0.978 3.288 -7.951 1.00 0.00 C ATOM 789 OE1 GLU A 56 0.397 2.384 -7.375 1.00 0.00 O ATOM 790 OE2 GLU A 56 1.602 3.135 -9.023 1.00 0.00 O ATOM 0 H GLU A 56 -1.336 7.058 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.431 4.077 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.834 6.068 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.992 4.376 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.090 5.183 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.788 5.233 -7.804 1.00 0.00 H new ATOM 797 N ILE A 57 -0.580 4.138 -3.617 1.00 0.00 N ATOM 798 CA ILE A 57 -1.023 3.701 -2.293 1.00 0.00 C ATOM 799 C ILE A 57 0.173 3.482 -1.377 1.00 0.00 C ATOM 800 O ILE A 57 1.314 3.413 -1.833 1.00 0.00 O ATOM 801 CB ILE A 57 -1.905 2.401 -2.430 1.00 0.00 C ATOM 802 CG1 ILE A 57 -1.057 1.286 -3.097 1.00 0.00 C ATOM 803 CG2 ILE A 57 -3.226 2.659 -3.188 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.781 -0.073 -3.240 1.00 0.00 C ATOM 0 H ILE A 57 0.282 3.698 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.638 4.479 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.205 2.075 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.749 1.625 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.149 1.139 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.795 1.731 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.812 3.407 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.005 3.021 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.114 -0.792 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.065 -0.439 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.674 0.053 -3.852 1.00 0.00 H new ATOM 816 N TYR A 58 -0.133 3.107 -0.135 1.00 0.00 N ATOM 817 CA TYR A 58 0.907 2.976 0.889 1.00 0.00 C ATOM 818 C TYR A 58 0.311 2.300 2.130 1.00 0.00 C ATOM 819 O TYR A 58 -0.911 2.334 2.317 1.00 0.00 O ATOM 820 CB TYR A 58 1.512 4.341 1.232 1.00 0.00 C ATOM 821 CG TYR A 58 2.609 4.306 2.288 1.00 0.00 C ATOM 822 CD1 TYR A 58 3.906 3.941 1.923 1.00 0.00 C ATOM 823 CD2 TYR A 58 2.435 4.956 3.515 1.00 0.00 C ATOM 824 CE1 TYR A 58 4.994 4.181 2.759 1.00 0.00 C ATOM 825 CE2 TYR A 58 3.499 5.128 4.399 1.00 0.00 C ATOM 826 CZ TYR A 58 4.785 4.761 4.003 1.00 0.00 C ATOM 827 OH TYR A 58 5.850 4.847 4.858 1.00 0.00 O ATOM 0 H TYR A 58 -1.077 2.891 0.185 1.00 0.00 H new ATOM 0 HA TYR A 58 1.716 2.355 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.918 4.782 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.715 4.999 1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.070 3.461 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.458 5.331 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.992 3.918 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.329 5.542 5.382 1.00 0.00 H new ATOM 0 HH TYR A 58 5.566 5.274 5.693 1.00 0.00 H new ATOM 837 N CYS A 59 1.109 1.461 2.795 1.00 0.00 N ATOM 838 CA CYS A 59 0.570 0.266 3.458 1.00 0.00 C ATOM 839 C CYS A 59 0.341 0.520 4.934 1.00 0.00 C ATOM 840 O CYS A 59 0.876 1.471 5.508 1.00 0.00 O ATOM 841 CB CYS A 59 1.350 -0.981 3.123 1.00 0.00 C ATOM 842 SG CYS A 59 2.939 -1.271 3.889 1.00 0.00 S ATOM 0 H CYS A 59 2.117 1.582 2.890 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.420 0.057 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.715 -1.835 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.504 -0.988 2.044 1.00 0.00 H new ATOM 0 HG CYS A 59 3.632 -0.171 3.881 1.00 0.00 H new ATOM 847 N LYS A 60 -0.386 -0.395 5.571 1.00 0.00 N ATOM 848 CA LYS A 60 -0.490 -0.421 7.022 1.00 0.00 C ATOM 849 C LYS A 60 0.778 -1.031 7.628 1.00 0.00 C ATOM 850 O LYS A 60 1.211 -0.613 8.704 1.00 0.00 O ATOM 851 CB LYS A 60 -1.699 -1.226 7.497 1.00 0.00 C ATOM 852 CG LYS A 60 -1.899 -1.211 9.014 1.00 0.00 C ATOM 853 CD LYS A 60 -2.156 -2.590 9.593 1.00 0.00 C ATOM 854 CE LYS A 60 -1.980 -2.692 11.051 1.00 0.00 C ATOM 855 NZ LYS A 60 -3.281 -2.599 11.761 1.00 0.00 N ATOM 0 H LYS A 60 -0.913 -1.130 5.099 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.613 0.610 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.596 -0.832 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.588 -2.258 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.015 -0.784 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.738 -0.559 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.174 -2.889 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.486 -3.302 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.497 -3.638 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.318 -1.898 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.123 -2.674 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.729 -1.686 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.903 -3.372 11.449 1.00 0.00 H new ATOM 869 N GLY A 61 1.526 -1.718 6.769 1.00 0.00 N ATOM 870 CA GLY A 61 2.859 -2.191 7.105 1.00 0.00 C ATOM 871 C GLY A 61 3.817 -1.031 7.331 1.00 0.00 C ATOM 872 O GLY A 61 4.924 -1.212 7.840 1.00 0.00 O ATOM 0 H GLY A 61 1.224 -1.960 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.813 -2.807 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.235 -2.825 6.302 1.00 0.00 H new ATOM 876 N CYS A 62 3.359 0.176 7.010 1.00 0.00 N ATOM 877 CA CYS A 62 4.264 1.318 6.870 1.00 0.00 C ATOM 878 C CYS A 62 3.879 2.395 7.893 1.00 0.00 C ATOM 879 O CYS A 62 4.643 2.667 8.819 1.00 0.00 O ATOM 880 CB CYS A 62 4.223 1.877 5.451 1.00 0.00 C ATOM 881 SG CYS A 62 5.545 1.293 4.362 1.00 0.00 S ATOM 0 H CYS A 62 2.376 0.390 6.843 1.00 0.00 H new ATOM 0 HA CYS A 62 5.286 0.990 7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.263 1.620 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.269 2.965 5.503 1.00 0.00 H new ATOM 0 HG CYS A 62 5.758 2.172 3.428 1.00 0.00 H new ATOM 886 N TYR A 63 2.583 2.700 7.910 1.00 0.00 N ATOM 887 CA TYR A 63 1.980 3.475 8.983 1.00 0.00 C ATOM 888 C TYR A 63 2.158 2.759 10.321 1.00 0.00 C ATOM 889 O TYR A 63 2.164 3.394 11.375 1.00 0.00 O ATOM 890 CB TYR A 63 0.485 3.739 8.700 1.00 0.00 C ATOM 891 CG TYR A 63 -0.128 4.817 9.564 1.00 0.00 C ATOM 892 CD1 TYR A 63 0.181 6.166 9.373 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.121 4.498 10.492 1.00 0.00 C ATOM 894 CE1 TYR A 63 -0.416 7.162 10.145 1.00 0.00 C ATOM 895 CE2 TYR A 63 -1.730 5.478 11.267 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.387 6.810 11.081 1.00 0.00 C ATOM 897 OH TYR A 63 -2.055 7.753 11.813 1.00 0.00 O ATOM 0 H TYR A 63 1.927 2.417 7.182 1.00 0.00 H new ATOM 0 HA TYR A 63 2.487 4.438 9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.369 4.018 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.070 2.812 8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.896 6.443 8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.422 3.468 10.610 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.129 8.196 10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.465 5.205 12.009 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.693 7.311 12.411 1.00 0.00 H new ATOM 907 N ALA A 64 2.542 1.490 10.234 1.00 0.00 N ATOM 908 CA ALA A 64 2.999 0.736 11.391 1.00 0.00 C ATOM 909 C ALA A 64 4.519 0.801 11.502 1.00 0.00 C ATOM 910 O ALA A 64 5.060 1.373 12.446 1.00 0.00 O ATOM 911 CB ALA A 64 2.516 -0.709 11.307 1.00 0.00 C ATOM 0 H ALA A 64 2.545 0.959 9.363 1.00 0.00 H new ATOM 0 HA ALA A 64 2.576 1.183 12.291 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.866 -1.261 12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.427 -0.727 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.910 -1.172 10.403 1.00 0.00 H new ATOM 917 N LYS A 65 5.191 0.130 10.572 1.00 0.00 N ATOM 918 CA LYS A 65 6.613 -0.155 10.707 1.00 0.00 C ATOM 919 C LYS A 65 7.411 1.143 10.784 1.00 0.00 C ATOM 920 O LYS A 65 8.519 1.170 11.320 1.00 0.00 O ATOM 921 CB LYS A 65 7.138 -0.990 9.538 1.00 0.00 C ATOM 922 CG LYS A 65 8.614 -1.370 9.659 1.00 0.00 C ATOM 923 CD LYS A 65 8.834 -2.861 9.832 1.00 0.00 C ATOM 924 CE LYS A 65 9.146 -3.286 11.205 1.00 0.00 C ATOM 925 NZ LYS A 65 8.067 -4.133 11.772 1.00 0.00 N ATOM 0 H LYS A 65 4.771 -0.227 9.714 1.00 0.00 H new ATOM 0 HA LYS A 65 6.738 -0.726 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.544 -1.901 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.991 -0.433 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.144 -1.032 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.050 -0.844 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.939 -3.387 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.648 -3.172 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.085 -3.839 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.289 -2.408 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.320 -4.415 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.177 -3.596 11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.948 -4.983 11.184 1.00 0.00 H new ATOM 939 N ASN A 66 6.914 2.159 10.086 1.00 0.00 N ATOM 940 CA ASN A 66 7.661 3.389 9.869 1.00 0.00 C ATOM 941 C ASN A 66 7.980 4.060 11.202 1.00 0.00 C ATOM 942 O ASN A 66 8.794 4.979 11.266 1.00 0.00 O ATOM 943 CB ASN A 66 6.965 4.300 8.860 1.00 0.00 C ATOM 944 CG ASN A 66 7.839 5.444 8.383 1.00 0.00 C ATOM 945 OD1 ASN A 66 9.075 5.338 8.378 1.00 0.00 O ATOM 946 ND2 ASN A 66 7.204 6.515 7.908 1.00 0.00 N ATOM 0 H ASN A 66 5.988 2.152 9.658 1.00 0.00 H new ATOM 0 HA ASN A 66 8.621 3.148 9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.653 3.707 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.060 4.707 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.737 7.293 7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.185 6.557 7.933 1.00 0.00 H new