USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=20 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 156:sc= -0.0458 USER MOD Set 1.2: A 41 CYS SG : rot -51:sc= 0.603 USER MOD Set 1.3: A 59 CYS SG : rot -40:sc= -3.4! USER MOD Set 1.4: A 62 CYS SG : rot 180:sc= 0.458 USER MOD Set 2.1: A 11 CYS SG : rot 162:sc= 0.104 USER MOD Set 2.2: A 14 CYS SG : rot -53:sc= -0.141 USER MOD Set 2.3: A 32 HIS : no HD1:sc= -7.82! C(o=-8.2!,f=-15!) USER MOD Set 2.4: A 35 CYS SG : rot 169:sc= -0.367 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0368) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0923 (180deg=-0.394) USER MOD Single : A 30 SER OG : rot -10:sc= 0.383 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 49 THR OG1 : rot 44:sc= 0.836 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -0.653 (180deg=-1.38) USER MOD Single : A 58 TYR OH : rot 133:sc= 1.46 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+ -158:sc= -0.0296 (180deg=-0.385) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -15.212 -3.943 -10.440 1.00 0.00 N ATOM 123 CA GLY A 10 -14.191 -4.695 -11.167 1.00 0.00 C ATOM 124 C GLY A 10 -12.826 -4.030 -11.015 1.00 0.00 C ATOM 125 O GLY A 10 -12.662 -3.104 -10.220 1.00 0.00 O ATOM 0 HA2 GLY A 10 -14.148 -5.717 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.457 -4.754 -12.222 1.00 0.00 H new ATOM 129 N CYS A 11 -11.821 -4.626 -11.650 1.00 0.00 N ATOM 130 CA CYS A 11 -10.428 -4.353 -11.320 1.00 0.00 C ATOM 131 C CYS A 11 -9.684 -3.871 -12.588 1.00 0.00 C ATOM 132 O CYS A 11 -9.142 -4.685 -13.355 1.00 0.00 O ATOM 133 CB CYS A 11 -9.748 -5.586 -10.737 1.00 0.00 C ATOM 134 SG CYS A 11 -8.195 -5.248 -9.872 1.00 0.00 S ATOM 0 H CYS A 11 -11.948 -5.305 -12.400 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.395 -3.570 -10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.436 -6.072 -10.045 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.554 -6.294 -11.543 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.900 -6.253 -9.102 1.00 0.00 H new ATOM 139 N PRO A 12 -9.395 -2.553 -12.605 1.00 0.00 N ATOM 140 CA PRO A 12 -8.458 -1.946 -13.581 1.00 0.00 C ATOM 141 C PRO A 12 -7.053 -2.542 -13.532 1.00 0.00 C ATOM 142 O PRO A 12 -6.213 -2.240 -14.378 1.00 0.00 O ATOM 143 CB PRO A 12 -8.475 -0.445 -13.321 1.00 0.00 C ATOM 144 CG PRO A 12 -9.212 -0.191 -12.038 1.00 0.00 C ATOM 145 CD PRO A 12 -9.962 -1.482 -11.734 1.00 0.00 C ATOM 0 HA PRO A 12 -8.785 -2.165 -14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.457 -0.061 -13.255 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.960 0.077 -14.146 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.522 0.060 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.901 0.648 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.855 -1.748 -10.682 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.028 -1.359 -11.925 1.00 0.00 H new ATOM 153 N ARG A 13 -6.776 -3.263 -12.451 1.00 0.00 N ATOM 154 CA ARG A 13 -5.412 -3.649 -12.112 1.00 0.00 C ATOM 155 C ARG A 13 -5.021 -4.924 -12.853 1.00 0.00 C ATOM 156 O ARG A 13 -4.017 -4.953 -13.564 1.00 0.00 O ATOM 157 CB ARG A 13 -5.238 -3.851 -10.601 1.00 0.00 C ATOM 158 CG ARG A 13 -4.012 -3.170 -10.007 1.00 0.00 C ATOM 159 CD ARG A 13 -2.761 -3.573 -10.711 1.00 0.00 C ATOM 160 NE ARG A 13 -2.408 -2.648 -11.777 1.00 0.00 N ATOM 161 CZ ARG A 13 -1.941 -1.418 -11.553 1.00 0.00 C ATOM 162 NH1 ARG A 13 -1.943 -0.884 -10.336 1.00 0.00 N ATOM 163 NH2 ARG A 13 -1.509 -0.689 -12.584 1.00 0.00 N ATOM 0 H ARG A 13 -7.482 -3.593 -11.792 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.756 -2.835 -12.421 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.127 -3.477 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.179 -4.920 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.131 -2.088 -10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.932 -3.423 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.943 -3.626 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.886 -4.573 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.523 -2.955 -12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.307 -1.417 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.580 0.058 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.538 -1.073 -13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.149 0.253 -12.428 1.00 0.00 H new ATOM 177 N CYS A 14 -5.683 -6.018 -12.479 1.00 0.00 N ATOM 178 CA CYS A 14 -5.388 -7.322 -13.053 1.00 0.00 C ATOM 179 C CYS A 14 -6.221 -7.557 -14.308 1.00 0.00 C ATOM 180 O CYS A 14 -5.831 -8.314 -15.193 1.00 0.00 O ATOM 181 CB CYS A 14 -5.563 -8.440 -12.031 1.00 0.00 C ATOM 182 SG CYS A 14 -7.193 -8.525 -11.258 1.00 0.00 S ATOM 0 H CYS A 14 -6.427 -6.023 -11.781 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.338 -7.333 -13.346 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.360 -9.393 -12.520 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.813 -8.317 -11.249 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.500 -7.363 -10.764 1.00 0.00 H new ATOM 187 N GLY A 15 -7.335 -6.839 -14.395 1.00 0.00 N ATOM 188 CA GLY A 15 -8.161 -6.841 -15.593 1.00 0.00 C ATOM 189 C GLY A 15 -9.441 -7.636 -15.356 1.00 0.00 C ATOM 190 O GLY A 15 -10.453 -7.411 -16.018 1.00 0.00 O ATOM 0 H GLY A 15 -7.687 -6.245 -13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.408 -5.817 -15.874 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.605 -7.274 -16.425 1.00 0.00 H new ATOM 194 N GLN A 16 -9.413 -8.465 -14.319 1.00 0.00 N ATOM 195 CA GLN A 16 -10.617 -9.118 -13.821 1.00 0.00 C ATOM 196 C GLN A 16 -11.575 -8.085 -13.233 1.00 0.00 C ATOM 197 O GLN A 16 -11.183 -6.953 -12.953 1.00 0.00 O ATOM 198 CB GLN A 16 -10.313 -10.224 -12.808 1.00 0.00 C ATOM 199 CG GLN A 16 -10.167 -11.599 -13.431 1.00 0.00 C ATOM 200 CD GLN A 16 -9.463 -12.585 -12.530 1.00 0.00 C ATOM 201 OE1 GLN A 16 -9.573 -12.544 -11.309 1.00 0.00 O ATOM 202 NE2 GLN A 16 -8.700 -13.477 -13.156 1.00 0.00 N ATOM 0 H GLN A 16 -8.565 -8.702 -13.805 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.096 -9.603 -14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.394 -9.976 -12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.111 -10.254 -12.066 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.155 -11.985 -13.681 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.614 -11.511 -14.366 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.640 -13.472 -14.174 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.175 -14.166 -12.618 1.00 0.00 H new ATOM 211 N ALA A 17 -12.777 -8.546 -12.908 1.00 0.00 N ATOM 212 CA ALA A 17 -13.723 -7.753 -12.133 1.00 0.00 C ATOM 213 C ALA A 17 -14.511 -8.653 -11.182 1.00 0.00 C ATOM 214 O ALA A 17 -14.726 -9.830 -11.466 1.00 0.00 O ATOM 215 CB ALA A 17 -14.659 -6.989 -13.064 1.00 0.00 C ATOM 0 H ALA A 17 -13.121 -9.470 -13.171 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.171 -7.027 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.360 -6.401 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.076 -6.325 -13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.211 -7.695 -13.685 1.00 0.00 H new ATOM 221 N VAL A 18 -14.793 -8.125 -9.994 1.00 0.00 N ATOM 222 CA VAL A 18 -15.191 -8.955 -8.862 1.00 0.00 C ATOM 223 C VAL A 18 -16.721 -8.988 -8.766 1.00 0.00 C ATOM 224 O VAL A 18 -17.368 -7.953 -8.947 1.00 0.00 O ATOM 225 CB VAL A 18 -14.512 -8.515 -7.556 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.491 -9.627 -6.508 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.109 -7.971 -7.782 1.00 0.00 C ATOM 0 H VAL A 18 -14.753 -7.126 -9.791 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.845 -9.975 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.124 -7.701 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.001 -9.266 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.513 -9.924 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.944 -10.485 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.675 -7.675 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.489 -8.742 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.156 -7.105 -8.443 1.00 0.00 H new ATOM 237 N TYR A 19 -17.208 -10.028 -8.090 1.00 0.00 N ATOM 238 CA TYR A 19 -18.637 -10.179 -7.853 1.00 0.00 C ATOM 239 C TYR A 19 -19.016 -9.600 -6.497 1.00 0.00 C ATOM 240 O TYR A 19 -19.923 -10.085 -5.821 1.00 0.00 O ATOM 241 CB TYR A 19 -19.061 -11.659 -7.967 1.00 0.00 C ATOM 242 CG TYR A 19 -20.518 -11.862 -8.315 1.00 0.00 C ATOM 243 CD1 TYR A 19 -20.996 -11.634 -9.608 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.443 -12.185 -7.322 1.00 0.00 C ATOM 245 CE1 TYR A 19 -22.351 -11.755 -9.911 1.00 0.00 C ATOM 246 CE2 TYR A 19 -22.799 -12.305 -7.605 1.00 0.00 C ATOM 247 CZ TYR A 19 -23.253 -12.071 -8.896 1.00 0.00 C ATOM 248 OH TYR A 19 -24.598 -12.150 -9.127 1.00 0.00 O ATOM 0 H TYR A 19 -16.633 -10.775 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.174 -9.622 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -18.447 -12.144 -8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.852 -12.159 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.302 -11.359 -10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.098 -12.345 -6.311 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.699 -11.605 -10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.495 -12.579 -6.826 1.00 0.00 H new ATOM 0 HH TYR A 19 -25.060 -12.383 -8.295 1.00 0.00 H new ATOM 258 N ALA A 20 -18.390 -8.474 -6.159 1.00 0.00 N ATOM 259 CA ALA A 20 -18.446 -7.948 -4.802 1.00 0.00 C ATOM 260 C ALA A 20 -17.821 -8.947 -3.825 1.00 0.00 C ATOM 261 O ALA A 20 -18.529 -9.778 -3.250 1.00 0.00 O ATOM 262 CB ALA A 20 -19.883 -7.624 -4.414 1.00 0.00 C ATOM 0 H ALA A 20 -17.840 -7.911 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.872 -7.022 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -19.906 -7.232 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.286 -6.878 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.487 -8.530 -4.468 1.00 0.00 H new ATOM 268 N ALA A 21 -16.504 -9.105 -3.969 1.00 0.00 N ATOM 269 CA ALA A 21 -15.767 -10.111 -3.223 1.00 0.00 C ATOM 270 C ALA A 21 -14.553 -9.485 -2.536 1.00 0.00 C ATOM 271 O ALA A 21 -14.372 -9.635 -1.328 1.00 0.00 O ATOM 272 CB ALA A 21 -15.345 -11.255 -4.139 1.00 0.00 C ATOM 0 H ALA A 21 -15.930 -8.544 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.421 -10.519 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.794 -11.998 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -16.230 -11.717 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.708 -10.868 -4.935 1.00 0.00 H new ATOM 278 N GLU A 22 -13.629 -8.999 -3.358 1.00 0.00 N ATOM 279 CA GLU A 22 -12.297 -8.633 -2.895 1.00 0.00 C ATOM 280 C GLU A 22 -11.945 -7.222 -3.364 1.00 0.00 C ATOM 281 O GLU A 22 -10.773 -6.866 -3.460 1.00 0.00 O ATOM 282 CB GLU A 22 -11.313 -9.666 -3.429 1.00 0.00 C ATOM 283 CG GLU A 22 -11.776 -11.098 -3.390 1.00 0.00 C ATOM 284 CD GLU A 22 -10.745 -12.159 -3.128 1.00 0.00 C ATOM 285 OE1 GLU A 22 -10.106 -12.717 -4.002 1.00 0.00 O ATOM 286 OE2 GLU A 22 -10.740 -12.519 -1.931 1.00 0.00 O ATOM 0 H GLU A 22 -13.781 -8.849 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.255 -8.626 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.072 -9.410 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.388 -9.588 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.545 -11.181 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.253 -11.322 -4.344 1.00 0.00 H new ATOM 293 N LYS A 23 -12.971 -6.482 -3.769 1.00 0.00 N ATOM 294 CA LYS A 23 -12.780 -5.245 -4.511 1.00 0.00 C ATOM 295 C LYS A 23 -12.758 -4.049 -3.544 1.00 0.00 C ATOM 296 O LYS A 23 -12.979 -4.232 -2.344 1.00 0.00 O ATOM 297 CB LYS A 23 -13.859 -5.014 -5.559 1.00 0.00 C ATOM 298 CG LYS A 23 -15.289 -5.152 -5.027 1.00 0.00 C ATOM 299 CD LYS A 23 -15.935 -3.816 -4.711 1.00 0.00 C ATOM 300 CE LYS A 23 -16.219 -3.586 -3.286 1.00 0.00 C ATOM 301 NZ LYS A 23 -17.279 -4.500 -2.788 1.00 0.00 N ATOM 0 H LYS A 23 -13.947 -6.720 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.826 -5.336 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.734 -4.016 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.716 -5.723 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.896 -5.678 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.278 -5.766 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.283 -3.020 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.868 -3.739 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.309 -3.732 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.530 -2.552 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.563 -4.213 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.103 -4.454 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.915 -5.474 -2.764 1.00 0.00 H new ATOM 315 N VAL A 24 -12.166 -2.952 -4.009 1.00 0.00 N ATOM 316 CA VAL A 24 -11.443 -2.033 -3.101 1.00 0.00 C ATOM 317 C VAL A 24 -11.325 -0.665 -3.745 1.00 0.00 C ATOM 318 O VAL A 24 -11.425 -0.535 -4.970 1.00 0.00 O ATOM 319 CB VAL A 24 -10.140 -2.698 -2.648 1.00 0.00 C ATOM 320 CG1 VAL A 24 -8.960 -2.469 -3.580 1.00 0.00 C ATOM 321 CG2 VAL A 24 -9.781 -2.342 -1.214 1.00 0.00 C ATOM 0 H VAL A 24 -12.165 -2.671 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.991 -1.843 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.350 -3.767 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.080 -2.974 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.193 -2.868 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.760 -1.400 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.850 -2.837 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.658 -1.263 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.578 -2.671 -0.547 1.00 0.00 H new ATOM 331 N ILE A 25 -10.817 0.292 -2.967 1.00 0.00 N ATOM 332 CA ILE A 25 -10.703 1.668 -3.428 1.00 0.00 C ATOM 333 C ILE A 25 -9.438 2.315 -2.872 1.00 0.00 C ATOM 334 O ILE A 25 -9.140 2.199 -1.685 1.00 0.00 O ATOM 335 CB ILE A 25 -11.995 2.483 -3.041 1.00 0.00 C ATOM 336 CG1 ILE A 25 -11.977 3.845 -3.783 1.00 0.00 C ATOM 337 CG2 ILE A 25 -12.158 2.654 -1.515 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.095 4.012 -4.841 1.00 0.00 C ATOM 0 H ILE A 25 -10.480 0.136 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.622 1.673 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.869 1.915 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.066 4.646 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.010 3.966 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.064 3.223 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.229 1.673 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.296 3.187 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.008 4.992 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.997 3.236 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.069 3.926 -4.358 1.00 0.00 H new ATOM 350 N GLY A 26 -8.789 3.112 -3.715 1.00 0.00 N ATOM 351 CA GLY A 26 -7.722 3.999 -3.270 1.00 0.00 C ATOM 352 C GLY A 26 -7.555 5.160 -4.247 1.00 0.00 C ATOM 353 O GLY A 26 -7.357 4.949 -5.443 1.00 0.00 O ATOM 0 H GLY A 26 -8.985 3.161 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.950 4.382 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.787 3.444 -3.192 1.00 0.00 H new ATOM 357 N ALA A 27 -7.431 6.358 -3.688 1.00 0.00 N ATOM 358 CA ALA A 27 -7.081 7.541 -4.458 1.00 0.00 C ATOM 359 C ALA A 27 -8.158 7.839 -5.497 1.00 0.00 C ATOM 360 O ALA A 27 -9.108 8.570 -5.227 1.00 0.00 O ATOM 361 CB ALA A 27 -5.716 7.364 -5.115 1.00 0.00 C ATOM 0 H ALA A 27 -7.570 6.534 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.021 8.394 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.469 8.258 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.960 7.205 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.742 6.502 -5.782 1.00 0.00 H new ATOM 367 N GLY A 28 -8.060 7.153 -6.631 1.00 0.00 N ATOM 368 CA GLY A 28 -9.093 7.200 -7.654 1.00 0.00 C ATOM 369 C GLY A 28 -9.076 5.925 -8.490 1.00 0.00 C ATOM 370 O GLY A 28 -8.979 5.974 -9.714 1.00 0.00 O ATOM 0 H GLY A 28 -7.268 6.554 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.070 7.322 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.937 8.066 -8.297 1.00 0.00 H new ATOM 374 N LYS A 29 -9.038 4.792 -7.798 1.00 0.00 N ATOM 375 CA LYS A 29 -8.819 3.502 -8.439 1.00 0.00 C ATOM 376 C LYS A 29 -9.621 2.414 -7.732 1.00 0.00 C ATOM 377 O LYS A 29 -9.764 2.430 -6.511 1.00 0.00 O ATOM 378 CB LYS A 29 -7.340 3.111 -8.439 1.00 0.00 C ATOM 379 CG LYS A 29 -6.614 3.429 -9.746 1.00 0.00 C ATOM 380 CD LYS A 29 -5.923 4.780 -9.731 1.00 0.00 C ATOM 381 CE LYS A 29 -5.243 5.143 -10.985 1.00 0.00 C ATOM 382 NZ LYS A 29 -4.536 3.979 -11.576 1.00 0.00 N ATOM 0 H LYS A 29 -9.157 4.742 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.152 3.598 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.838 3.628 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.257 2.043 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.875 2.652 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.330 3.403 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.662 5.547 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.192 4.789 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.973 5.527 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.530 5.945 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.894 4.307 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.987 3.494 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.231 3.319 -11.980 1.00 0.00 H new ATOM 396 N SER A 30 -10.038 1.419 -8.507 1.00 0.00 N ATOM 397 CA SER A 30 -10.591 0.191 -7.950 1.00 0.00 C ATOM 398 C SER A 30 -9.605 -0.961 -8.127 1.00 0.00 C ATOM 399 O SER A 30 -8.761 -0.926 -9.025 1.00 0.00 O ATOM 400 CB SER A 30 -11.944 -0.143 -8.562 1.00 0.00 C ATOM 401 OG SER A 30 -12.906 -0.443 -7.567 1.00 0.00 O ATOM 0 H SER A 30 -10.003 1.440 -9.526 1.00 0.00 H new ATOM 0 HA SER A 30 -10.753 0.347 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.290 0.699 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.839 -0.993 -9.236 1.00 0.00 H new ATOM 0 HG SER A 30 -12.461 -0.534 -6.699 1.00 0.00 H new ATOM 407 N TRP A 31 -9.575 -1.844 -7.133 1.00 0.00 N ATOM 408 CA TRP A 31 -8.552 -2.874 -7.048 1.00 0.00 C ATOM 409 C TRP A 31 -9.137 -4.136 -6.390 1.00 0.00 C ATOM 410 O TRP A 31 -10.089 -4.028 -5.613 1.00 0.00 O ATOM 411 CB TRP A 31 -7.292 -2.398 -6.344 1.00 0.00 C ATOM 412 CG TRP A 31 -7.070 -0.922 -6.304 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.951 0.023 -5.827 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.793 -0.261 -6.362 1.00 0.00 C ATOM 415 NE1 TRP A 31 -7.356 1.264 -5.844 1.00 0.00 N ATOM 416 CE2 TRP A 31 -6.027 1.112 -6.123 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.502 -0.699 -6.632 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -5.011 2.056 -6.180 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.487 0.235 -6.664 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.736 1.591 -6.460 1.00 0.00 C ATOM 0 H TRP A 31 -10.254 -1.864 -6.372 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.241 -3.120 -8.064 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.313 -2.768 -5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.433 -2.859 -6.832 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.957 -0.179 -5.490 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.829 2.152 -5.676 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.298 -1.744 -6.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.205 3.105 -6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.475 -0.093 -6.852 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.918 2.294 -6.521 1.00 0.00 H new ATOM 431 N HIS A 32 -8.331 -5.191 -6.403 1.00 0.00 N ATOM 432 CA HIS A 32 -8.536 -6.341 -5.531 1.00 0.00 C ATOM 433 C HIS A 32 -7.727 -6.168 -4.244 1.00 0.00 C ATOM 434 O HIS A 32 -6.609 -5.653 -4.273 1.00 0.00 O ATOM 435 CB HIS A 32 -8.151 -7.693 -6.181 1.00 0.00 C ATOM 436 CG HIS A 32 -9.131 -8.127 -7.236 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.852 -8.101 -8.586 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.213 -8.942 -7.101 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.861 -8.661 -9.237 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.662 -9.232 -8.363 1.00 0.00 N ATOM 0 H HIS A 32 -7.520 -5.273 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.606 -6.375 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.159 -7.609 -6.624 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.091 -8.460 -5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.638 -9.294 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.003 -8.651 -10.308 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.481 -9.797 -8.588 1.00 0.00 H new ATOM 448 N LYS A 33 -8.187 -6.851 -3.200 1.00 0.00 N ATOM 449 CA LYS A 33 -7.427 -6.986 -1.967 1.00 0.00 C ATOM 450 C LYS A 33 -6.120 -7.729 -2.225 1.00 0.00 C ATOM 451 O LYS A 33 -5.145 -7.556 -1.495 1.00 0.00 O ATOM 452 CB LYS A 33 -8.217 -7.731 -0.888 1.00 0.00 C ATOM 453 CG LYS A 33 -8.567 -9.172 -1.261 1.00 0.00 C ATOM 454 CD LYS A 33 -9.841 -9.665 -0.598 1.00 0.00 C ATOM 455 CE LYS A 33 -9.815 -9.662 0.872 1.00 0.00 C ATOM 456 NZ LYS A 33 -10.916 -10.482 1.437 1.00 0.00 N ATOM 0 H LYS A 33 -9.091 -7.323 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.219 -5.977 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.637 -7.735 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.138 -7.185 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.676 -9.245 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.741 -9.825 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.672 -9.044 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.043 -10.680 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.857 -10.047 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.898 -8.638 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.869 -10.458 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.831 -10.099 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.821 -11.464 1.108 1.00 0.00 H new ATOM 470 N SER A 34 -6.052 -8.356 -3.396 1.00 0.00 N ATOM 471 CA SER A 34 -4.853 -9.059 -3.823 1.00 0.00 C ATOM 472 C SER A 34 -4.226 -8.365 -5.029 1.00 0.00 C ATOM 473 O SER A 34 -3.314 -8.901 -5.658 1.00 0.00 O ATOM 474 CB SER A 34 -5.138 -10.527 -4.120 1.00 0.00 C ATOM 475 OG SER A 34 -4.320 -11.382 -3.343 1.00 0.00 O ATOM 0 H SER A 34 -6.819 -8.390 -4.067 1.00 0.00 H new ATOM 0 HA SER A 34 -4.138 -9.030 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.187 -10.743 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.970 -10.724 -5.179 1.00 0.00 H new ATOM 0 HG SER A 34 -4.528 -12.316 -3.555 1.00 0.00 H new ATOM 481 N CYS A 35 -4.620 -7.114 -5.237 1.00 0.00 N ATOM 482 CA CYS A 35 -3.923 -6.230 -6.164 1.00 0.00 C ATOM 483 C CYS A 35 -3.522 -4.937 -5.460 1.00 0.00 C ATOM 484 O CYS A 35 -3.436 -3.880 -6.080 1.00 0.00 O ATOM 485 CB CYS A 35 -4.771 -5.954 -7.403 1.00 0.00 C ATOM 486 SG CYS A 35 -5.082 -7.410 -8.433 1.00 0.00 S ATOM 0 H CYS A 35 -5.422 -6.687 -4.774 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.014 -6.728 -6.501 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.727 -5.535 -7.089 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.274 -5.195 -8.007 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.992 -7.129 -9.318 1.00 0.00 H new ATOM 491 N PHE A 36 -3.409 -5.021 -4.138 1.00 0.00 N ATOM 492 CA PHE A 36 -3.278 -3.839 -3.298 1.00 0.00 C ATOM 493 C PHE A 36 -1.944 -3.867 -2.553 1.00 0.00 C ATOM 494 O PHE A 36 -1.838 -4.475 -1.487 1.00 0.00 O ATOM 495 CB PHE A 36 -4.424 -3.682 -2.266 1.00 0.00 C ATOM 496 CG PHE A 36 -4.730 -2.245 -1.963 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.747 -1.265 -1.820 1.00 0.00 C ATOM 498 CD2 PHE A 36 -6.076 -1.890 -1.836 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.094 0.046 -1.478 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.443 -0.590 -1.523 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.454 0.382 -1.364 1.00 0.00 C ATOM 0 H PHE A 36 -3.406 -5.902 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.329 -2.985 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.322 -4.169 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.151 -4.195 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.709 -1.521 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.840 -2.638 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.329 0.788 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.485 -0.332 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.737 1.402 -1.151 1.00 0.00 H new ATOM 511 N ARG A 37 -0.899 -3.421 -3.244 1.00 0.00 N ATOM 512 CA ARG A 37 0.471 -3.646 -2.806 1.00 0.00 C ATOM 513 C ARG A 37 1.180 -2.311 -2.579 1.00 0.00 C ATOM 514 O ARG A 37 1.365 -1.536 -3.519 1.00 0.00 O ATOM 515 CB ARG A 37 1.261 -4.486 -3.816 1.00 0.00 C ATOM 516 CG ARG A 37 1.265 -3.934 -5.235 1.00 0.00 C ATOM 517 CD ARG A 37 2.600 -3.384 -5.607 1.00 0.00 C ATOM 518 NE ARG A 37 2.492 -2.122 -6.326 1.00 0.00 N ATOM 519 CZ ARG A 37 2.217 -2.044 -7.630 1.00 0.00 C ATOM 520 NH1 ARG A 37 2.220 -3.122 -8.406 1.00 0.00 N ATOM 521 NH2 ARG A 37 1.988 -0.848 -8.176 1.00 0.00 N ATOM 0 H ARG A 37 -0.978 -2.898 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 37 0.427 -4.201 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.291 -4.571 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.846 -5.494 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.989 -4.724 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.511 -3.152 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.195 -3.237 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.131 -4.108 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 37 2.633 -1.255 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.436 -4.036 -8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.006 -3.036 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.024 -0.008 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.777 -0.774 -9.171 1.00 0.00 H new ATOM 535 N CYS A 38 1.792 -2.186 -1.407 1.00 0.00 N ATOM 536 CA CYS A 38 2.785 -1.152 -1.151 1.00 0.00 C ATOM 537 C CYS A 38 3.964 -1.299 -2.115 1.00 0.00 C ATOM 538 O CYS A 38 4.952 -1.963 -1.783 1.00 0.00 O ATOM 539 CB CYS A 38 3.251 -1.191 0.303 1.00 0.00 C ATOM 540 SG CYS A 38 4.165 0.278 0.831 1.00 0.00 S ATOM 0 H CYS A 38 1.614 -2.797 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 38 2.324 -0.179 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.381 -1.315 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.882 -2.068 0.447 1.00 0.00 H new ATOM 0 HG CYS A 38 4.080 0.401 2.122 1.00 0.00 H new ATOM 545 N ALA A 39 4.003 -0.394 -3.090 1.00 0.00 N ATOM 546 CA ALA A 39 5.151 -0.250 -3.970 1.00 0.00 C ATOM 547 C ALA A 39 6.385 0.178 -3.177 1.00 0.00 C ATOM 548 O ALA A 39 7.494 0.204 -3.714 1.00 0.00 O ATOM 549 CB ALA A 39 4.845 0.750 -5.081 1.00 0.00 C ATOM 0 H ALA A 39 3.242 0.255 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 39 5.362 -1.216 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.714 0.848 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.993 0.398 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.609 1.720 -4.643 1.00 0.00 H new ATOM 555 N LYS A 40 6.142 0.721 -1.990 1.00 0.00 N ATOM 556 CA LYS A 40 7.148 1.482 -1.263 1.00 0.00 C ATOM 557 C LYS A 40 8.131 0.545 -0.568 1.00 0.00 C ATOM 558 O LYS A 40 9.345 0.701 -0.707 1.00 0.00 O ATOM 559 CB LYS A 40 6.523 2.411 -0.221 1.00 0.00 C ATOM 560 CG LYS A 40 7.325 3.688 0.033 1.00 0.00 C ATOM 561 CD LYS A 40 6.973 4.812 -0.924 1.00 0.00 C ATOM 562 CE LYS A 40 8.054 5.203 -1.844 1.00 0.00 C ATOM 563 NZ LYS A 40 8.613 6.533 -1.490 1.00 0.00 N ATOM 0 H LYS A 40 5.247 0.646 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 40 7.673 2.092 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.519 2.683 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.417 1.868 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.151 4.022 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.389 3.465 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.106 4.511 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.676 5.685 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.846 4.455 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.674 5.227 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.372 6.779 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.861 7.250 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.997 6.502 -0.524 1.00 0.00 H new ATOM 577 N CYS A 41 7.602 -0.212 0.397 1.00 0.00 N ATOM 578 CA CYS A 41 8.415 -1.173 1.129 1.00 0.00 C ATOM 579 C CYS A 41 8.435 -2.517 0.410 1.00 0.00 C ATOM 580 O CYS A 41 9.441 -3.224 0.420 1.00 0.00 O ATOM 581 CB CYS A 41 8.011 -1.281 2.587 1.00 0.00 C ATOM 582 SG CYS A 41 6.334 -1.858 2.917 1.00 0.00 S ATOM 0 H CYS A 41 6.624 -0.176 0.684 1.00 0.00 H new ATOM 0 HA CYS A 41 9.440 -0.803 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.708 -1.955 3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.131 -0.301 3.048 1.00 0.00 H new ATOM 0 HG CYS A 41 5.489 -1.157 2.221 1.00 0.00 H new ATOM 587 N GLY A 42 7.386 -2.753 -0.375 1.00 0.00 N ATOM 588 CA GLY A 42 7.314 -3.919 -1.240 1.00 0.00 C ATOM 589 C GLY A 42 6.537 -5.042 -0.559 1.00 0.00 C ATOM 590 O GLY A 42 6.537 -6.180 -1.025 1.00 0.00 O ATOM 0 H GLY A 42 6.570 -2.144 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.831 -3.653 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.320 -4.261 -1.484 1.00 0.00 H new ATOM 594 N LYS A 43 5.763 -4.667 0.453 1.00 0.00 N ATOM 595 CA LYS A 43 4.800 -5.571 1.066 1.00 0.00 C ATOM 596 C LYS A 43 3.400 -5.308 0.518 1.00 0.00 C ATOM 597 O LYS A 43 2.910 -4.182 0.555 1.00 0.00 O ATOM 598 CB LYS A 43 4.772 -5.426 2.589 1.00 0.00 C ATOM 599 CG LYS A 43 4.193 -6.641 3.315 1.00 0.00 C ATOM 600 CD LYS A 43 3.853 -6.360 4.767 1.00 0.00 C ATOM 601 CE LYS A 43 4.982 -5.899 5.591 1.00 0.00 C ATOM 602 NZ LYS A 43 4.527 -5.013 6.691 1.00 0.00 N ATOM 0 H LYS A 43 5.785 -3.736 0.868 1.00 0.00 H new ATOM 0 HA LYS A 43 5.113 -6.586 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.787 -5.251 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.185 -4.545 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.294 -6.973 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.910 -7.461 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.066 -5.607 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.445 -7.268 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.504 -6.760 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.697 -5.365 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.347 -4.706 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.050 -4.180 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.864 -5.531 7.302 1.00 0.00 H new ATOM 616 N SER A 44 2.727 -6.387 0.135 1.00 0.00 N ATOM 617 CA SER A 44 1.303 -6.340 -0.168 1.00 0.00 C ATOM 618 C SER A 44 0.485 -6.416 1.117 1.00 0.00 C ATOM 619 O SER A 44 0.887 -7.065 2.082 1.00 0.00 O ATOM 620 CB SER A 44 0.902 -7.440 -1.142 1.00 0.00 C ATOM 621 OG SER A 44 2.030 -7.989 -1.799 1.00 0.00 O ATOM 0 H SER A 44 3.148 -7.310 0.027 1.00 0.00 H new ATOM 0 HA SER A 44 1.092 -5.388 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.373 -8.228 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.209 -7.038 -1.881 1.00 0.00 H new ATOM 0 HG SER A 44 1.739 -8.693 -2.416 1.00 0.00 H new ATOM 627 N LEU A 45 -0.523 -5.547 1.197 1.00 0.00 N ATOM 628 CA LEU A 45 -1.423 -5.529 2.339 1.00 0.00 C ATOM 629 C LEU A 45 -2.750 -4.872 1.960 1.00 0.00 C ATOM 630 O LEU A 45 -3.079 -4.772 0.777 1.00 0.00 O ATOM 631 CB LEU A 45 -0.702 -4.841 3.506 1.00 0.00 C ATOM 632 CG LEU A 45 0.163 -3.638 3.174 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.695 -2.439 2.791 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.023 -3.305 4.388 1.00 0.00 C ATOM 0 H LEU A 45 -0.733 -4.849 0.483 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.680 -6.539 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.454 -4.527 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.074 -5.583 4.000 1.00 0.00 H new ATOM 0 HG LEU A 45 0.798 -3.876 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.051 -1.591 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.298 -2.687 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.350 -2.180 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.650 -2.442 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.380 -3.075 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.655 -4.159 4.632 1.00 0.00 H new ATOM 646 N GLU A 46 -3.594 -4.673 2.967 1.00 0.00 N ATOM 647 CA GLU A 46 -5.013 -4.409 2.750 1.00 0.00 C ATOM 648 C GLU A 46 -5.497 -3.321 3.709 1.00 0.00 C ATOM 649 O GLU A 46 -4.687 -2.644 4.342 1.00 0.00 O ATOM 650 CB GLU A 46 -5.769 -5.715 2.957 1.00 0.00 C ATOM 651 CG GLU A 46 -5.802 -6.238 4.368 1.00 0.00 C ATOM 652 CD GLU A 46 -5.503 -7.696 4.579 1.00 0.00 C ATOM 653 OE1 GLU A 46 -4.393 -8.184 4.471 1.00 0.00 O ATOM 654 OE2 GLU A 46 -6.487 -8.313 5.042 1.00 0.00 O ATOM 0 H GLU A 46 -3.318 -4.690 3.949 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.190 -4.046 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.795 -5.576 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.322 -6.477 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.089 -5.661 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.792 -6.036 4.778 1.00 0.00 H new ATOM 661 N SER A 47 -6.784 -3.011 3.608 1.00 0.00 N ATOM 662 CA SER A 47 -7.343 -1.811 4.217 1.00 0.00 C ATOM 663 C SER A 47 -7.278 -1.908 5.738 1.00 0.00 C ATOM 664 O SER A 47 -6.886 -2.935 6.289 1.00 0.00 O ATOM 665 CB SER A 47 -8.767 -1.554 3.742 1.00 0.00 C ATOM 666 OG SER A 47 -9.077 -2.320 2.592 1.00 0.00 O ATOM 0 H SER A 47 -7.465 -3.580 3.105 1.00 0.00 H new ATOM 0 HA SER A 47 -6.740 -0.960 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.467 -1.796 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.892 -0.494 3.519 1.00 0.00 H new ATOM 0 HG SER A 47 -9.998 -2.134 2.313 1.00 0.00 H new ATOM 672 N THR A 48 -7.549 -0.784 6.394 1.00 0.00 N ATOM 673 CA THR A 48 -7.282 -0.639 7.818 1.00 0.00 C ATOM 674 C THR A 48 -5.790 -0.805 8.098 1.00 0.00 C ATOM 675 O THR A 48 -5.397 -1.176 9.204 1.00 0.00 O ATOM 676 CB THR A 48 -8.129 -1.667 8.679 1.00 0.00 C ATOM 677 OG1 THR A 48 -9.358 -1.907 7.922 1.00 0.00 O ATOM 678 CG2 THR A 48 -8.414 -1.193 10.103 1.00 0.00 C ATOM 0 H THR A 48 -7.956 0.043 5.958 1.00 0.00 H new ATOM 0 HA THR A 48 -7.586 0.365 8.113 1.00 0.00 H new ATOM 0 HB THR A 48 -7.560 -2.585 8.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.924 -2.541 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.997 -1.949 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.473 -1.031 10.628 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.976 -0.260 10.070 1.00 0.00 H new ATOM 686 N THR A 49 -5.009 -0.768 7.023 1.00 0.00 N ATOM 687 CA THR A 49 -3.581 -1.031 7.098 1.00 0.00 C ATOM 688 C THR A 49 -2.896 -0.649 5.789 1.00 0.00 C ATOM 689 O THR A 49 -1.807 -1.135 5.485 1.00 0.00 O ATOM 690 CB THR A 49 -3.285 -2.548 7.459 1.00 0.00 C ATOM 691 OG1 THR A 49 -4.383 -3.319 6.876 1.00 0.00 O ATOM 692 CG2 THR A 49 -3.130 -2.807 8.956 1.00 0.00 C ATOM 0 H THR A 49 -5.347 -0.557 6.084 1.00 0.00 H new ATOM 0 HA THR A 49 -3.174 -0.415 7.899 1.00 0.00 H new ATOM 0 HB THR A 49 -2.320 -2.847 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.570 -2.990 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.930 -3.865 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.301 -2.215 9.344 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.049 -2.526 9.471 1.00 0.00 H new ATOM 700 N LEU A 50 -3.462 0.350 5.123 1.00 0.00 N ATOM 701 CA LEU A 50 -2.870 0.905 3.915 1.00 0.00 C ATOM 702 C LEU A 50 -3.286 2.363 3.737 1.00 0.00 C ATOM 703 O LEU A 50 -3.986 2.925 4.577 1.00 0.00 O ATOM 704 CB LEU A 50 -3.262 0.002 2.735 1.00 0.00 C ATOM 705 CG LEU A 50 -4.728 -0.015 2.338 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.082 1.203 1.497 1.00 0.00 C ATOM 707 CD2 LEU A 50 -5.007 -1.293 1.554 1.00 0.00 C ATOM 0 H LEU A 50 -4.337 0.794 5.403 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.782 0.921 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.679 0.308 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.964 -1.019 2.976 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.342 0.015 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.137 1.165 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.887 2.110 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.476 1.208 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.057 -1.319 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.382 -1.316 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.782 -2.159 2.177 1.00 0.00 H new ATOM 719 N ALA A 51 -2.717 2.995 2.716 1.00 0.00 N ATOM 720 CA ALA A 51 -2.827 4.437 2.545 1.00 0.00 C ATOM 721 C ALA A 51 -2.467 4.830 1.113 1.00 0.00 C ATOM 722 O ALA A 51 -1.294 5.026 0.795 1.00 0.00 O ATOM 723 CB ALA A 51 -1.937 5.160 3.551 1.00 0.00 C ATOM 0 H ALA A 51 -2.172 2.527 1.991 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.859 4.736 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.030 6.237 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.245 4.898 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.900 4.862 3.399 1.00 0.00 H new ATOM 729 N ASP A 52 -3.497 5.211 0.362 1.00 0.00 N ATOM 730 CA ASP A 52 -3.320 5.682 -1.003 1.00 0.00 C ATOM 731 C ASP A 52 -3.126 7.196 -1.023 1.00 0.00 C ATOM 732 O ASP A 52 -3.355 7.873 -0.024 1.00 0.00 O ATOM 733 CB ASP A 52 -4.432 5.182 -1.922 1.00 0.00 C ATOM 734 CG ASP A 52 -5.818 5.341 -1.325 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.300 6.495 -1.350 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.372 4.394 -0.749 1.00 0.00 O ATOM 0 H ASP A 52 -4.466 5.201 0.680 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.406 5.251 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.386 5.725 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.260 4.130 -2.150 1.00 0.00 H new ATOM 741 N LYS A 53 -2.576 7.683 -2.130 1.00 0.00 N ATOM 742 CA LYS A 53 -2.155 9.074 -2.233 1.00 0.00 C ATOM 743 C LYS A 53 -1.881 9.441 -3.688 1.00 0.00 C ATOM 744 O LYS A 53 -0.853 9.069 -4.251 1.00 0.00 O ATOM 745 CB LYS A 53 -0.900 9.352 -1.405 1.00 0.00 C ATOM 746 CG LYS A 53 0.293 8.467 -1.769 1.00 0.00 C ATOM 747 CD LYS A 53 1.404 8.510 -0.737 1.00 0.00 C ATOM 748 CE LYS A 53 1.879 9.860 -0.393 1.00 0.00 C ATOM 749 NZ LYS A 53 1.980 10.723 -1.597 1.00 0.00 N ATOM 0 H LYS A 53 -2.411 7.131 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.970 9.683 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.617 10.397 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.135 9.212 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.048 7.438 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.690 8.782 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.054 8.021 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.247 7.928 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.198 10.315 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.854 9.792 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.802 11.353 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.094 10.128 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.115 11.293 -1.689 1.00 0.00 H new ATOM 763 N ASP A 54 -2.754 10.276 -4.243 1.00 0.00 N ATOM 764 CA ASP A 54 -2.467 10.975 -5.490 1.00 0.00 C ATOM 765 C ASP A 54 -2.232 9.977 -6.619 1.00 0.00 C ATOM 766 O ASP A 54 -1.716 10.329 -7.677 1.00 0.00 O ATOM 767 CB ASP A 54 -1.346 11.997 -5.314 1.00 0.00 C ATOM 768 CG ASP A 54 -1.828 13.327 -4.765 1.00 0.00 C ATOM 769 OD1 ASP A 54 -2.816 13.893 -5.252 1.00 0.00 O ATOM 770 OD2 ASP A 54 -1.189 13.789 -3.795 1.00 0.00 O ATOM 0 H ASP A 54 -3.670 10.485 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.339 11.561 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.592 11.587 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.861 12.163 -6.276 1.00 0.00 H new ATOM 775 N GLY A 55 -2.687 8.748 -6.398 1.00 0.00 N ATOM 776 CA GLY A 55 -2.739 7.747 -7.455 1.00 0.00 C ATOM 777 C GLY A 55 -1.763 6.613 -7.164 1.00 0.00 C ATOM 778 O GLY A 55 -1.995 5.466 -7.539 1.00 0.00 O ATOM 0 H GLY A 55 -3.026 8.422 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.751 7.351 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.496 8.208 -8.413 1.00 0.00 H new ATOM 782 N GLU A 56 -0.698 6.947 -6.442 1.00 0.00 N ATOM 783 CA GLU A 56 0.201 5.937 -5.892 1.00 0.00 C ATOM 784 C GLU A 56 -0.040 5.792 -4.386 1.00 0.00 C ATOM 785 O GLU A 56 -0.895 6.476 -3.826 1.00 0.00 O ATOM 786 CB GLU A 56 1.630 6.366 -6.191 1.00 0.00 C ATOM 787 CG GLU A 56 1.876 6.922 -7.569 1.00 0.00 C ATOM 788 CD GLU A 56 3.305 7.118 -7.997 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.205 6.340 -7.731 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.496 8.255 -8.480 1.00 0.00 O ATOM 0 H GLU A 56 -0.436 7.908 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 56 0.017 4.963 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.923 7.119 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.285 5.507 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.398 6.258 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.370 7.885 -7.638 1.00 0.00 H new ATOM 797 N ILE A 57 0.546 4.743 -3.814 1.00 0.00 N ATOM 798 CA ILE A 57 0.076 4.204 -2.539 1.00 0.00 C ATOM 799 C ILE A 57 1.230 3.580 -1.768 1.00 0.00 C ATOM 800 O ILE A 57 1.989 2.772 -2.302 1.00 0.00 O ATOM 801 CB ILE A 57 -1.102 3.189 -2.789 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.559 1.932 -3.517 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.282 3.832 -3.554 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.599 0.801 -3.703 1.00 0.00 C ATOM 0 H ILE A 57 1.345 4.250 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.315 5.012 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.504 2.889 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.184 2.228 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.289 1.540 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.068 3.091 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.676 4.669 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.935 4.190 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.135 -0.039 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.958 0.473 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.438 1.171 -4.292 1.00 0.00 H new ATOM 816 N TYR A 58 1.343 3.943 -0.492 1.00 0.00 N ATOM 817 CA TYR A 58 2.118 3.141 0.458 1.00 0.00 C ATOM 818 C TYR A 58 1.242 2.766 1.652 1.00 0.00 C ATOM 819 O TYR A 58 0.022 2.938 1.610 1.00 0.00 O ATOM 820 CB TYR A 58 3.386 3.885 0.907 1.00 0.00 C ATOM 821 CG TYR A 58 3.128 5.095 1.780 1.00 0.00 C ATOM 822 CD1 TYR A 58 2.153 6.026 1.419 1.00 0.00 C ATOM 823 CD2 TYR A 58 3.739 5.233 3.028 1.00 0.00 C ATOM 824 CE1 TYR A 58 1.827 7.091 2.253 1.00 0.00 C ATOM 825 CE2 TYR A 58 3.424 6.294 3.875 1.00 0.00 C ATOM 826 CZ TYR A 58 2.466 7.225 3.476 1.00 0.00 C ATOM 827 OH TYR A 58 2.122 8.286 4.267 1.00 0.00 O ATOM 0 H TYR A 58 0.914 4.778 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 58 2.441 2.225 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.026 3.190 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.938 4.202 0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.642 5.918 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.470 4.503 3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.080 7.809 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.917 6.394 4.831 1.00 0.00 H new ATOM 0 HH TYR A 58 1.978 7.976 5.186 1.00 0.00 H new ATOM 837 N CYS A 59 1.847 2.115 2.647 1.00 0.00 N ATOM 838 CA CYS A 59 1.084 1.220 3.528 1.00 0.00 C ATOM 839 C CYS A 59 0.980 1.796 4.926 1.00 0.00 C ATOM 840 O CYS A 59 1.699 2.731 5.290 1.00 0.00 O ATOM 841 CB CYS A 59 1.562 -0.208 3.438 1.00 0.00 C ATOM 842 SG CYS A 59 3.093 -0.677 4.239 1.00 0.00 S ATOM 0 H CYS A 59 2.841 2.185 2.863 1.00 0.00 H new ATOM 0 HA CYS A 59 0.054 1.163 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.774 -0.842 3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.658 -0.454 2.381 1.00 0.00 H new ATOM 0 HG CYS A 59 3.977 0.261 4.069 1.00 0.00 H new ATOM 847 N LYS A 60 -0.038 1.348 5.663 1.00 0.00 N ATOM 848 CA LYS A 60 -0.120 1.635 7.093 1.00 0.00 C ATOM 849 C LYS A 60 0.934 0.821 7.847 1.00 0.00 C ATOM 850 O LYS A 60 1.432 1.261 8.885 1.00 0.00 O ATOM 851 CB LYS A 60 -1.499 1.310 7.662 1.00 0.00 C ATOM 852 CG LYS A 60 -1.930 2.226 8.809 1.00 0.00 C ATOM 853 CD LYS A 60 -3.429 2.215 9.047 1.00 0.00 C ATOM 854 CE LYS A 60 -4.239 2.684 7.912 1.00 0.00 C ATOM 855 NZ LYS A 60 -4.317 4.166 7.876 1.00 0.00 N ATOM 0 H LYS A 60 -0.809 0.790 5.296 1.00 0.00 H new ATOM 0 HA LYS A 60 0.060 2.702 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.236 1.376 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.502 0.278 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.421 1.919 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.610 3.245 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.735 1.199 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.649 2.838 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.808 2.318 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.244 2.267 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.895 4.464 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.751 4.512 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.360 4.562 7.783 1.00 0.00 H new ATOM 869 N GLY A 61 1.489 -0.161 7.142 1.00 0.00 N ATOM 870 CA GLY A 61 2.709 -0.833 7.562 1.00 0.00 C ATOM 871 C GLY A 61 3.888 0.128 7.576 1.00 0.00 C ATOM 872 O GLY A 61 4.960 -0.190 8.094 1.00 0.00 O ATOM 0 H GLY A 61 1.104 -0.511 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.570 -1.257 8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.921 -1.663 6.888 1.00 0.00 H new ATOM 876 N CYS A 62 3.680 1.317 7.016 1.00 0.00 N ATOM 877 CA CYS A 62 4.797 2.192 6.657 1.00 0.00 C ATOM 878 C CYS A 62 4.722 3.476 7.492 1.00 0.00 C ATOM 879 O CYS A 62 5.621 3.749 8.287 1.00 0.00 O ATOM 880 CB CYS A 62 4.788 2.506 5.167 1.00 0.00 C ATOM 881 SG CYS A 62 6.000 1.603 4.174 1.00 0.00 S ATOM 0 H CYS A 62 2.758 1.696 6.802 1.00 0.00 H new ATOM 0 HA CYS A 62 5.735 1.681 6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.793 2.295 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.961 3.574 5.037 1.00 0.00 H new ATOM 0 HG CYS A 62 5.890 1.956 2.928 1.00 0.00 H new ATOM 886 N TYR A 63 3.516 4.035 7.541 1.00 0.00 N ATOM 887 CA TYR A 63 3.177 5.069 8.507 1.00 0.00 C ATOM 888 C TYR A 63 3.335 4.539 9.930 1.00 0.00 C ATOM 889 O TYR A 63 3.648 5.294 10.849 1.00 0.00 O ATOM 890 CB TYR A 63 1.745 5.597 8.276 1.00 0.00 C ATOM 891 CG TYR A 63 1.664 7.088 8.044 1.00 0.00 C ATOM 892 CD1 TYR A 63 2.229 7.999 8.940 1.00 0.00 C ATOM 893 CD2 TYR A 63 1.007 7.594 6.922 1.00 0.00 C ATOM 894 CE1 TYR A 63 2.128 9.374 8.735 1.00 0.00 C ATOM 895 CE2 TYR A 63 0.905 8.963 6.697 1.00 0.00 C ATOM 896 CZ TYR A 63 1.484 9.849 7.594 1.00 0.00 C ATOM 897 OH TYR A 63 1.410 11.185 7.314 1.00 0.00 O ATOM 0 H TYR A 63 2.751 3.784 6.914 1.00 0.00 H new ATOM 0 HA TYR A 63 3.866 5.903 8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.315 5.083 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.132 5.341 9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.754 7.631 9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.568 6.908 6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.545 10.064 9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.379 9.334 5.830 1.00 0.00 H new ATOM 0 HH TYR A 63 0.922 11.317 6.474 1.00 0.00 H new ATOM 907 N ALA A 64 3.386 3.212 10.031 1.00 0.00 N ATOM 908 CA ALA A 64 3.570 2.548 11.313 1.00 0.00 C ATOM 909 C ALA A 64 5.047 2.233 11.539 1.00 0.00 C ATOM 910 O ALA A 64 5.607 2.562 12.582 1.00 0.00 O ATOM 911 CB ALA A 64 2.723 1.280 11.380 1.00 0.00 C ATOM 0 H ALA A 64 3.302 2.577 9.237 1.00 0.00 H new ATOM 0 HA ALA A 64 3.240 3.218 12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.871 0.794 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.671 1.539 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.022 0.600 10.582 1.00 0.00 H new ATOM 917 N LYS A 65 5.614 1.467 10.614 1.00 0.00 N ATOM 918 CA LYS A 65 6.923 0.857 10.815 1.00 0.00 C ATOM 919 C LYS A 65 7.985 1.932 11.016 1.00 0.00 C ATOM 920 O LYS A 65 9.007 1.701 11.658 1.00 0.00 O ATOM 921 CB LYS A 65 7.325 -0.027 9.632 1.00 0.00 C ATOM 922 CG LYS A 65 8.668 -0.733 9.816 1.00 0.00 C ATOM 923 CD LYS A 65 8.536 -2.112 10.436 1.00 0.00 C ATOM 924 CE LYS A 65 8.733 -3.233 9.503 1.00 0.00 C ATOM 925 NZ LYS A 65 7.926 -3.061 8.269 1.00 0.00 N ATOM 0 H LYS A 65 5.185 1.253 9.714 1.00 0.00 H new ATOM 0 HA LYS A 65 6.853 0.233 11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.550 -0.777 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.368 0.585 8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.160 -0.822 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.312 -0.118 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.260 -2.201 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.546 -2.200 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.788 -3.309 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.458 -4.168 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.783 -3.986 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.003 -2.649 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.426 -2.427 7.613 1.00 0.00 H new ATOM 939 N ASN A 66 7.664 3.142 10.565 1.00 0.00 N ATOM 940 CA ASN A 66 8.623 4.238 10.571 1.00 0.00 C ATOM 941 C ASN A 66 8.136 5.363 11.480 1.00 0.00 C ATOM 942 O ASN A 66 8.484 6.526 11.285 1.00 0.00 O ATOM 943 CB ASN A 66 8.975 4.687 9.156 1.00 0.00 C ATOM 944 CG ASN A 66 10.468 4.729 8.893 1.00 0.00 C ATOM 945 OD1 ASN A 66 11.185 5.572 9.451 1.00 0.00 O ATOM 946 ND2 ASN A 66 10.948 3.806 8.061 1.00 0.00 N ATOM 0 H ASN A 66 6.747 3.386 10.191 1.00 0.00 H new ATOM 0 HA ASN A 66 9.564 3.887 10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.506 4.011 8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.555 5.677 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.947 3.772 7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.316 3.133 7.626 1.00 0.00 H new