USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 130:sc= 1.15 USER MOD Set 1.2: A 56 SER OG : rot -160:sc= 0 USER MOD Set 1.3: A 61 CYS SG : rot 67:sc= 0.519 USER MOD Set 1.4: A 66 CYS SG : rot -158:sc= 0.637 USER MOD Set 1.5: A 70 HIS : no HE2:sc= 0.118 K(o=2.4,f=1.4) USER MOD Set 2.1: A 19 CYS SG : rot 137:sc= 1.05 USER MOD Set 2.2: A 27 CYS SG : rot 136:sc= 0.853 USER MOD Set 2.3: A 34 CYS SG : rot 139:sc= 0.984 USER MOD Set 2.4: A 38 HIS : no HD1:sc= -0.25 K(o=2.6,f=1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00307) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.474 K(o=0.47,f=-0.09) USER MOD Single : A 47 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 58:sc= 0.00269 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.102 (180deg=-0.47) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.27) USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 0.32 (180deg=0.0113) USER MOD Single : A 77 THR OG1 : rot 70:sc= 0.98 USER MOD Single : A 78 GLN : amide:sc= 0.548 K(o=0.55,f=-0.016) USER MOD Single : A 82 ASN : amide:sc= -0.0901 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.988 8.061 11.503 1.00 0.00 N ATOM 143 CA ASP A 10 24.755 8.863 11.446 1.00 0.00 C ATOM 144 C ASP A 10 23.487 8.143 11.956 1.00 0.00 C ATOM 145 O ASP A 10 22.806 7.429 11.233 1.00 0.00 O ATOM 146 CB ASP A 10 24.576 9.344 9.995 1.00 0.00 C ATOM 147 CG ASP A 10 23.323 10.199 9.799 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.962 10.937 10.745 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.732 10.107 8.700 1.00 0.00 O ATOM 0 HA ASP A 10 24.874 9.700 12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.452 9.920 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.525 8.478 9.335 1.00 0.00 H new ATOM 154 N THR A 11 23.083 8.412 13.192 1.00 0.00 N ATOM 155 CA THR A 11 21.884 7.823 13.820 1.00 0.00 C ATOM 156 C THR A 11 20.555 8.314 13.238 1.00 0.00 C ATOM 157 O THR A 11 19.527 7.667 13.452 1.00 0.00 O ATOM 158 CB THR A 11 21.909 8.035 15.342 1.00 0.00 C ATOM 159 OG1 THR A 11 22.209 9.383 15.646 1.00 0.00 O ATOM 160 CG2 THR A 11 22.977 7.147 15.987 1.00 0.00 C ATOM 0 H THR A 11 23.582 9.056 13.805 1.00 0.00 H new ATOM 0 HA THR A 11 21.933 6.759 13.590 1.00 0.00 H new ATOM 0 HB THR A 11 20.925 7.776 15.732 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.220 9.504 16.618 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.982 7.309 17.065 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.755 6.101 15.778 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.955 7.399 15.578 1.00 0.00 H new ATOM 168 N LYS A 12 20.548 9.407 12.458 1.00 0.00 N ATOM 169 CA LYS A 12 19.337 9.967 11.823 1.00 0.00 C ATOM 170 C LYS A 12 18.634 8.984 10.880 1.00 0.00 C ATOM 171 O LYS A 12 17.414 9.048 10.735 1.00 0.00 O ATOM 172 CB LYS A 12 19.658 11.278 11.086 1.00 0.00 C ATOM 173 CG LYS A 12 20.198 12.366 12.031 1.00 0.00 C ATOM 174 CD LYS A 12 20.585 13.658 11.294 1.00 0.00 C ATOM 175 CE LYS A 12 19.422 14.345 10.565 1.00 0.00 C ATOM 176 NZ LYS A 12 18.371 14.795 11.504 1.00 0.00 N ATOM 0 H LYS A 12 21.394 9.936 12.246 1.00 0.00 H new ATOM 0 HA LYS A 12 18.640 10.172 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.393 11.082 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.758 11.644 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.443 12.595 12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.069 11.981 12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.011 14.358 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.367 13.429 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.799 15.201 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.990 13.655 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.612 15.269 10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.981 13.973 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.781 15.460 12.191 1.00 0.00 H new ATOM 190 N TRP A 13 19.380 8.058 10.267 1.00 0.00 N ATOM 191 CA TRP A 13 18.805 7.010 9.411 1.00 0.00 C ATOM 192 C TRP A 13 18.367 5.774 10.220 1.00 0.00 C ATOM 193 O TRP A 13 17.569 4.988 9.720 1.00 0.00 O ATOM 194 CB TRP A 13 19.765 6.653 8.264 1.00 0.00 C ATOM 195 CG TRP A 13 20.826 5.620 8.522 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.118 5.856 8.857 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.707 4.162 8.414 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.790 4.656 8.962 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.983 3.581 8.675 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.657 3.267 8.106 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.219 2.201 8.597 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.874 1.878 8.041 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.155 1.346 8.271 1.00 0.00 C ATOM 0 H TRP A 13 20.396 8.012 10.349 1.00 0.00 H new ATOM 0 HA TRP A 13 17.896 7.410 8.962 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.164 6.310 7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.263 7.570 7.949 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.553 6.831 9.017 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.773 4.576 9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.668 3.657 7.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.205 1.802 8.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.051 1.217 7.813 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.320 0.281 8.197 1.00 0.00 H new ATOM 214 N LEU A 14 18.836 5.626 11.468 1.00 0.00 N ATOM 215 CA LEU A 14 18.487 4.538 12.395 1.00 0.00 C ATOM 216 C LEU A 14 17.355 4.914 13.374 1.00 0.00 C ATOM 217 O LEU A 14 16.806 4.021 14.021 1.00 0.00 O ATOM 218 CB LEU A 14 19.736 4.105 13.191 1.00 0.00 C ATOM 219 CG LEU A 14 20.822 3.368 12.385 1.00 0.00 C ATOM 220 CD1 LEU A 14 22.033 3.138 13.290 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.372 1.988 11.899 1.00 0.00 C ATOM 0 H LEU A 14 19.496 6.288 11.876 1.00 0.00 H new ATOM 0 HA LEU A 14 18.120 3.713 11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.183 4.992 13.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.417 3.460 14.009 1.00 0.00 H new ATOM 0 HG LEU A 14 21.047 3.991 11.519 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.811 2.616 12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.416 4.098 13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.736 2.535 14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.180 1.519 11.338 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.117 1.366 12.757 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.498 2.096 11.256 1.00 0.00 H new ATOM 233 N THR A 15 16.990 6.192 13.529 1.00 0.00 N ATOM 234 CA THR A 15 15.927 6.603 14.468 1.00 0.00 C ATOM 235 C THR A 15 14.502 6.394 13.932 1.00 0.00 C ATOM 236 O THR A 15 14.234 6.561 12.741 1.00 0.00 O ATOM 237 CB THR A 15 16.038 8.087 14.872 1.00 0.00 C ATOM 238 OG1 THR A 15 16.453 8.914 13.803 1.00 0.00 O ATOM 239 CG2 THR A 15 17.017 8.287 16.024 1.00 0.00 C ATOM 0 H THR A 15 17.414 6.965 13.017 1.00 0.00 H new ATOM 0 HA THR A 15 16.088 5.952 15.327 1.00 0.00 H new ATOM 0 HB THR A 15 15.032 8.374 15.178 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.506 9.843 14.110 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.067 9.346 16.279 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.679 7.720 16.891 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.006 7.938 15.726 1.00 0.00 H new ATOM 247 N LEU A 16 13.571 6.082 14.845 1.00 0.00 N ATOM 248 CA LEU A 16 12.129 5.900 14.614 1.00 0.00 C ATOM 249 C LEU A 16 11.324 6.715 15.636 1.00 0.00 C ATOM 250 O LEU A 16 11.779 6.961 16.754 1.00 0.00 O ATOM 251 CB LEU A 16 11.768 4.402 14.633 1.00 0.00 C ATOM 252 CG LEU A 16 12.268 3.644 13.390 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.999 2.149 13.532 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.581 4.135 12.108 1.00 0.00 C ATOM 0 H LEU A 16 13.819 5.941 15.824 1.00 0.00 H new ATOM 0 HA LEU A 16 11.867 6.276 13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.193 3.943 15.526 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.686 4.296 14.705 1.00 0.00 H new ATOM 0 HG LEU A 16 13.339 3.833 13.316 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.359 1.629 12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.518 1.768 14.411 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.928 1.981 13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.962 3.575 11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.505 3.983 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.788 5.196 11.968 1.00 0.00 H new ATOM 266 N GLU A 17 10.139 7.174 15.230 1.00 0.00 N ATOM 267 CA GLU A 17 9.260 8.042 16.024 1.00 0.00 C ATOM 268 C GLU A 17 8.330 7.281 16.978 1.00 0.00 C ATOM 269 O GLU A 17 7.755 6.248 16.632 1.00 0.00 O ATOM 270 CB GLU A 17 8.496 8.956 15.053 1.00 0.00 C ATOM 271 CG GLU A 17 7.455 9.862 15.726 1.00 0.00 C ATOM 272 CD GLU A 17 7.020 11.045 14.843 1.00 0.00 C ATOM 273 OE1 GLU A 17 7.038 10.911 13.595 1.00 0.00 O ATOM 274 OE2 GLU A 17 6.680 12.106 15.419 1.00 0.00 O ATOM 0 H GLU A 17 9.751 6.947 14.314 1.00 0.00 H new ATOM 0 HA GLU A 17 9.875 8.642 16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.213 9.580 14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.995 8.338 14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.578 9.268 15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.866 10.246 16.660 1.00 0.00 H new ATOM 281 N VAL A 18 8.180 7.829 18.189 1.00 0.00 N ATOM 282 CA VAL A 18 7.339 7.302 19.274 1.00 0.00 C ATOM 283 C VAL A 18 5.923 7.880 19.189 1.00 0.00 C ATOM 284 O VAL A 18 5.749 9.070 18.909 1.00 0.00 O ATOM 285 CB VAL A 18 7.982 7.634 20.639 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.159 7.138 21.833 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.378 7.008 20.731 1.00 0.00 C ATOM 0 H VAL A 18 8.661 8.689 18.453 1.00 0.00 H new ATOM 0 HA VAL A 18 7.266 6.219 19.171 1.00 0.00 H new ATOM 0 HB VAL A 18 8.031 8.722 20.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.667 7.404 22.760 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.173 7.602 21.813 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.051 6.055 21.776 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.822 7.249 21.697 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.299 5.926 20.627 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.008 7.404 19.934 1.00 0.00 H new ATOM 297 N CYS A 19 4.908 7.050 19.443 1.00 0.00 N ATOM 298 CA CYS A 19 3.502 7.455 19.418 1.00 0.00 C ATOM 299 C CYS A 19 3.222 8.563 20.454 1.00 0.00 C ATOM 300 O CYS A 19 3.529 8.421 21.644 1.00 0.00 O ATOM 301 CB CYS A 19 2.649 6.200 19.638 1.00 0.00 C ATOM 302 SG CYS A 19 0.869 6.512 19.432 1.00 0.00 S ATOM 0 H CYS A 19 5.042 6.066 19.675 1.00 0.00 H new ATOM 0 HA CYS A 19 3.244 7.892 18.453 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.961 5.427 18.936 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.832 5.813 20.641 1.00 0.00 H new ATOM 0 HG CYS A 19 0.334 5.542 18.751 1.00 0.00 H new ATOM 307 N ARG A 20 2.654 9.691 20.007 1.00 0.00 N ATOM 308 CA ARG A 20 2.341 10.847 20.871 1.00 0.00 C ATOM 309 C ARG A 20 1.295 10.524 21.941 1.00 0.00 C ATOM 310 O ARG A 20 1.362 11.072 23.038 1.00 0.00 O ATOM 311 CB ARG A 20 1.952 12.066 20.014 1.00 0.00 C ATOM 312 CG ARG A 20 3.150 12.976 19.686 1.00 0.00 C ATOM 313 CD ARG A 20 4.311 12.263 18.979 1.00 0.00 C ATOM 314 NE ARG A 20 5.443 13.181 18.758 1.00 0.00 N ATOM 315 CZ ARG A 20 6.722 12.842 18.731 1.00 0.00 C ATOM 316 NH1 ARG A 20 7.643 13.761 18.601 1.00 0.00 N ATOM 317 NH2 ARG A 20 7.126 11.604 18.834 1.00 0.00 N ATOM 0 H ARG A 20 2.396 9.832 19.030 1.00 0.00 H new ATOM 0 HA ARG A 20 3.246 11.100 21.424 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.500 11.721 19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.195 12.647 20.540 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.806 13.797 19.057 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.520 13.417 20.611 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.639 11.414 19.579 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.969 11.865 18.023 1.00 0.00 H new ATOM 0 HE ARG A 20 5.221 14.166 18.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.377 14.742 18.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.628 13.497 18.581 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.445 10.852 18.940 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.123 11.389 18.808 1.00 0.00 H new ATOM 331 N GLU A 21 0.379 9.594 21.673 1.00 0.00 N ATOM 332 CA GLU A 21 -0.592 9.125 22.669 1.00 0.00 C ATOM 333 C GLU A 21 0.096 8.187 23.680 1.00 0.00 C ATOM 334 O GLU A 21 -0.175 8.271 24.877 1.00 0.00 O ATOM 335 CB GLU A 21 -1.783 8.441 21.979 1.00 0.00 C ATOM 336 CG GLU A 21 -2.656 9.386 21.139 1.00 0.00 C ATOM 337 CD GLU A 21 -3.513 10.317 22.007 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.708 9.994 22.217 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.986 11.367 22.446 1.00 0.00 O ATOM 0 H GLU A 21 0.287 9.144 20.763 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.981 9.982 23.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.407 7.645 21.336 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.406 7.969 22.739 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.017 9.985 20.490 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.306 8.797 20.492 1.00 0.00 H new ATOM 346 N PHE A 22 1.043 7.341 23.254 1.00 0.00 N ATOM 347 CA PHE A 22 1.828 6.489 24.162 1.00 0.00 C ATOM 348 C PHE A 22 2.705 7.348 25.087 1.00 0.00 C ATOM 349 O PHE A 22 2.770 7.106 26.293 1.00 0.00 O ATOM 350 CB PHE A 22 2.679 5.516 23.341 1.00 0.00 C ATOM 351 CG PHE A 22 3.500 4.535 24.152 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.877 4.760 24.350 1.00 0.00 C ATOM 353 CD2 PHE A 22 2.893 3.387 24.694 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.641 3.840 25.088 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.658 2.467 25.435 1.00 0.00 C ATOM 356 CZ PHE A 22 5.032 2.693 25.630 1.00 0.00 C ATOM 0 H PHE A 22 1.288 7.227 22.270 1.00 0.00 H new ATOM 0 HA PHE A 22 1.150 5.914 24.793 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.022 4.954 22.678 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.353 6.093 22.708 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.345 5.640 23.934 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.838 3.212 24.541 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.696 4.013 25.239 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.190 1.588 25.853 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.620 1.986 26.196 1.00 0.00 H new ATOM 366 N GLN A 23 3.313 8.407 24.538 1.00 0.00 N ATOM 367 CA GLN A 23 4.112 9.410 25.254 1.00 0.00 C ATOM 368 C GLN A 23 3.301 10.155 26.343 1.00 0.00 C ATOM 369 O GLN A 23 3.884 10.722 27.271 1.00 0.00 O ATOM 370 CB GLN A 23 4.703 10.368 24.202 1.00 0.00 C ATOM 371 CG GLN A 23 5.779 11.326 24.735 1.00 0.00 C ATOM 372 CD GLN A 23 6.430 12.163 23.629 1.00 0.00 C ATOM 373 OE1 GLN A 23 5.904 12.357 22.541 1.00 0.00 O ATOM 374 NE2 GLN A 23 7.609 12.700 23.863 1.00 0.00 N ATOM 0 H GLN A 23 3.259 8.597 23.537 1.00 0.00 H new ATOM 0 HA GLN A 23 4.915 8.917 25.802 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.132 9.777 23.393 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.893 10.957 23.772 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.332 11.992 25.473 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.549 10.751 25.249 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.067 12.552 24.762 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.064 13.264 23.145 1.00 0.00 H new ATOM 383 N ARG A 24 1.960 10.119 26.262 1.00 0.00 N ATOM 384 CA ARG A 24 1.001 10.713 27.217 1.00 0.00 C ATOM 385 C ARG A 24 0.203 9.661 28.013 1.00 0.00 C ATOM 386 O ARG A 24 -0.618 10.027 28.856 1.00 0.00 O ATOM 387 CB ARG A 24 0.063 11.677 26.463 1.00 0.00 C ATOM 388 CG ARG A 24 0.797 12.936 25.974 1.00 0.00 C ATOM 389 CD ARG A 24 -0.168 13.969 25.374 1.00 0.00 C ATOM 390 NE ARG A 24 -0.758 13.518 24.098 1.00 0.00 N ATOM 391 CZ ARG A 24 -0.436 13.930 22.882 1.00 0.00 C ATOM 392 NH1 ARG A 24 -1.097 13.483 21.851 1.00 0.00 N ATOM 393 NH2 ARG A 24 0.519 14.793 22.645 1.00 0.00 N ATOM 0 H ARG A 24 1.488 9.651 25.489 1.00 0.00 H new ATOM 0 HA ARG A 24 1.575 11.265 27.961 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.377 11.160 25.610 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.758 11.968 27.118 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.338 13.386 26.806 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.539 12.656 25.226 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.966 14.173 26.088 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.363 14.907 25.213 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.493 12.813 24.160 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.859 12.818 21.983 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.852 13.798 20.912 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.058 15.183 23.419 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.725 15.076 21.687 1.00 0.00 H new ATOM 407 N GLY A 25 0.442 8.368 27.778 1.00 0.00 N ATOM 408 CA GLY A 25 -0.229 7.251 28.454 1.00 0.00 C ATOM 409 C GLY A 25 -1.704 7.057 28.067 1.00 0.00 C ATOM 410 O GLY A 25 -2.496 6.613 28.903 1.00 0.00 O ATOM 0 H GLY A 25 1.129 8.059 27.091 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.314 6.332 28.233 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.168 7.407 29.531 1.00 0.00 H new ATOM 414 N THR A 26 -2.091 7.409 26.835 1.00 0.00 N ATOM 415 CA THR A 26 -3.482 7.355 26.331 1.00 0.00 C ATOM 416 C THR A 26 -3.708 6.442 25.113 1.00 0.00 C ATOM 417 O THR A 26 -4.865 6.210 24.749 1.00 0.00 O ATOM 418 CB THR A 26 -4.005 8.768 26.016 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.143 9.435 25.117 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.116 9.638 27.270 1.00 0.00 C ATOM 0 H THR A 26 -1.431 7.750 26.136 1.00 0.00 H new ATOM 0 HA THR A 26 -4.046 6.905 27.148 1.00 0.00 H new ATOM 0 HB THR A 26 -4.994 8.630 25.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.495 10.330 24.929 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.489 10.625 26.996 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.804 9.173 27.976 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.134 9.737 27.732 1.00 0.00 H new ATOM 428 N CYS A 27 -2.653 5.892 24.492 1.00 0.00 N ATOM 429 CA CYS A 27 -2.777 4.964 23.356 1.00 0.00 C ATOM 430 C CYS A 27 -3.334 3.592 23.807 1.00 0.00 C ATOM 431 O CYS A 27 -3.039 3.126 24.917 1.00 0.00 O ATOM 432 CB CYS A 27 -1.406 4.833 22.665 1.00 0.00 C ATOM 433 SG CYS A 27 -1.552 4.164 20.972 1.00 0.00 S ATOM 0 H CYS A 27 -1.688 6.078 24.764 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.494 5.362 22.638 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.924 5.810 22.628 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.763 4.182 23.257 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.790 4.845 20.169 1.00 0.00 H new ATOM 438 N SER A 28 -4.116 2.936 22.940 1.00 0.00 N ATOM 439 CA SER A 28 -4.738 1.622 23.190 1.00 0.00 C ATOM 440 C SER A 28 -4.697 0.721 21.944 1.00 0.00 C ATOM 441 O SER A 28 -5.730 0.267 21.439 1.00 0.00 O ATOM 442 CB SER A 28 -6.185 1.794 23.690 1.00 0.00 C ATOM 443 OG SER A 28 -6.241 2.488 24.930 1.00 0.00 O ATOM 0 H SER A 28 -4.342 3.312 22.019 1.00 0.00 H new ATOM 0 HA SER A 28 -4.155 1.128 23.967 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.764 2.338 22.944 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.649 0.814 23.802 1.00 0.00 H new ATOM 0 HG SER A 28 -7.175 2.578 25.212 1.00 0.00 H new ATOM 449 N ARG A 29 -3.484 0.432 21.456 1.00 0.00 N ATOM 450 CA ARG A 29 -3.175 -0.443 20.306 1.00 0.00 C ATOM 451 C ARG A 29 -1.794 -1.097 20.495 1.00 0.00 C ATOM 452 O ARG A 29 -0.922 -0.487 21.126 1.00 0.00 O ATOM 453 CB ARG A 29 -3.148 0.376 18.994 1.00 0.00 C ATOM 454 CG ARG A 29 -4.502 0.896 18.484 1.00 0.00 C ATOM 455 CD ARG A 29 -5.487 -0.235 18.151 1.00 0.00 C ATOM 456 NE ARG A 29 -6.730 0.279 17.547 1.00 0.00 N ATOM 457 CZ ARG A 29 -7.790 0.746 18.191 1.00 0.00 C ATOM 458 NH1 ARG A 29 -8.837 1.149 17.522 1.00 0.00 N ATOM 459 NH2 ARG A 29 -7.853 0.830 19.494 1.00 0.00 N ATOM 0 H ARG A 29 -2.640 0.823 21.874 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.949 -1.208 20.248 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.486 1.230 19.138 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.704 -0.243 18.214 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.944 1.546 19.239 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.341 1.505 17.594 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.014 -0.938 17.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.726 -0.787 19.060 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.779 0.275 16.528 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.839 1.104 16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.652 1.508 18.019 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.062 0.528 20.063 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.693 1.197 19.941 1.00 0.00 H new ATOM 473 N PRO A 30 -1.556 -2.308 19.958 1.00 0.00 N ATOM 474 CA PRO A 30 -0.252 -2.958 20.053 1.00 0.00 C ATOM 475 C PRO A 30 0.757 -2.270 19.122 1.00 0.00 C ATOM 476 O PRO A 30 0.395 -1.752 18.062 1.00 0.00 O ATOM 477 CB PRO A 30 -0.500 -4.414 19.646 1.00 0.00 C ATOM 478 CG PRO A 30 -1.656 -4.306 18.654 1.00 0.00 C ATOM 479 CD PRO A 30 -2.484 -3.140 19.198 1.00 0.00 C ATOM 0 HA PRO A 30 0.173 -2.897 21.055 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.383 -4.860 19.189 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.762 -5.033 20.504 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.300 -4.109 17.643 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.238 -5.227 18.613 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.941 -2.574 18.386 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.295 -3.499 19.832 1.00 0.00 H new ATOM 487 N ASP A 31 2.041 -2.311 19.486 1.00 0.00 N ATOM 488 CA ASP A 31 3.151 -1.745 18.696 1.00 0.00 C ATOM 489 C ASP A 31 3.145 -2.227 17.229 1.00 0.00 C ATOM 490 O ASP A 31 3.494 -1.484 16.314 1.00 0.00 O ATOM 491 CB ASP A 31 4.460 -2.137 19.395 1.00 0.00 C ATOM 492 CG ASP A 31 5.705 -1.619 18.668 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.309 -2.422 17.923 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.062 -0.437 18.879 1.00 0.00 O ATOM 0 H ASP A 31 2.350 -2.746 20.355 1.00 0.00 H new ATOM 0 HA ASP A 31 3.041 -0.662 18.649 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.452 -1.748 20.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.515 -3.223 19.469 1.00 0.00 H new ATOM 499 N THR A 32 2.718 -3.474 17.013 1.00 0.00 N ATOM 500 CA THR A 32 2.613 -4.147 15.711 1.00 0.00 C ATOM 501 C THR A 32 1.593 -3.519 14.753 1.00 0.00 C ATOM 502 O THR A 32 1.716 -3.690 13.540 1.00 0.00 O ATOM 503 CB THR A 32 2.203 -5.614 15.935 1.00 0.00 C ATOM 504 OG1 THR A 32 2.854 -6.170 17.063 1.00 0.00 O ATOM 505 CG2 THR A 32 2.506 -6.534 14.751 1.00 0.00 C ATOM 0 H THR A 32 2.420 -4.075 17.781 1.00 0.00 H new ATOM 0 HA THR A 32 3.594 -4.050 15.247 1.00 0.00 H new ATOM 0 HB THR A 32 1.124 -5.566 16.079 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.571 -7.101 17.178 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.188 -7.549 14.988 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.969 -6.182 13.870 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.577 -6.527 14.550 1.00 0.00 H new ATOM 513 N GLU A 33 0.594 -2.790 15.262 1.00 0.00 N ATOM 514 CA GLU A 33 -0.479 -2.185 14.450 1.00 0.00 C ATOM 515 C GLU A 33 -0.557 -0.654 14.553 1.00 0.00 C ATOM 516 O GLU A 33 -1.101 -0.018 13.644 1.00 0.00 O ATOM 517 CB GLU A 33 -1.835 -2.802 14.830 1.00 0.00 C ATOM 518 CG GLU A 33 -1.905 -4.313 14.566 1.00 0.00 C ATOM 519 CD GLU A 33 -3.319 -4.850 14.822 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.641 -5.120 16.004 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.086 -4.987 13.838 1.00 0.00 O ATOM 0 H GLU A 33 0.503 -2.599 16.260 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.232 -2.407 13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.030 -2.614 15.886 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.624 -2.304 14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.614 -4.520 13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.193 -4.832 15.208 1.00 0.00 H new ATOM 528 N CYS A 34 -0.007 -0.050 15.613 1.00 0.00 N ATOM 529 CA CYS A 34 0.018 1.411 15.759 1.00 0.00 C ATOM 530 C CYS A 34 0.985 2.039 14.725 1.00 0.00 C ATOM 531 O CYS A 34 2.001 1.438 14.358 1.00 0.00 O ATOM 532 CB CYS A 34 0.368 1.779 17.211 1.00 0.00 C ATOM 533 SG CYS A 34 -0.176 3.482 17.595 1.00 0.00 S ATOM 0 H CYS A 34 0.429 -0.553 16.386 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.969 1.825 15.550 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.109 1.077 17.895 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.444 1.692 17.364 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.686 3.516 18.791 1.00 0.00 H new ATOM 538 N LYS A 35 0.674 3.245 14.230 1.00 0.00 N ATOM 539 CA LYS A 35 1.460 3.962 13.201 1.00 0.00 C ATOM 540 C LYS A 35 2.868 4.417 13.632 1.00 0.00 C ATOM 541 O LYS A 35 3.652 4.841 12.781 1.00 0.00 O ATOM 542 CB LYS A 35 0.641 5.142 12.640 1.00 0.00 C ATOM 543 CG LYS A 35 0.369 6.248 13.676 1.00 0.00 C ATOM 544 CD LYS A 35 -0.352 7.468 13.084 1.00 0.00 C ATOM 545 CE LYS A 35 0.520 8.211 12.065 1.00 0.00 C ATOM 546 NZ LYS A 35 -0.147 9.442 11.589 1.00 0.00 N ATOM 0 H LYS A 35 -0.148 3.766 14.537 1.00 0.00 H new ATOM 0 HA LYS A 35 1.650 3.226 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.173 5.573 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.310 4.767 12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.232 5.837 14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.315 6.569 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.276 7.146 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.631 8.149 13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.478 8.465 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.732 7.558 11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.465 9.925 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.050 9.195 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.326 10.074 12.395 1.00 0.00 H new ATOM 560 N PHE A 36 3.192 4.326 14.921 1.00 0.00 N ATOM 561 CA PHE A 36 4.468 4.724 15.532 1.00 0.00 C ATOM 562 C PHE A 36 4.963 3.671 16.550 1.00 0.00 C ATOM 563 O PHE A 36 4.332 2.631 16.747 1.00 0.00 O ATOM 564 CB PHE A 36 4.302 6.114 16.172 1.00 0.00 C ATOM 565 CG PHE A 36 4.090 7.286 15.226 1.00 0.00 C ATOM 566 CD1 PHE A 36 3.041 8.198 15.460 1.00 0.00 C ATOM 567 CD2 PHE A 36 4.969 7.505 14.147 1.00 0.00 C ATOM 568 CE1 PHE A 36 2.865 9.310 14.617 1.00 0.00 C ATOM 569 CE2 PHE A 36 4.784 8.609 13.296 1.00 0.00 C ATOM 570 CZ PHE A 36 3.735 9.514 13.532 1.00 0.00 C ATOM 0 H PHE A 36 2.538 3.952 15.609 1.00 0.00 H new ATOM 0 HA PHE A 36 5.236 4.781 14.761 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.455 6.073 16.857 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.188 6.319 16.773 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.369 8.042 16.291 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.788 6.823 13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.061 10.007 14.803 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.449 8.762 12.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.598 10.365 12.881 1.00 0.00 H new ATOM 580 N ALA A 37 6.118 3.916 17.179 1.00 0.00 N ATOM 581 CA ALA A 37 6.758 2.983 18.105 1.00 0.00 C ATOM 582 C ALA A 37 6.307 3.175 19.572 1.00 0.00 C ATOM 583 O ALA A 37 6.048 4.294 20.020 1.00 0.00 O ATOM 584 CB ALA A 37 8.276 3.203 17.988 1.00 0.00 C ATOM 0 H ALA A 37 6.640 4.783 17.055 1.00 0.00 H new ATOM 0 HA ALA A 37 6.469 1.967 17.837 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.795 2.524 18.665 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.594 3.008 16.964 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.516 4.233 18.252 1.00 0.00 H new ATOM 590 N HIS A 38 6.251 2.068 20.323 1.00 0.00 N ATOM 591 CA HIS A 38 5.903 1.980 21.750 1.00 0.00 C ATOM 592 C HIS A 38 7.088 1.368 22.544 1.00 0.00 C ATOM 593 O HIS A 38 7.046 0.187 22.904 1.00 0.00 O ATOM 594 CB HIS A 38 4.596 1.179 21.933 1.00 0.00 C ATOM 595 CG HIS A 38 3.352 1.760 21.294 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.195 1.071 20.993 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.125 3.070 20.967 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.304 1.947 20.489 1.00 0.00 C ATOM 599 NE2 HIS A 38 1.828 3.182 20.451 1.00 0.00 N ATOM 0 H HIS A 38 6.460 1.152 19.927 1.00 0.00 H new ATOM 0 HA HIS A 38 5.724 2.979 22.148 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.750 0.178 21.531 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.411 1.068 23.001 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.828 3.881 21.087 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.307 1.691 20.161 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.373 4.031 20.114 1.00 0.00 H new ATOM 607 N PRO A 39 8.182 2.125 22.780 1.00 0.00 N ATOM 608 CA PRO A 39 9.389 1.634 23.457 1.00 0.00 C ATOM 609 C PRO A 39 9.217 1.361 24.962 1.00 0.00 C ATOM 610 O PRO A 39 8.276 1.829 25.607 1.00 0.00 O ATOM 611 CB PRO A 39 10.450 2.708 23.220 1.00 0.00 C ATOM 612 CG PRO A 39 9.623 3.987 23.122 1.00 0.00 C ATOM 613 CD PRO A 39 8.365 3.520 22.396 1.00 0.00 C ATOM 0 HA PRO A 39 9.660 0.661 23.048 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.169 2.753 24.038 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.017 2.522 22.308 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.394 4.397 24.106 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.146 4.765 22.566 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.502 4.121 22.682 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.477 3.617 21.316 1.00 0.00 H new ATOM 621 N SER A 40 10.184 0.634 25.526 1.00 0.00 N ATOM 622 CA SER A 40 10.286 0.292 26.953 1.00 0.00 C ATOM 623 C SER A 40 11.383 1.126 27.631 1.00 0.00 C ATOM 624 O SER A 40 12.199 1.764 26.963 1.00 0.00 O ATOM 625 CB SER A 40 10.584 -1.208 27.113 1.00 0.00 C ATOM 626 OG SER A 40 9.534 -1.989 26.560 1.00 0.00 O ATOM 0 H SER A 40 10.954 0.249 24.979 1.00 0.00 H new ATOM 0 HA SER A 40 9.335 0.519 27.435 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.525 -1.452 26.619 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.706 -1.449 28.169 1.00 0.00 H new ATOM 0 HG SER A 40 9.742 -2.941 26.669 1.00 0.00 H new ATOM 632 N LYS A 41 11.439 1.104 28.969 1.00 0.00 N ATOM 633 CA LYS A 41 12.418 1.862 29.786 1.00 0.00 C ATOM 634 C LYS A 41 13.893 1.597 29.440 1.00 0.00 C ATOM 635 O LYS A 41 14.745 2.456 29.665 1.00 0.00 O ATOM 636 CB LYS A 41 12.164 1.612 31.284 1.00 0.00 C ATOM 637 CG LYS A 41 10.785 2.120 31.743 1.00 0.00 C ATOM 638 CD LYS A 41 10.583 2.018 33.262 1.00 0.00 C ATOM 639 CE LYS A 41 10.581 0.567 33.756 1.00 0.00 C ATOM 640 NZ LYS A 41 10.344 0.500 35.213 1.00 0.00 N ATOM 0 H LYS A 41 10.795 0.550 29.533 1.00 0.00 H new ATOM 0 HA LYS A 41 12.252 2.911 29.541 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.240 0.544 31.488 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.941 2.105 31.868 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.666 3.159 31.435 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.007 1.547 31.239 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.374 2.570 33.769 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.640 2.492 33.533 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.809 0.003 33.233 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.535 0.097 33.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.348 -0.494 35.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.095 1.019 35.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.422 0.927 35.435 1.00 0.00 H new ATOM 654 N SER A 42 14.189 0.424 28.880 1.00 0.00 N ATOM 655 CA SER A 42 15.533 0.000 28.448 1.00 0.00 C ATOM 656 C SER A 42 15.993 0.627 27.118 1.00 0.00 C ATOM 657 O SER A 42 17.181 0.564 26.798 1.00 0.00 O ATOM 658 CB SER A 42 15.572 -1.528 28.295 1.00 0.00 C ATOM 659 OG SER A 42 15.101 -2.175 29.470 1.00 0.00 O ATOM 0 H SER A 42 13.478 -0.287 28.706 1.00 0.00 H new ATOM 0 HA SER A 42 16.214 0.348 29.224 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.961 -1.826 27.443 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.592 -1.849 28.084 1.00 0.00 H new ATOM 0 HG SER A 42 15.135 -3.146 29.345 1.00 0.00 H new ATOM 665 N CYS A 43 15.086 1.225 26.333 1.00 0.00 N ATOM 666 CA CYS A 43 15.397 1.855 25.047 1.00 0.00 C ATOM 667 C CYS A 43 15.973 3.280 25.206 1.00 0.00 C ATOM 668 O CYS A 43 15.733 3.954 26.210 1.00 0.00 O ATOM 669 CB CYS A 43 14.105 1.904 24.222 1.00 0.00 C ATOM 670 SG CYS A 43 13.582 0.236 23.728 1.00 0.00 S ATOM 0 H CYS A 43 14.098 1.284 26.581 1.00 0.00 H new ATOM 0 HA CYS A 43 16.165 1.264 24.548 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.315 2.379 24.805 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.259 2.518 23.335 1.00 0.00 H new ATOM 0 HG CYS A 43 12.485 0.313 23.034 1.00 0.00 H new ATOM 676 N GLN A 44 16.685 3.777 24.184 1.00 0.00 N ATOM 677 CA GLN A 44 17.262 5.137 24.149 1.00 0.00 C ATOM 678 C GLN A 44 16.219 6.210 23.760 1.00 0.00 C ATOM 679 O GLN A 44 16.421 6.995 22.832 1.00 0.00 O ATOM 680 CB GLN A 44 18.514 5.177 23.244 1.00 0.00 C ATOM 681 CG GLN A 44 19.596 4.146 23.605 1.00 0.00 C ATOM 682 CD GLN A 44 19.841 4.034 25.108 1.00 0.00 C ATOM 683 OE1 GLN A 44 20.299 4.957 25.765 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.510 2.913 25.711 1.00 0.00 N ATOM 0 H GLN A 44 16.882 3.238 23.341 1.00 0.00 H new ATOM 0 HA GLN A 44 17.579 5.386 25.162 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.205 5.014 22.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.950 6.175 23.293 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.303 3.170 23.217 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.528 4.419 23.111 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.127 2.137 25.171 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.636 2.819 26.719 1.00 0.00 H new ATOM 693 N VAL A 45 15.072 6.211 24.445 1.00 0.00 N ATOM 694 CA VAL A 45 13.942 7.126 24.203 1.00 0.00 C ATOM 695 C VAL A 45 14.313 8.573 24.557 1.00 0.00 C ATOM 696 O VAL A 45 14.633 8.874 25.709 1.00 0.00 O ATOM 697 CB VAL A 45 12.683 6.698 24.990 1.00 0.00 C ATOM 698 CG1 VAL A 45 11.447 7.430 24.451 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.413 5.189 24.896 1.00 0.00 C ATOM 0 H VAL A 45 14.894 5.557 25.207 1.00 0.00 H new ATOM 0 HA VAL A 45 13.714 7.073 23.138 1.00 0.00 H new ATOM 0 HB VAL A 45 12.871 6.956 26.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.566 7.120 25.014 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.586 8.506 24.558 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.310 7.185 23.398 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.517 4.943 25.467 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.266 4.910 23.853 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.263 4.641 25.302 1.00 0.00 H new ATOM 709 N GLU A 46 14.269 9.478 23.578 1.00 0.00 N ATOM 710 CA GLU A 46 14.578 10.907 23.749 1.00 0.00 C ATOM 711 C GLU A 46 13.838 11.757 22.702 1.00 0.00 C ATOM 712 O GLU A 46 13.767 11.378 21.533 1.00 0.00 O ATOM 713 CB GLU A 46 16.106 11.107 23.637 1.00 0.00 C ATOM 714 CG GLU A 46 16.594 12.547 23.859 1.00 0.00 C ATOM 715 CD GLU A 46 16.278 13.067 25.268 1.00 0.00 C ATOM 716 OE1 GLU A 46 17.169 12.986 26.147 1.00 0.00 O ATOM 717 OE2 GLU A 46 15.133 13.542 25.468 1.00 0.00 O ATOM 0 H GLU A 46 14.012 9.237 22.621 1.00 0.00 H new ATOM 0 HA GLU A 46 14.241 11.234 24.733 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.596 10.458 24.363 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.428 10.779 22.649 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.670 12.592 23.692 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.130 13.202 23.122 1.00 0.00 H new ATOM 724 N ASN A 47 13.299 12.915 23.107 1.00 0.00 N ATOM 725 CA ASN A 47 12.564 13.874 22.259 1.00 0.00 C ATOM 726 C ASN A 47 11.520 13.236 21.300 1.00 0.00 C ATOM 727 O ASN A 47 11.318 13.692 20.172 1.00 0.00 O ATOM 728 CB ASN A 47 13.600 14.782 21.561 1.00 0.00 C ATOM 729 CG ASN A 47 12.988 16.029 20.935 1.00 0.00 C ATOM 730 OD1 ASN A 47 12.059 16.634 21.455 1.00 0.00 O ATOM 731 ND2 ASN A 47 13.500 16.472 19.808 1.00 0.00 N ATOM 0 H ASN A 47 13.364 13.226 24.076 1.00 0.00 H new ATOM 0 HA ASN A 47 11.923 14.483 22.897 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.356 15.082 22.287 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.111 14.209 20.787 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.123 17.314 19.373 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.274 15.974 19.369 1.00 0.00 H new ATOM 738 N GLY A 48 10.862 12.151 21.731 1.00 0.00 N ATOM 739 CA GLY A 48 9.866 11.425 20.929 1.00 0.00 C ATOM 740 C GLY A 48 10.458 10.553 19.808 1.00 0.00 C ATOM 741 O GLY A 48 9.775 10.287 18.815 1.00 0.00 O ATOM 0 H GLY A 48 11.008 11.748 22.657 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.277 10.791 21.592 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.180 12.147 20.486 1.00 0.00 H new ATOM 745 N ARG A 49 11.717 10.124 19.944 1.00 0.00 N ATOM 746 CA ARG A 49 12.484 9.286 19.003 1.00 0.00 C ATOM 747 C ARG A 49 13.250 8.189 19.754 1.00 0.00 C ATOM 748 O ARG A 49 13.523 8.318 20.948 1.00 0.00 O ATOM 749 CB ARG A 49 13.507 10.158 18.241 1.00 0.00 C ATOM 750 CG ARG A 49 12.927 11.286 17.374 1.00 0.00 C ATOM 751 CD ARG A 49 12.058 10.739 16.237 1.00 0.00 C ATOM 752 NE ARG A 49 11.552 11.815 15.366 1.00 0.00 N ATOM 753 CZ ARG A 49 10.434 12.500 15.542 1.00 0.00 C ATOM 754 NH1 ARG A 49 10.063 13.396 14.671 1.00 0.00 N ATOM 755 NH2 ARG A 49 9.648 12.314 16.569 1.00 0.00 N ATOM 0 H ARG A 49 12.268 10.366 20.767 1.00 0.00 H new ATOM 0 HA ARG A 49 11.781 8.828 18.307 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.188 10.601 18.968 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.103 9.507 17.602 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.332 11.954 17.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.741 11.879 16.957 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.639 10.034 15.643 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.218 10.186 16.656 1.00 0.00 H new ATOM 0 HE ARG A 49 12.117 12.054 14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.636 13.573 13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.200 13.920 14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.887 11.618 17.275 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.795 12.865 16.665 1.00 0.00 H new ATOM 769 N VAL A 50 13.642 7.133 19.039 1.00 0.00 N ATOM 770 CA VAL A 50 14.492 6.042 19.553 1.00 0.00 C ATOM 771 C VAL A 50 15.390 5.543 18.431 1.00 0.00 C ATOM 772 O VAL A 50 14.927 5.374 17.304 1.00 0.00 O ATOM 773 CB VAL A 50 13.716 4.796 20.027 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.596 3.967 20.972 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.404 5.060 20.742 1.00 0.00 C ATOM 0 H VAL A 50 13.374 7.004 18.063 1.00 0.00 H new ATOM 0 HA VAL A 50 15.024 6.474 20.401 1.00 0.00 H new ATOM 0 HB VAL A 50 13.465 4.273 19.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.045 3.088 21.305 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.498 3.652 20.447 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.871 4.571 21.836 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.948 4.112 21.028 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.590 5.657 21.635 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.730 5.601 20.078 1.00 0.00 H new ATOM 785 N ILE A 51 16.648 5.243 18.741 1.00 0.00 N ATOM 786 CA ILE A 51 17.584 4.617 17.803 1.00 0.00 C ATOM 787 C ILE A 51 17.234 3.117 17.730 1.00 0.00 C ATOM 788 O ILE A 51 17.140 2.449 18.764 1.00 0.00 O ATOM 789 CB ILE A 51 19.032 4.863 18.283 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.368 6.372 18.268 1.00 0.00 C ATOM 791 CG2 ILE A 51 20.030 4.096 17.401 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.632 6.726 19.058 1.00 0.00 C ATOM 0 H ILE A 51 17.053 5.428 19.658 1.00 0.00 H new ATOM 0 HA ILE A 51 17.505 5.045 16.803 1.00 0.00 H new ATOM 0 HB ILE A 51 19.113 4.499 19.307 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.492 6.698 17.235 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.525 6.928 18.679 1.00 0.00 H new ATOM 0 HG21 ILE A 51 21.045 4.281 17.754 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.817 3.028 17.454 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.938 4.434 16.369 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.806 7.801 19.004 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.505 6.431 20.100 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.486 6.198 18.634 1.00 0.00 H new ATOM 804 N ALA A 52 17.017 2.585 16.528 1.00 0.00 N ATOM 805 CA ALA A 52 16.693 1.173 16.317 1.00 0.00 C ATOM 806 C ALA A 52 17.956 0.285 16.263 1.00 0.00 C ATOM 807 O ALA A 52 19.038 0.736 15.875 1.00 0.00 O ATOM 808 CB ALA A 52 15.858 1.045 15.038 1.00 0.00 C ATOM 0 H ALA A 52 17.061 3.126 15.665 1.00 0.00 H new ATOM 0 HA ALA A 52 16.114 0.814 17.168 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.610 -0.003 14.869 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.940 1.623 15.143 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.430 1.424 14.191 1.00 0.00 H new ATOM 814 N CYS A 53 17.808 -0.986 16.646 1.00 0.00 N ATOM 815 CA CYS A 53 18.872 -1.993 16.655 1.00 0.00 C ATOM 816 C CYS A 53 19.214 -2.429 15.213 1.00 0.00 C ATOM 817 O CYS A 53 18.404 -3.082 14.546 1.00 0.00 O ATOM 818 CB CYS A 53 18.379 -3.155 17.536 1.00 0.00 C ATOM 819 SG CYS A 53 19.603 -4.493 17.738 1.00 0.00 S ATOM 0 H CYS A 53 16.914 -1.355 16.969 1.00 0.00 H new ATOM 0 HA CYS A 53 19.801 -1.599 17.068 1.00 0.00 H new ATOM 0 HB2 CYS A 53 18.113 -2.766 18.519 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.470 -3.569 17.100 1.00 0.00 H new ATOM 0 HG CYS A 53 19.727 -4.781 19.000 1.00 0.00 H new ATOM 824 N PHE A 54 20.396 -2.062 14.703 1.00 0.00 N ATOM 825 CA PHE A 54 20.843 -2.432 13.351 1.00 0.00 C ATOM 826 C PHE A 54 20.882 -3.955 13.164 1.00 0.00 C ATOM 827 O PHE A 54 20.463 -4.456 12.122 1.00 0.00 O ATOM 828 CB PHE A 54 22.216 -1.819 13.043 1.00 0.00 C ATOM 829 CG PHE A 54 22.801 -2.222 11.700 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.572 -3.397 11.589 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.574 -1.436 10.555 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.123 -3.777 10.354 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.121 -1.820 9.318 1.00 0.00 C ATOM 834 CZ PHE A 54 23.901 -2.984 9.215 1.00 0.00 C ATOM 0 H PHE A 54 21.073 -1.498 15.217 1.00 0.00 H new ATOM 0 HA PHE A 54 20.115 -2.029 12.647 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.130 -0.733 13.076 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.913 -2.108 13.830 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.741 -4.011 12.462 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.979 -0.537 10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.716 -4.677 10.280 1.00 0.00 H new ATOM 0 HE2 PHE A 54 22.940 -1.216 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.328 -3.268 8.265 1.00 0.00 H new ATOM 844 N ASP A 55 21.334 -4.706 14.172 1.00 0.00 N ATOM 845 CA ASP A 55 21.353 -6.169 14.111 1.00 0.00 C ATOM 846 C ASP A 55 19.923 -6.745 13.986 1.00 0.00 C ATOM 847 O ASP A 55 19.692 -7.654 13.182 1.00 0.00 O ATOM 848 CB ASP A 55 22.121 -6.729 15.316 1.00 0.00 C ATOM 849 CG ASP A 55 23.626 -6.445 15.263 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.188 -6.068 16.319 1.00 0.00 O ATOM 851 OD2 ASP A 55 24.230 -6.676 14.188 1.00 0.00 O ATOM 0 H ASP A 55 21.694 -4.321 15.045 1.00 0.00 H new ATOM 0 HA ASP A 55 21.880 -6.485 13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.710 -6.301 16.230 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.964 -7.806 15.369 1.00 0.00 H new ATOM 856 N SER A 56 18.936 -6.181 14.693 1.00 0.00 N ATOM 857 CA SER A 56 17.523 -6.570 14.558 1.00 0.00 C ATOM 858 C SER A 56 16.948 -6.155 13.196 1.00 0.00 C ATOM 859 O SER A 56 16.246 -6.941 12.557 1.00 0.00 O ATOM 860 CB SER A 56 16.694 -5.963 15.688 1.00 0.00 C ATOM 861 OG SER A 56 15.362 -6.449 15.636 1.00 0.00 O ATOM 0 H SER A 56 19.093 -5.440 15.377 1.00 0.00 H new ATOM 0 HA SER A 56 17.473 -7.657 14.623 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.142 -6.211 16.650 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.695 -4.876 15.606 1.00 0.00 H new ATOM 0 HG SER A 56 14.773 -5.844 16.133 1.00 0.00 H new ATOM 867 N LEU A 57 17.290 -4.960 12.690 1.00 0.00 N ATOM 868 CA LEU A 57 16.896 -4.487 11.353 1.00 0.00 C ATOM 869 C LEU A 57 17.445 -5.416 10.248 1.00 0.00 C ATOM 870 O LEU A 57 16.774 -5.640 9.239 1.00 0.00 O ATOM 871 CB LEU A 57 17.399 -3.045 11.149 1.00 0.00 C ATOM 872 CG LEU A 57 16.667 -1.968 11.974 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.473 -0.671 11.936 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.269 -1.699 11.424 1.00 0.00 C ATOM 0 H LEU A 57 17.856 -4.285 13.205 1.00 0.00 H new ATOM 0 HA LEU A 57 15.808 -4.502 11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.460 -3.010 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.309 -2.793 10.092 1.00 0.00 H new ATOM 0 HG LEU A 57 16.571 -2.331 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.959 0.094 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.463 -0.845 12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.573 -0.335 10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.781 -0.935 12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.344 -1.353 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.682 -2.617 11.457 1.00 0.00 H new ATOM 886 N LYS A 58 18.630 -6.008 10.468 1.00 0.00 N ATOM 887 CA LYS A 58 19.278 -7.007 9.596 1.00 0.00 C ATOM 888 C LYS A 58 18.666 -8.419 9.758 1.00 0.00 C ATOM 889 O LYS A 58 18.985 -9.327 8.991 1.00 0.00 O ATOM 890 CB LYS A 58 20.795 -6.989 9.892 1.00 0.00 C ATOM 891 CG LYS A 58 21.707 -7.572 8.796 1.00 0.00 C ATOM 892 CD LYS A 58 21.630 -6.873 7.427 1.00 0.00 C ATOM 893 CE LYS A 58 21.887 -5.363 7.517 1.00 0.00 C ATOM 894 NZ LYS A 58 21.930 -4.746 6.174 1.00 0.00 N ATOM 0 H LYS A 58 19.189 -5.796 11.294 1.00 0.00 H new ATOM 0 HA LYS A 58 19.105 -6.744 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.096 -5.958 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.971 -7.542 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.738 -7.532 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.457 -8.624 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.360 -7.322 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.646 -7.044 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.103 -4.893 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.830 -5.182 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.105 -3.725 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.694 -5.179 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.021 -4.899 5.692 1.00 0.00 H new ATOM 908 N GLY A 59 17.764 -8.598 10.729 1.00 0.00 N ATOM 909 CA GLY A 59 17.017 -9.826 11.026 1.00 0.00 C ATOM 910 C GLY A 59 17.655 -10.806 12.014 1.00 0.00 C ATOM 911 O GLY A 59 17.146 -11.922 12.155 1.00 0.00 O ATOM 0 H GLY A 59 17.521 -7.842 11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.039 -9.542 11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.846 -10.354 10.088 1.00 0.00 H new ATOM 915 N ARG A 60 18.726 -10.417 12.719 1.00 0.00 N ATOM 916 CA ARG A 60 19.388 -11.247 13.739 1.00 0.00 C ATOM 917 C ARG A 60 20.159 -10.388 14.746 1.00 0.00 C ATOM 918 O ARG A 60 21.319 -10.048 14.513 1.00 0.00 O ATOM 919 CB ARG A 60 20.301 -12.299 13.072 1.00 0.00 C ATOM 920 CG ARG A 60 20.913 -13.292 14.080 1.00 0.00 C ATOM 921 CD ARG A 60 19.897 -14.181 14.814 1.00 0.00 C ATOM 922 NE ARG A 60 19.089 -14.992 13.884 1.00 0.00 N ATOM 923 CZ ARG A 60 18.131 -15.841 14.219 1.00 0.00 C ATOM 924 NH1 ARG A 60 17.478 -16.493 13.296 1.00 0.00 N ATOM 925 NH2 ARG A 60 17.795 -16.071 15.462 1.00 0.00 N ATOM 0 H ARG A 60 19.164 -9.504 12.596 1.00 0.00 H new ATOM 0 HA ARG A 60 18.617 -11.777 14.298 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.726 -12.852 12.329 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.104 -11.790 12.539 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.620 -13.933 13.553 1.00 0.00 H new ATOM 0 HG3 ARG A 60 21.483 -12.730 14.820 1.00 0.00 H new ATOM 0 HD2 ARG A 60 20.425 -14.840 15.503 1.00 0.00 H new ATOM 0 HD3 ARG A 60 19.237 -13.555 15.415 1.00 0.00 H new ATOM 0 HE ARG A 60 19.287 -14.889 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.705 -16.349 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.740 -17.147 13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 60 18.278 -15.587 16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 60 17.050 -16.734 15.674 1.00 0.00 H new ATOM 939 N CYS A 61 19.502 -10.060 15.860 1.00 0.00 N ATOM 940 CA CYS A 61 20.082 -9.309 16.985 1.00 0.00 C ATOM 941 C CYS A 61 21.351 -10.029 17.518 1.00 0.00 C ATOM 942 O CYS A 61 21.371 -11.265 17.600 1.00 0.00 O ATOM 943 CB CYS A 61 19.003 -9.124 18.068 1.00 0.00 C ATOM 944 SG CYS A 61 19.500 -7.871 19.302 1.00 0.00 S ATOM 0 H CYS A 61 18.526 -10.314 16.013 1.00 0.00 H new ATOM 0 HA CYS A 61 20.404 -8.320 16.658 1.00 0.00 H new ATOM 0 HB2 CYS A 61 18.065 -8.824 17.601 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.820 -10.076 18.567 1.00 0.00 H new ATOM 0 HG CYS A 61 19.554 -6.702 18.736 1.00 0.00 H new ATOM 949 N SER A 62 22.407 -9.275 17.862 1.00 0.00 N ATOM 950 CA SER A 62 23.718 -9.825 18.283 1.00 0.00 C ATOM 951 C SER A 62 24.381 -9.139 19.494 1.00 0.00 C ATOM 952 O SER A 62 25.592 -9.288 19.694 1.00 0.00 O ATOM 953 CB SER A 62 24.695 -9.806 17.089 1.00 0.00 C ATOM 954 OG SER A 62 24.231 -10.606 16.012 1.00 0.00 O ATOM 0 H SER A 62 22.381 -8.255 17.858 1.00 0.00 H new ATOM 0 HA SER A 62 23.499 -10.839 18.616 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.830 -8.780 16.747 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.672 -10.165 17.413 1.00 0.00 H new ATOM 0 HG SER A 62 23.349 -10.289 15.725 1.00 0.00 H new ATOM 1013 N CYS A 66 21.150 -5.765 24.887 1.00 0.00 N ATOM 1014 CA CYS A 66 20.620 -4.846 23.882 1.00 0.00 C ATOM 1015 C CYS A 66 19.768 -3.739 24.545 1.00 0.00 C ATOM 1016 O CYS A 66 19.018 -3.990 25.499 1.00 0.00 O ATOM 1017 CB CYS A 66 19.846 -5.712 22.873 1.00 0.00 C ATOM 1018 SG CYS A 66 19.351 -4.776 21.394 1.00 0.00 S ATOM 0 HA CYS A 66 21.407 -4.304 23.358 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.465 -6.558 22.574 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.958 -6.121 23.355 1.00 0.00 H new ATOM 0 HG CYS A 66 18.353 -5.375 20.815 1.00 0.00 H new ATOM 1023 N LYS A 67 19.940 -2.497 24.067 1.00 0.00 N ATOM 1024 CA LYS A 67 19.326 -1.268 24.611 1.00 0.00 C ATOM 1025 C LYS A 67 18.708 -0.317 23.571 1.00 0.00 C ATOM 1026 O LYS A 67 18.496 0.865 23.853 1.00 0.00 O ATOM 1027 CB LYS A 67 20.338 -0.594 25.559 1.00 0.00 C ATOM 1028 CG LYS A 67 21.733 -0.257 24.996 1.00 0.00 C ATOM 1029 CD LYS A 67 21.760 0.610 23.726 1.00 0.00 C ATOM 1030 CE LYS A 67 23.168 1.149 23.451 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.574 2.120 24.488 1.00 0.00 N ATOM 0 H LYS A 67 20.534 -2.310 23.259 1.00 0.00 H new ATOM 0 HA LYS A 67 18.442 -1.563 25.177 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.891 0.331 25.924 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.473 -1.245 26.423 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.302 0.255 25.773 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.252 -1.192 24.784 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.421 0.021 22.874 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.065 1.442 23.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.879 0.323 23.423 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.194 1.626 22.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.324 2.735 24.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.755 2.700 24.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.929 1.609 25.322 1.00 0.00 H new ATOM 1045 N TYR A 68 18.414 -0.824 22.376 1.00 0.00 N ATOM 1046 CA TYR A 68 17.820 -0.099 21.244 1.00 0.00 C ATOM 1047 C TYR A 68 16.418 -0.653 20.894 1.00 0.00 C ATOM 1048 O TYR A 68 16.005 -1.694 21.413 1.00 0.00 O ATOM 1049 CB TYR A 68 18.792 -0.179 20.049 1.00 0.00 C ATOM 1050 CG TYR A 68 20.079 0.636 20.150 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.023 1.999 20.509 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.321 0.062 19.793 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.189 2.788 20.498 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.492 0.849 19.787 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.418 2.221 20.110 1.00 0.00 C ATOM 1056 OH TYR A 68 23.523 3.008 20.022 1.00 0.00 O ATOM 0 H TYR A 68 18.591 -1.804 22.155 1.00 0.00 H new ATOM 0 HA TYR A 68 17.671 0.947 21.511 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.063 -1.224 19.902 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.257 0.141 19.155 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.079 2.440 20.794 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.373 -0.983 19.524 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.141 3.827 20.787 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.443 0.403 19.536 1.00 0.00 H new ATOM 0 HH TYR A 68 24.290 2.465 19.743 1.00 0.00 H new ATOM 1066 N LEU A 69 15.662 0.029 20.020 1.00 0.00 N ATOM 1067 CA LEU A 69 14.296 -0.372 19.653 1.00 0.00 C ATOM 1068 C LEU A 69 14.287 -1.423 18.527 1.00 0.00 C ATOM 1069 O LEU A 69 14.980 -1.285 17.520 1.00 0.00 O ATOM 1070 CB LEU A 69 13.552 0.896 19.172 1.00 0.00 C ATOM 1071 CG LEU A 69 12.182 0.683 18.495 1.00 0.00 C ATOM 1072 CD1 LEU A 69 11.123 0.174 19.473 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.694 2.002 17.902 1.00 0.00 C ATOM 0 H LEU A 69 15.981 0.875 19.548 1.00 0.00 H new ATOM 0 HA LEU A 69 13.812 -0.821 20.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.409 1.552 20.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.199 1.424 18.472 1.00 0.00 H new ATOM 0 HG LEU A 69 12.322 -0.070 17.719 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.177 0.040 18.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.443 -0.780 19.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.992 0.898 20.277 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.726 1.850 17.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.595 2.743 18.695 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.412 2.356 17.163 1.00 0.00 H new ATOM 1085 N HIS A 70 13.460 -2.460 18.694 1.00 0.00 N ATOM 1086 CA HIS A 70 13.212 -3.497 17.686 1.00 0.00 C ATOM 1087 C HIS A 70 11.857 -3.173 17.010 1.00 0.00 C ATOM 1088 O HIS A 70 10.809 -3.381 17.632 1.00 0.00 O ATOM 1089 CB HIS A 70 13.161 -4.877 18.369 1.00 0.00 C ATOM 1090 CG HIS A 70 14.489 -5.456 18.802 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.730 -6.787 19.063 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.691 -4.805 18.930 1.00 0.00 C ATOM 1093 CE1 HIS A 70 16.043 -6.937 19.315 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.673 -5.754 19.242 1.00 0.00 N ATOM 0 H HIS A 70 12.932 -2.605 19.554 1.00 0.00 H new ATOM 0 HA HIS A 70 14.007 -3.519 16.940 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.518 -4.802 19.246 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.687 -5.581 17.685 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.032 -7.531 19.065 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.852 -3.744 18.811 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.523 -7.877 19.544 1.00 0.00 H new ATOM 1102 N PRO A 71 11.835 -2.647 15.769 1.00 0.00 N ATOM 1103 CA PRO A 71 10.594 -2.248 15.103 1.00 0.00 C ATOM 1104 C PRO A 71 9.830 -3.404 14.424 1.00 0.00 C ATOM 1105 O PRO A 71 10.446 -4.378 13.975 1.00 0.00 O ATOM 1106 CB PRO A 71 11.036 -1.228 14.056 1.00 0.00 C ATOM 1107 CG PRO A 71 12.435 -1.692 13.661 1.00 0.00 C ATOM 1108 CD PRO A 71 12.989 -2.303 14.946 1.00 0.00 C ATOM 0 HA PRO A 71 9.890 -1.860 15.839 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.362 -1.217 13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.050 -0.217 14.464 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.401 -2.422 12.852 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.050 -0.861 13.315 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.588 -3.187 14.729 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.638 -1.597 15.463 1.00 0.00 H new ATOM 1116 N PRO A 72 8.494 -3.286 14.285 1.00 0.00 N ATOM 1117 CA PRO A 72 7.656 -4.252 13.569 1.00 0.00 C ATOM 1118 C PRO A 72 7.847 -4.096 12.045 1.00 0.00 C ATOM 1119 O PRO A 72 8.308 -3.040 11.602 1.00 0.00 O ATOM 1120 CB PRO A 72 6.223 -3.914 13.994 1.00 0.00 C ATOM 1121 CG PRO A 72 6.280 -2.403 14.200 1.00 0.00 C ATOM 1122 CD PRO A 72 7.678 -2.180 14.768 1.00 0.00 C ATOM 0 HA PRO A 72 7.909 -5.286 13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.498 -4.191 13.229 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.938 -4.436 14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.135 -1.863 13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.507 -2.061 14.888 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.084 -1.224 14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.657 -2.159 15.858 1.00 0.00 H new ATOM 1130 N PRO A 73 7.489 -5.097 11.215 1.00 0.00 N ATOM 1131 CA PRO A 73 7.666 -5.062 9.757 1.00 0.00 C ATOM 1132 C PRO A 73 7.272 -3.757 9.043 1.00 0.00 C ATOM 1133 O PRO A 73 8.022 -3.284 8.187 1.00 0.00 O ATOM 1134 CB PRO A 73 6.886 -6.267 9.223 1.00 0.00 C ATOM 1135 CG PRO A 73 6.972 -7.267 10.374 1.00 0.00 C ATOM 1136 CD PRO A 73 6.924 -6.379 11.616 1.00 0.00 C ATOM 0 HA PRO A 73 8.733 -5.107 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.853 -6.008 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.330 -6.663 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.144 -7.975 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.892 -7.850 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.900 -6.260 11.971 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.496 -6.819 12.433 1.00 0.00 H new ATOM 1144 N HIS A 74 6.135 -3.137 9.391 1.00 0.00 N ATOM 1145 CA HIS A 74 5.700 -1.879 8.756 1.00 0.00 C ATOM 1146 C HIS A 74 6.645 -0.699 9.043 1.00 0.00 C ATOM 1147 O HIS A 74 7.005 0.044 8.130 1.00 0.00 O ATOM 1148 CB HIS A 74 4.235 -1.563 9.126 1.00 0.00 C ATOM 1149 CG HIS A 74 4.018 -1.054 10.533 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.675 -1.810 11.641 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.084 0.255 10.927 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.535 -0.972 12.687 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.797 0.281 12.277 1.00 0.00 N ATOM 0 H HIS A 74 5.498 -3.484 10.108 1.00 0.00 H new ATOM 0 HA HIS A 74 5.750 -2.028 7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.853 -0.820 8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.640 -2.466 8.988 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.316 1.104 10.302 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.258 -1.260 13.690 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.786 1.114 12.866 1.00 0.00 H new ATOM 1162 N LEU A 75 7.090 -0.546 10.295 1.00 0.00 N ATOM 1163 CA LEU A 75 8.012 0.521 10.705 1.00 0.00 C ATOM 1164 C LEU A 75 9.454 0.205 10.262 1.00 0.00 C ATOM 1165 O LEU A 75 10.199 1.103 9.875 1.00 0.00 O ATOM 1166 CB LEU A 75 7.869 0.748 12.224 1.00 0.00 C ATOM 1167 CG LEU A 75 8.072 2.203 12.676 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.978 3.148 12.172 1.00 0.00 C ATOM 1169 CD2 LEU A 75 8.051 2.266 14.205 1.00 0.00 C ATOM 0 H LEU A 75 6.818 -1.164 11.059 1.00 0.00 H new ATOM 0 HA LEU A 75 7.756 1.456 10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.877 0.420 12.535 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.591 0.116 12.742 1.00 0.00 H new ATOM 0 HG LEU A 75 9.027 2.523 12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.179 4.159 12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.964 3.141 11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.010 2.818 12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.195 3.297 14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.091 1.901 14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.852 1.645 14.606 1.00 0.00 H new ATOM 1181 N LYS A 76 9.820 -1.084 10.224 1.00 0.00 N ATOM 1182 CA LYS A 76 11.099 -1.590 9.695 1.00 0.00 C ATOM 1183 C LYS A 76 11.227 -1.263 8.201 1.00 0.00 C ATOM 1184 O LYS A 76 12.302 -0.880 7.742 1.00 0.00 O ATOM 1185 CB LYS A 76 11.178 -3.100 9.983 1.00 0.00 C ATOM 1186 CG LYS A 76 12.500 -3.739 9.528 1.00 0.00 C ATOM 1187 CD LYS A 76 12.689 -5.174 10.049 1.00 0.00 C ATOM 1188 CE LYS A 76 12.808 -5.235 11.579 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.183 -6.588 12.040 1.00 0.00 N ATOM 0 H LYS A 76 9.216 -1.829 10.571 1.00 0.00 H new ATOM 0 HA LYS A 76 11.941 -1.102 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.052 -3.266 11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.349 -3.602 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.536 -3.747 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.331 -3.122 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.846 -5.787 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.585 -5.604 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.554 -4.515 11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.859 -4.946 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.687 -6.802 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.916 -7.287 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.210 -6.629 12.198 1.00 0.00 H new ATOM 1203 N THR A 77 10.122 -1.339 7.454 1.00 0.00 N ATOM 1204 CA THR A 77 10.077 -0.948 6.034 1.00 0.00 C ATOM 1205 C THR A 77 10.336 0.559 5.882 1.00 0.00 C ATOM 1206 O THR A 77 11.132 0.970 5.038 1.00 0.00 O ATOM 1207 CB THR A 77 8.748 -1.337 5.367 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.540 -2.732 5.461 1.00 0.00 O ATOM 1209 CG2 THR A 77 8.757 -0.999 3.876 1.00 0.00 C ATOM 0 H THR A 77 9.228 -1.674 7.814 1.00 0.00 H new ATOM 0 HA THR A 77 10.867 -1.497 5.522 1.00 0.00 H new ATOM 0 HB THR A 77 7.964 -0.781 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.357 -2.973 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.804 -1.286 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.910 0.072 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.564 -1.542 3.385 1.00 0.00 H new ATOM 1217 N GLN A 78 9.732 1.402 6.732 1.00 0.00 N ATOM 1218 CA GLN A 78 10.002 2.846 6.717 1.00 0.00 C ATOM 1219 C GLN A 78 11.483 3.130 7.038 1.00 0.00 C ATOM 1220 O GLN A 78 12.080 4.035 6.447 1.00 0.00 O ATOM 1221 CB GLN A 78 9.042 3.572 7.679 1.00 0.00 C ATOM 1222 CG GLN A 78 9.232 5.099 7.737 1.00 0.00 C ATOM 1223 CD GLN A 78 9.022 5.794 6.390 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.931 6.224 6.042 1.00 0.00 O ATOM 1225 NE2 GLN A 78 10.051 5.926 5.579 1.00 0.00 N ATOM 0 H GLN A 78 9.055 1.109 7.437 1.00 0.00 H new ATOM 0 HA GLN A 78 9.819 3.235 5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 78 8.016 3.357 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.174 3.164 8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.535 5.516 8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.237 5.318 8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.967 5.572 5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.932 6.382 4.674 1.00 0.00 H new ATOM 1234 N LEU A 79 12.088 2.340 7.934 1.00 0.00 N ATOM 1235 CA LEU A 79 13.503 2.453 8.284 1.00 0.00 C ATOM 1236 C LEU A 79 14.400 2.112 7.084 1.00 0.00 C ATOM 1237 O LEU A 79 15.264 2.914 6.742 1.00 0.00 O ATOM 1238 CB LEU A 79 13.805 1.572 9.515 1.00 0.00 C ATOM 1239 CG LEU A 79 15.072 1.926 10.319 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.387 1.669 9.585 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.062 3.376 10.786 1.00 0.00 C ATOM 0 H LEU A 79 11.602 1.599 8.439 1.00 0.00 H new ATOM 0 HA LEU A 79 13.727 3.486 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.949 1.621 10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.890 0.538 9.182 1.00 0.00 H new ATOM 0 HG LEU A 79 15.032 1.247 11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.223 1.947 10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.461 0.612 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.417 2.265 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.972 3.583 11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.012 4.037 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.195 3.547 11.424 1.00 0.00 H new ATOM 1253 N GLU A 80 14.195 0.978 6.397 1.00 0.00 N ATOM 1254 CA GLU A 80 15.027 0.641 5.225 1.00 0.00 C ATOM 1255 C GLU A 80 14.861 1.648 4.070 1.00 0.00 C ATOM 1256 O GLU A 80 15.824 1.912 3.347 1.00 0.00 O ATOM 1257 CB GLU A 80 14.861 -0.823 4.785 1.00 0.00 C ATOM 1258 CG GLU A 80 13.531 -1.143 4.105 1.00 0.00 C ATOM 1259 CD GLU A 80 13.440 -2.626 3.728 1.00 0.00 C ATOM 1260 OE1 GLU A 80 12.761 -3.379 4.465 1.00 0.00 O ATOM 1261 OE2 GLU A 80 14.049 -3.009 2.700 1.00 0.00 O ATOM 0 H GLU A 80 13.477 0.290 6.624 1.00 0.00 H new ATOM 0 HA GLU A 80 16.064 0.735 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.672 -1.076 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.969 -1.465 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.708 -0.884 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.421 -0.531 3.210 1.00 0.00 H new ATOM 1268 N ILE A 81 13.683 2.274 3.925 1.00 0.00 N ATOM 1269 CA ILE A 81 13.463 3.358 2.948 1.00 0.00 C ATOM 1270 C ILE A 81 14.349 4.566 3.312 1.00 0.00 C ATOM 1271 O ILE A 81 15.023 5.124 2.441 1.00 0.00 O ATOM 1272 CB ILE A 81 11.958 3.716 2.864 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.203 2.571 2.151 1.00 0.00 C ATOM 1274 CG2 ILE A 81 11.717 5.047 2.125 1.00 0.00 C ATOM 1275 CD1 ILE A 81 9.675 2.648 2.280 1.00 0.00 C ATOM 0 H ILE A 81 12.857 2.046 4.478 1.00 0.00 H new ATOM 0 HA ILE A 81 13.755 3.027 1.951 1.00 0.00 H new ATOM 0 HB ILE A 81 11.584 3.840 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.468 2.579 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.543 1.618 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.648 5.256 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.228 5.853 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.105 4.974 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.223 1.809 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.396 2.607 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.320 3.583 1.847 1.00 0.00 H new ATOM 1287 N ASN A 82 14.418 4.939 4.599 1.00 0.00 N ATOM 1288 CA ASN A 82 15.310 6.006 5.073 1.00 0.00 C ATOM 1289 C ASN A 82 16.786 5.601 4.888 1.00 0.00 C ATOM 1290 O ASN A 82 17.613 6.433 4.514 1.00 0.00 O ATOM 1291 CB ASN A 82 15.013 6.330 6.553 1.00 0.00 C ATOM 1292 CG ASN A 82 15.451 7.728 6.981 1.00 0.00 C ATOM 1293 OD1 ASN A 82 14.728 8.435 7.666 1.00 0.00 O ATOM 1294 ND2 ASN A 82 16.616 8.198 6.591 1.00 0.00 N ATOM 0 H ASN A 82 13.859 4.511 5.337 1.00 0.00 H new ATOM 0 HA ASN A 82 15.128 6.902 4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.942 6.226 6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.513 5.595 7.183 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.903 9.139 6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.233 7.622 6.019 1.00 0.00 H new ATOM 1301 N GLY A 83 17.116 4.330 5.142 1.00 0.00 N ATOM 1302 CA GLY A 83 18.456 3.769 4.990 1.00 0.00 C ATOM 1303 C GLY A 83 18.955 3.884 3.555 1.00 0.00 C ATOM 1304 O GLY A 83 20.034 4.435 3.338 1.00 0.00 O ATOM 0 H GLY A 83 16.434 3.645 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.145 4.286 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.448 2.721 5.290 1.00 0.00 H new