USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.805 K(o=1.7,f=-0.49) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.901 K(o=1.7,f=-0.45) USER MOD Set 2.1: A 97 GLN : amide:sc= 0.721 K(o=1.4,f=0.42) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.648 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 157:sc= 1.91 (180deg=0.653) USER MOD Set 3.2: A 71 GLN : amide:sc= 1.01 K(o=2.9,f=-5.9!) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0553 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 2.4 (180deg=2.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -42:sc= 0.0572 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 177:sc= 1.19 USER MOD Single : A 51 SER OG : rot 30:sc= 0.0633 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 2.07 (180deg=1.76) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -108:sc= 1.08 (180deg=-0.0147) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.466 K(o=0.47,f=-0.17) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.934 USER MOD Single : A 89 SER OG : rot -1:sc= 0.081 USER MOD Single : A 91 TYR OH : rot -31:sc= 0.0155 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -78:sc= 1.17 USER MOD Single : A 126 HIS : +bothHN:sc= 0.569 K(o=0.57,f=-6!) USER MOD Single : A 128 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.417 8.589 14.828 1.00 0.00 N ATOM 172 CA GLU A 8 -5.643 7.428 13.967 1.00 0.00 C ATOM 173 C GLU A 8 -5.607 6.152 14.824 1.00 0.00 C ATOM 174 O GLU A 8 -4.681 5.921 15.604 1.00 0.00 O ATOM 175 CB GLU A 8 -4.612 7.370 12.824 1.00 0.00 C ATOM 176 CG GLU A 8 -3.147 7.310 13.285 1.00 0.00 C ATOM 177 CD GLU A 8 -2.204 7.697 12.144 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.603 8.798 12.175 1.00 0.00 O ATOM 179 OE2 GLU A 8 -2.032 6.881 11.211 1.00 0.00 O ATOM 0 HA GLU A 8 -6.624 7.514 13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.821 6.495 12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.744 8.246 12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.999 7.983 14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.911 6.304 13.633 1.00 0.00 H new ATOM 186 N SER A 9 -6.642 5.330 14.692 1.00 0.00 N ATOM 187 CA SER A 9 -6.799 4.052 15.394 1.00 0.00 C ATOM 188 C SER A 9 -6.211 2.902 14.574 1.00 0.00 C ATOM 189 O SER A 9 -6.513 2.782 13.391 1.00 0.00 O ATOM 190 CB SER A 9 -8.280 3.798 15.683 1.00 0.00 C ATOM 191 OG SER A 9 -8.763 4.729 16.640 1.00 0.00 O ATOM 0 H SER A 9 -7.425 5.538 14.072 1.00 0.00 H new ATOM 0 HA SER A 9 -6.255 4.105 16.337 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.857 3.881 14.762 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.416 2.782 16.053 1.00 0.00 H new ATOM 0 HG SER A 9 -9.712 4.556 16.814 1.00 0.00 H new ATOM 197 N VAL A 10 -5.370 2.044 15.154 1.00 0.00 N ATOM 198 CA VAL A 10 -4.708 0.953 14.405 1.00 0.00 C ATOM 199 C VAL A 10 -5.725 -0.110 13.954 1.00 0.00 C ATOM 200 O VAL A 10 -6.599 -0.512 14.725 1.00 0.00 O ATOM 201 CB VAL A 10 -3.561 0.321 15.212 1.00 0.00 C ATOM 202 CG1 VAL A 10 -2.802 -0.750 14.414 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.528 1.363 15.666 1.00 0.00 C ATOM 0 H VAL A 10 -5.125 2.077 16.144 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.268 1.395 13.511 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.047 -0.132 16.076 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.003 -1.164 15.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.490 -1.546 14.128 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.374 -0.301 13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.738 0.869 16.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.097 1.853 14.793 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.015 2.107 16.296 1.00 0.00 H new ATOM 213 N LEU A 11 -5.589 -0.576 12.708 1.00 0.00 N ATOM 214 CA LEU A 11 -6.425 -1.609 12.079 1.00 0.00 C ATOM 215 C LEU A 11 -5.647 -2.895 11.773 1.00 0.00 C ATOM 216 O LEU A 11 -6.157 -3.990 12.020 1.00 0.00 O ATOM 217 CB LEU A 11 -7.022 -1.082 10.761 1.00 0.00 C ATOM 218 CG LEU A 11 -7.997 0.103 10.854 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.570 0.337 9.453 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.144 -0.159 11.832 1.00 0.00 C ATOM 0 H LEU A 11 -4.862 -0.230 12.082 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.211 -1.845 12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.198 -0.791 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.539 -1.907 10.271 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.457 0.974 11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.268 1.173 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.759 0.564 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.091 -0.560 9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.803 0.708 11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.708 -1.033 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.739 -0.339 12.828 1.00 0.00 H new ATOM 232 N CYS A 12 -4.434 -2.776 11.220 1.00 0.00 N ATOM 233 CA CYS A 12 -3.619 -3.918 10.802 1.00 0.00 C ATOM 234 C CYS A 12 -2.120 -3.691 11.028 1.00 0.00 C ATOM 235 O CYS A 12 -1.618 -2.566 10.995 1.00 0.00 O ATOM 236 CB CYS A 12 -3.937 -4.278 9.339 1.00 0.00 C ATOM 237 SG CYS A 12 -3.471 -5.998 8.977 1.00 0.00 S ATOM 0 H CYS A 12 -3.988 -1.875 11.049 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.881 -4.767 11.434 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.001 -4.138 9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.402 -3.604 8.670 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.753 -6.272 7.738 1.00 0.00 H new ATOM 243 N VAL A 13 -1.402 -4.794 11.219 1.00 0.00 N ATOM 244 CA VAL A 13 0.058 -4.878 11.272 1.00 0.00 C ATOM 245 C VAL A 13 0.484 -6.174 10.579 1.00 0.00 C ATOM 246 O VAL A 13 -0.063 -7.240 10.875 1.00 0.00 O ATOM 247 CB VAL A 13 0.562 -4.761 12.729 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.026 -5.833 13.688 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.093 -4.764 12.814 1.00 0.00 C ATOM 0 H VAL A 13 -1.845 -5.704 11.348 1.00 0.00 H new ATOM 0 HA VAL A 13 0.518 -4.044 10.742 1.00 0.00 H new ATOM 0 HB VAL A 13 0.162 -3.800 13.053 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.435 -5.667 14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.062 -5.774 13.728 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.323 -6.820 13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.400 -4.680 13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.479 -5.694 12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.490 -3.920 12.250 1.00 0.00 H new ATOM 259 N LYS A 14 1.433 -6.090 9.639 1.00 0.00 N ATOM 260 CA LYS A 14 2.010 -7.275 8.962 1.00 0.00 C ATOM 261 C LYS A 14 3.535 -7.386 9.123 1.00 0.00 C ATOM 262 O LYS A 14 4.222 -6.363 9.060 1.00 0.00 O ATOM 263 CB LYS A 14 1.575 -7.385 7.483 1.00 0.00 C ATOM 264 CG LYS A 14 0.113 -7.816 7.288 1.00 0.00 C ATOM 265 CD LYS A 14 -0.123 -9.262 7.750 1.00 0.00 C ATOM 266 CE LYS A 14 -1.488 -9.756 7.278 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.700 -11.184 7.619 1.00 0.00 N ATOM 0 H LYS A 14 1.827 -5.204 9.321 1.00 0.00 H new ATOM 0 HA LYS A 14 1.589 -8.136 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.725 -6.420 6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.224 -8.100 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.541 -7.145 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.156 -7.722 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.661 -9.909 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.065 -9.317 8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.272 -9.152 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.571 -9.623 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.599 -11.509 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.919 -11.753 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.730 -11.293 8.653 1.00 0.00 H new ATOM 281 N PRO A 15 4.062 -8.617 9.310 1.00 0.00 N ATOM 282 CA PRO A 15 5.463 -8.889 9.660 1.00 0.00 C ATOM 283 C PRO A 15 6.453 -8.701 8.501 1.00 0.00 C ATOM 284 O PRO A 15 7.663 -8.678 8.728 1.00 0.00 O ATOM 285 CB PRO A 15 5.468 -10.345 10.150 1.00 0.00 C ATOM 286 CG PRO A 15 4.345 -10.989 9.337 1.00 0.00 C ATOM 287 CD PRO A 15 3.314 -9.873 9.288 1.00 0.00 C ATOM 0 HA PRO A 15 5.803 -8.176 10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.427 -10.829 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.278 -10.410 11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.678 -11.282 8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.954 -11.885 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.705 -9.946 8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.634 -9.935 10.138 1.00 0.00 H new ATOM 295 N ASP A 16 5.965 -8.570 7.269 1.00 0.00 N ATOM 296 CA ASP A 16 6.748 -8.268 6.070 1.00 0.00 C ATOM 297 C ASP A 16 5.988 -7.308 5.147 1.00 0.00 C ATOM 298 O ASP A 16 4.755 -7.319 5.106 1.00 0.00 O ATOM 299 CB ASP A 16 7.102 -9.557 5.311 1.00 0.00 C ATOM 300 CG ASP A 16 5.911 -10.122 4.514 1.00 0.00 C ATOM 301 OD1 ASP A 16 5.872 -9.923 3.276 1.00 0.00 O ATOM 302 OD2 ASP A 16 5.037 -10.781 5.124 1.00 0.00 O ATOM 0 H ASP A 16 4.970 -8.676 7.069 1.00 0.00 H new ATOM 0 HA ASP A 16 7.671 -7.785 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.929 -9.357 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.449 -10.308 6.021 1.00 0.00 H new ATOM 307 N VAL A 17 6.734 -6.504 4.387 1.00 0.00 N ATOM 308 CA VAL A 17 6.254 -5.781 3.204 1.00 0.00 C ATOM 309 C VAL A 17 7.465 -5.329 2.385 1.00 0.00 C ATOM 310 O VAL A 17 8.414 -4.766 2.937 1.00 0.00 O ATOM 311 CB VAL A 17 5.330 -4.598 3.586 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.936 -3.615 4.590 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.850 -3.833 2.355 1.00 0.00 C ATOM 0 H VAL A 17 7.720 -6.332 4.583 1.00 0.00 H new ATOM 0 HA VAL A 17 5.641 -6.446 2.596 1.00 0.00 H new ATOM 0 HB VAL A 17 4.483 -5.072 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.220 -2.820 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.175 -4.140 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.846 -3.183 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.205 -3.011 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.710 -3.435 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.292 -4.506 1.703 1.00 0.00 H new ATOM 323 N SER A 18 7.449 -5.587 1.075 1.00 0.00 N ATOM 324 CA SER A 18 8.516 -5.189 0.144 1.00 0.00 C ATOM 325 C SER A 18 8.009 -4.178 -0.892 1.00 0.00 C ATOM 326 O SER A 18 6.893 -4.294 -1.394 1.00 0.00 O ATOM 327 CB SER A 18 9.128 -6.426 -0.524 1.00 0.00 C ATOM 328 OG SER A 18 9.560 -7.367 0.448 1.00 0.00 O ATOM 0 H SER A 18 6.684 -6.086 0.621 1.00 0.00 H new ATOM 0 HA SER A 18 9.299 -4.690 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.393 -6.889 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.971 -6.128 -1.147 1.00 0.00 H new ATOM 0 HG SER A 18 9.945 -8.148 -0.001 1.00 0.00 H new ATOM 334 N VAL A 19 8.820 -3.168 -1.220 1.00 0.00 N ATOM 335 CA VAL A 19 8.452 -2.029 -2.079 1.00 0.00 C ATOM 336 C VAL A 19 9.385 -1.926 -3.282 1.00 0.00 C ATOM 337 O VAL A 19 10.608 -2.011 -3.154 1.00 0.00 O ATOM 338 CB VAL A 19 8.393 -0.718 -1.279 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.120 0.486 -2.187 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.262 -0.799 -0.246 1.00 0.00 C ATOM 0 H VAL A 19 9.782 -3.115 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 19 7.448 -2.209 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 19 9.360 -0.585 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.085 1.395 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.915 0.571 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.165 0.350 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.220 0.131 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.312 -0.955 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.449 -1.631 0.433 1.00 0.00 H new ATOM 350 N TYR A 20 8.787 -1.734 -4.459 1.00 0.00 N ATOM 351 CA TYR A 20 9.419 -1.962 -5.767 1.00 0.00 C ATOM 352 C TYR A 20 9.600 -0.702 -6.646 1.00 0.00 C ATOM 353 O TYR A 20 10.172 -0.802 -7.730 1.00 0.00 O ATOM 354 CB TYR A 20 8.640 -3.078 -6.484 1.00 0.00 C ATOM 355 CG TYR A 20 8.698 -4.439 -5.797 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.562 -5.438 -6.287 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.894 -4.714 -4.672 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.623 -6.701 -5.664 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.987 -5.961 -4.024 1.00 0.00 C ATOM 360 CZ TYR A 20 8.843 -6.961 -4.520 1.00 0.00 C ATOM 361 OH TYR A 20 8.914 -8.161 -3.883 1.00 0.00 O ATOM 0 H TYR A 20 7.824 -1.407 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 20 10.449 -2.269 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.597 -2.775 -6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.029 -3.181 -7.497 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.183 -5.235 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.205 -3.967 -4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.268 -7.470 -6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.397 -6.151 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 20 8.307 -8.159 -3.114 1.00 0.00 H new ATOM 371 N ARG A 21 9.151 0.471 -6.162 1.00 0.00 N ATOM 372 CA ARG A 21 9.376 1.844 -6.699 1.00 0.00 C ATOM 373 C ARG A 21 9.264 1.970 -8.233 1.00 0.00 C ATOM 374 O ARG A 21 10.235 1.824 -8.977 1.00 0.00 O ATOM 375 CB ARG A 21 10.707 2.397 -6.145 1.00 0.00 C ATOM 376 CG ARG A 21 10.510 3.066 -4.775 1.00 0.00 C ATOM 377 CD ARG A 21 11.852 3.401 -4.118 1.00 0.00 C ATOM 378 NE ARG A 21 11.704 4.390 -3.033 1.00 0.00 N ATOM 379 CZ ARG A 21 12.667 4.819 -2.236 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.442 5.796 -1.405 1.00 0.00 N ATOM 381 NH2 ARG A 21 13.864 4.305 -2.240 1.00 0.00 N ATOM 0 H ARG A 21 8.576 0.495 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 21 8.553 2.464 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.430 1.586 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.123 3.119 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.924 3.977 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.940 2.404 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.298 2.490 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.538 3.789 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 21 10.773 4.778 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.521 6.232 -1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.187 6.125 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.088 3.540 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.577 4.668 -1.607 1.00 0.00 H new ATOM 395 N ILE A 22 8.047 2.259 -8.697 1.00 0.00 N ATOM 396 CA ILE A 22 7.604 2.063 -10.091 1.00 0.00 C ATOM 397 C ILE A 22 7.737 3.325 -10.975 1.00 0.00 C ATOM 398 O ILE A 22 7.514 4.436 -10.484 1.00 0.00 O ATOM 399 CB ILE A 22 6.161 1.508 -10.114 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.124 2.544 -9.619 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.113 0.198 -9.316 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.708 2.000 -9.418 1.00 0.00 C ATOM 0 H ILE A 22 7.316 2.648 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 22 8.281 1.333 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 22 5.881 1.297 -11.146 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.473 2.962 -8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.083 3.365 -10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.098 -0.199 -9.328 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.791 -0.527 -9.766 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.416 0.388 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.056 2.802 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.331 1.610 -10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.727 1.201 -8.677 1.00 0.00 H new ATOM 414 N PRO A 23 8.045 3.181 -12.284 1.00 0.00 N ATOM 415 CA PRO A 23 8.051 4.303 -13.226 1.00 0.00 C ATOM 416 C PRO A 23 6.671 4.866 -13.661 1.00 0.00 C ATOM 417 O PRO A 23 6.549 6.095 -13.702 1.00 0.00 O ATOM 418 CB PRO A 23 8.923 3.869 -14.411 1.00 0.00 C ATOM 419 CG PRO A 23 9.091 2.353 -14.291 1.00 0.00 C ATOM 420 CD PRO A 23 8.671 2.000 -12.865 1.00 0.00 C ATOM 0 HA PRO A 23 8.461 5.170 -12.708 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.452 4.134 -15.358 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.891 4.370 -14.385 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.472 1.832 -15.021 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.123 2.058 -14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.976 1.160 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.536 1.696 -12.275 1.00 0.00 H new ATOM 428 N PRO A 24 5.634 4.065 -14.005 1.00 0.00 N ATOM 429 CA PRO A 24 4.376 4.581 -14.559 1.00 0.00 C ATOM 430 C PRO A 24 3.378 5.076 -13.495 1.00 0.00 C ATOM 431 O PRO A 24 3.452 4.700 -12.322 1.00 0.00 O ATOM 432 CB PRO A 24 3.788 3.416 -15.365 1.00 0.00 C ATOM 433 CG PRO A 24 4.242 2.200 -14.564 1.00 0.00 C ATOM 434 CD PRO A 24 5.638 2.613 -14.105 1.00 0.00 C ATOM 0 HA PRO A 24 4.571 5.465 -15.166 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.702 3.476 -15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.169 3.395 -16.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.580 1.998 -13.722 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.265 1.297 -15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.879 2.160 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.394 2.276 -14.814 1.00 0.00 H new ATOM 525 N GLY A 30 -4.325 -0.527 -15.831 1.00 0.00 N ATOM 526 CA GLY A 30 -3.972 -0.120 -14.470 1.00 0.00 C ATOM 527 C GLY A 30 -2.477 0.163 -14.345 1.00 0.00 C ATOM 528 O GLY A 30 -2.005 1.188 -14.833 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.537 0.771 -14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.256 -0.905 -13.769 1.00 0.00 H new ATOM 532 N TYR A 31 -1.724 -0.745 -13.719 1.00 0.00 N ATOM 533 CA TYR A 31 -0.269 -0.607 -13.534 1.00 0.00 C ATOM 534 C TYR A 31 0.563 -1.787 -14.034 1.00 0.00 C ATOM 535 O TYR A 31 1.700 -1.562 -14.440 1.00 0.00 O ATOM 536 CB TYR A 31 0.037 -0.421 -12.050 1.00 0.00 C ATOM 537 CG TYR A 31 -0.258 0.962 -11.535 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.753 1.937 -11.594 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.503 1.240 -10.945 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.531 3.201 -11.018 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.735 2.513 -10.390 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.716 3.492 -10.412 1.00 0.00 C ATOM 543 OH TYR A 31 -0.931 4.690 -9.801 1.00 0.00 O ATOM 0 H TYR A 31 -2.105 -1.604 -13.322 1.00 0.00 H new ATOM 0 HA TYR A 31 0.013 0.257 -14.137 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.544 -1.143 -11.476 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.089 -0.647 -11.875 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.693 1.717 -12.078 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.274 0.484 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.310 3.949 -11.038 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.693 2.742 -9.947 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.139 4.939 -9.281 1.00 0.00 H new ATOM 553 N ARG A 32 0.010 -3.007 -13.967 1.00 0.00 N ATOM 554 CA ARG A 32 0.625 -4.327 -14.174 1.00 0.00 C ATOM 555 C ARG A 32 2.024 -4.496 -13.551 1.00 0.00 C ATOM 556 O ARG A 32 3.005 -4.002 -14.093 1.00 0.00 O ATOM 557 CB ARG A 32 0.575 -4.778 -15.654 1.00 0.00 C ATOM 558 CG ARG A 32 -0.358 -4.057 -16.651 1.00 0.00 C ATOM 559 CD ARG A 32 0.273 -2.853 -17.373 1.00 0.00 C ATOM 560 NE ARG A 32 1.237 -3.219 -18.431 1.00 0.00 N ATOM 561 CZ ARG A 32 1.009 -3.699 -19.639 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.009 -3.821 -20.456 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.175 -4.049 -20.058 1.00 0.00 N ATOM 0 H ARG A 32 -0.981 -3.103 -13.744 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.006 -5.012 -13.607 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.588 -4.706 -16.049 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.304 -5.834 -15.662 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.692 -4.776 -17.399 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.245 -3.718 -16.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.521 -2.250 -17.813 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.778 -2.226 -16.638 1.00 0.00 H new ATOM 0 HE ARG A 32 2.219 -3.081 -18.194 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.946 -3.548 -20.159 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.858 -4.190 -21.395 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.982 -3.957 -19.441 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.294 -4.415 -21.003 1.00 0.00 H new ATOM 577 N ALA A 33 2.150 -5.281 -12.475 1.00 0.00 N ATOM 578 CA ALA A 33 3.452 -5.581 -11.852 1.00 0.00 C ATOM 579 C ALA A 33 4.487 -6.109 -12.865 1.00 0.00 C ATOM 580 O ALA A 33 5.654 -5.726 -12.830 1.00 0.00 O ATOM 581 CB ALA A 33 3.248 -6.593 -10.721 1.00 0.00 C ATOM 0 H ALA A 33 1.359 -5.726 -12.010 1.00 0.00 H new ATOM 0 HA ALA A 33 3.854 -4.649 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.208 -6.818 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.574 -6.173 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.817 -7.509 -11.126 1.00 0.00 H new ATOM 587 N SER A 34 4.024 -6.919 -13.823 1.00 0.00 N ATOM 588 CA SER A 34 4.779 -7.458 -14.961 1.00 0.00 C ATOM 589 C SER A 34 5.415 -6.396 -15.882 1.00 0.00 C ATOM 590 O SER A 34 6.335 -6.716 -16.636 1.00 0.00 O ATOM 591 CB SER A 34 3.816 -8.314 -15.792 1.00 0.00 C ATOM 592 OG SER A 34 3.229 -9.337 -15.002 1.00 0.00 O ATOM 0 H SER A 34 3.054 -7.235 -13.825 1.00 0.00 H new ATOM 0 HA SER A 34 5.612 -8.025 -14.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.034 -7.682 -16.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.352 -8.760 -16.630 1.00 0.00 H new ATOM 0 HG SER A 34 2.618 -9.867 -15.555 1.00 0.00 H new ATOM 598 N ASP A 35 4.953 -5.141 -15.842 1.00 0.00 N ATOM 599 CA ASP A 35 5.506 -4.013 -16.606 1.00 0.00 C ATOM 600 C ASP A 35 6.759 -3.390 -15.952 1.00 0.00 C ATOM 601 O ASP A 35 7.562 -2.745 -16.631 1.00 0.00 O ATOM 602 CB ASP A 35 4.405 -2.952 -16.758 1.00 0.00 C ATOM 603 CG ASP A 35 4.578 -2.121 -18.034 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.143 -1.004 -17.985 1.00 0.00 O ATOM 605 OD2 ASP A 35 4.084 -2.591 -19.087 1.00 0.00 O ATOM 0 H ASP A 35 4.160 -4.872 -15.260 1.00 0.00 H new ATOM 0 HA ASP A 35 5.830 -4.389 -17.577 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.431 -3.441 -16.773 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.417 -2.291 -15.891 1.00 0.00 H new ATOM 610 N TRP A 36 6.936 -3.598 -14.642 1.00 0.00 N ATOM 611 CA TRP A 36 8.033 -3.079 -13.816 1.00 0.00 C ATOM 612 C TRP A 36 8.693 -4.217 -13.000 1.00 0.00 C ATOM 613 O TRP A 36 8.607 -5.394 -13.365 1.00 0.00 O ATOM 614 CB TRP A 36 7.545 -1.864 -12.996 1.00 0.00 C ATOM 615 CG TRP A 36 6.112 -1.821 -12.565 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.136 -1.201 -13.259 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.473 -2.340 -11.358 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.938 -1.322 -12.595 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.101 -1.946 -11.377 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.917 -3.058 -10.226 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.233 -2.210 -10.309 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.048 -3.345 -9.155 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.711 -2.909 -9.187 1.00 0.00 C ATOM 0 H TRP A 36 6.282 -4.164 -14.100 1.00 0.00 H new ATOM 0 HA TRP A 36 8.839 -2.697 -14.443 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.162 -1.799 -12.100 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.741 -0.967 -13.584 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.275 -0.685 -14.198 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.043 -0.992 -12.957 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.943 -3.394 -10.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.206 -1.879 -10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.410 -3.903 -8.304 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.055 -3.110 -8.353 1.00 0.00 H new ATOM 634 N LYS A 37 9.417 -3.884 -11.925 1.00 0.00 N ATOM 635 CA LYS A 37 10.054 -4.850 -11.019 1.00 0.00 C ATOM 636 C LYS A 37 9.008 -5.564 -10.155 1.00 0.00 C ATOM 637 O LYS A 37 8.530 -4.997 -9.179 1.00 0.00 O ATOM 638 CB LYS A 37 11.103 -4.117 -10.163 1.00 0.00 C ATOM 639 CG LYS A 37 12.363 -3.849 -11.000 1.00 0.00 C ATOM 640 CD LYS A 37 13.429 -3.090 -10.202 1.00 0.00 C ATOM 641 CE LYS A 37 14.819 -3.286 -10.821 1.00 0.00 C ATOM 642 NZ LYS A 37 14.981 -2.550 -12.105 1.00 0.00 N ATOM 0 H LYS A 37 9.581 -2.914 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 37 10.557 -5.623 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.693 -3.176 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.357 -4.717 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.776 -4.796 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.095 -3.274 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.184 -2.028 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.434 -3.440 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.578 -2.950 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.991 -4.349 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.936 -2.715 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.275 -2.888 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.845 -1.532 -11.941 1.00 0.00 H new ATOM 656 N LEU A 38 8.693 -6.820 -10.480 1.00 0.00 N ATOM 657 CA LEU A 38 7.841 -7.698 -9.655 1.00 0.00 C ATOM 658 C LEU A 38 8.628 -8.700 -8.779 1.00 0.00 C ATOM 659 O LEU A 38 8.030 -9.457 -8.014 1.00 0.00 O ATOM 660 CB LEU A 38 6.746 -8.354 -10.521 1.00 0.00 C ATOM 661 CG LEU A 38 7.129 -9.600 -11.341 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.873 -10.155 -12.015 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.166 -9.323 -12.431 1.00 0.00 C ATOM 0 H LEU A 38 9.024 -7.268 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 38 7.342 -7.065 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.919 -8.626 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.370 -7.600 -11.213 1.00 0.00 H new ATOM 0 HG LEU A 38 7.571 -10.308 -10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.133 -11.038 -12.599 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.141 -10.426 -11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.448 -9.397 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.386 -10.246 -12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.772 -8.584 -13.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.080 -8.941 -11.975 1.00 0.00 H new ATOM 675 N ASP A 39 9.963 -8.712 -8.895 1.00 0.00 N ATOM 676 CA ASP A 39 10.870 -9.676 -8.242 1.00 0.00 C ATOM 677 C ASP A 39 12.094 -9.027 -7.548 1.00 0.00 C ATOM 678 O ASP A 39 12.814 -9.696 -6.807 1.00 0.00 O ATOM 679 CB ASP A 39 11.301 -10.693 -9.313 1.00 0.00 C ATOM 680 CG ASP A 39 12.101 -11.879 -8.742 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.276 -12.065 -9.143 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.538 -12.659 -7.935 1.00 0.00 O ATOM 0 H ASP A 39 10.462 -8.029 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 39 10.333 -10.161 -7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.414 -11.073 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.905 -10.185 -10.064 1.00 0.00 H new ATOM 687 N GLN A 40 12.326 -7.721 -7.755 1.00 0.00 N ATOM 688 CA GLN A 40 13.483 -6.970 -7.236 1.00 0.00 C ATOM 689 C GLN A 40 13.035 -5.715 -6.450 1.00 0.00 C ATOM 690 O GLN A 40 12.827 -4.663 -7.061 1.00 0.00 O ATOM 691 CB GLN A 40 14.412 -6.602 -8.410 1.00 0.00 C ATOM 692 CG GLN A 40 15.085 -7.829 -9.046 1.00 0.00 C ATOM 693 CD GLN A 40 16.045 -7.424 -10.163 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.240 -7.245 -9.961 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.568 -7.239 -11.376 1.00 0.00 N ATOM 0 H GLN A 40 11.694 -7.139 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 40 14.031 -7.597 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.837 -6.074 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.180 -5.914 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.628 -8.385 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.322 -8.498 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.575 -7.384 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.191 -6.951 -12.131 1.00 0.00 H new ATOM 704 N PRO A 41 12.856 -5.786 -5.116 1.00 0.00 N ATOM 705 CA PRO A 41 12.480 -4.626 -4.307 1.00 0.00 C ATOM 706 C PRO A 41 13.658 -3.659 -4.091 1.00 0.00 C ATOM 707 O PRO A 41 14.828 -4.047 -4.141 1.00 0.00 O ATOM 708 CB PRO A 41 11.953 -5.202 -2.992 1.00 0.00 C ATOM 709 CG PRO A 41 12.751 -6.495 -2.836 1.00 0.00 C ATOM 710 CD PRO A 41 12.950 -6.975 -4.277 1.00 0.00 C ATOM 0 HA PRO A 41 11.723 -4.022 -4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.121 -4.521 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.881 -5.393 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.704 -6.320 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.210 -7.230 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.919 -7.460 -4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.191 -7.707 -4.552 1.00 0.00 H new ATOM 718 N ASP A 42 13.341 -2.394 -3.809 1.00 0.00 N ATOM 719 CA ASP A 42 14.302 -1.329 -3.479 1.00 0.00 C ATOM 720 C ASP A 42 14.325 -1.000 -1.970 1.00 0.00 C ATOM 721 O ASP A 42 15.335 -0.524 -1.450 1.00 0.00 O ATOM 722 CB ASP A 42 13.968 -0.094 -4.327 1.00 0.00 C ATOM 723 CG ASP A 42 15.046 0.997 -4.208 1.00 0.00 C ATOM 724 OD1 ASP A 42 16.179 0.785 -4.701 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.748 2.080 -3.651 1.00 0.00 O ATOM 0 H ASP A 42 12.375 -2.067 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 42 15.308 -1.675 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.865 -0.389 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.006 0.311 -4.013 1.00 0.00 H new ATOM 730 N TRP A 43 13.235 -1.308 -1.255 1.00 0.00 N ATOM 731 CA TRP A 43 13.112 -1.225 0.205 1.00 0.00 C ATOM 732 C TRP A 43 12.233 -2.367 0.734 1.00 0.00 C ATOM 733 O TRP A 43 11.275 -2.763 0.070 1.00 0.00 O ATOM 734 CB TRP A 43 12.512 0.135 0.596 1.00 0.00 C ATOM 735 CG TRP A 43 12.196 0.306 2.053 1.00 0.00 C ATOM 736 CD1 TRP A 43 13.011 0.856 2.981 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.981 -0.080 2.776 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.389 0.843 4.216 1.00 0.00 N ATOM 739 CE2 TRP A 43 11.136 0.274 4.148 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.766 -0.701 2.414 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.136 0.037 5.103 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.758 -0.951 3.363 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.940 -0.586 4.708 1.00 0.00 C ATOM 0 H TRP A 43 12.377 -1.636 -1.699 1.00 0.00 H new ATOM 0 HA TRP A 43 14.102 -1.320 0.651 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.208 0.919 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.597 0.287 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.999 1.247 2.787 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.806 1.209 5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.607 -0.991 1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.284 0.331 6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.838 -1.427 3.056 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.165 -0.783 5.434 1.00 0.00 H new ATOM 754 N THR A 44 12.514 -2.878 1.934 1.00 0.00 N ATOM 755 CA THR A 44 11.648 -3.815 2.660 1.00 0.00 C ATOM 756 C THR A 44 11.594 -3.493 4.154 1.00 0.00 C ATOM 757 O THR A 44 12.515 -2.894 4.718 1.00 0.00 O ATOM 758 CB THR A 44 12.077 -5.280 2.454 1.00 0.00 C ATOM 759 OG1 THR A 44 13.253 -5.582 3.177 1.00 0.00 O ATOM 760 CG2 THR A 44 12.345 -5.674 1.004 1.00 0.00 C ATOM 0 H THR A 44 13.369 -2.648 2.441 1.00 0.00 H new ATOM 0 HA THR A 44 10.649 -3.692 2.242 1.00 0.00 H new ATOM 0 HB THR A 44 11.217 -5.845 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.498 -6.519 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.641 -6.722 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.440 -5.527 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.146 -5.054 0.601 1.00 0.00 H new ATOM 768 N GLY A 45 10.500 -3.894 4.802 1.00 0.00 N ATOM 769 CA GLY A 45 10.267 -3.623 6.215 1.00 0.00 C ATOM 770 C GLY A 45 8.986 -4.254 6.751 1.00 0.00 C ATOM 771 O GLY A 45 8.730 -5.445 6.554 1.00 0.00 O ATOM 0 H GLY A 45 9.748 -4.419 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.114 -3.993 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.223 -2.545 6.368 1.00 0.00 H new ATOM 775 N ARG A 46 8.208 -3.440 7.464 1.00 0.00 N ATOM 776 CA ARG A 46 7.019 -3.806 8.252 1.00 0.00 C ATOM 777 C ARG A 46 5.837 -2.892 7.906 1.00 0.00 C ATOM 778 O ARG A 46 6.024 -1.716 7.592 1.00 0.00 O ATOM 779 CB ARG A 46 7.402 -3.744 9.745 1.00 0.00 C ATOM 780 CG ARG A 46 6.335 -4.325 10.685 1.00 0.00 C ATOM 781 CD ARG A 46 6.792 -4.318 12.149 1.00 0.00 C ATOM 782 NE ARG A 46 6.816 -2.960 12.726 1.00 0.00 N ATOM 783 CZ ARG A 46 7.433 -2.571 13.825 1.00 0.00 C ATOM 784 NH1 ARG A 46 7.249 -1.357 14.241 1.00 0.00 N ATOM 785 NH2 ARG A 46 8.206 -3.355 14.523 1.00 0.00 N ATOM 0 H ARG A 46 8.400 -2.439 7.513 1.00 0.00 H new ATOM 0 HA ARG A 46 6.693 -4.819 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.336 -4.285 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.588 -2.706 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.415 -3.748 10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.103 -5.346 10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.125 -4.948 12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.788 -4.756 12.218 1.00 0.00 H new ATOM 0 HE ARG A 46 6.298 -2.243 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.638 -0.727 13.721 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.715 -1.032 15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.357 -4.319 14.226 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.660 -3.004 15.366 1.00 0.00 H new ATOM 799 N LEU A 47 4.616 -3.424 7.948 1.00 0.00 N ATOM 800 CA LEU A 47 3.388 -2.687 7.627 1.00 0.00 C ATOM 801 C LEU A 47 2.669 -2.222 8.898 1.00 0.00 C ATOM 802 O LEU A 47 2.490 -3.014 9.825 1.00 0.00 O ATOM 803 CB LEU A 47 2.467 -3.615 6.819 1.00 0.00 C ATOM 804 CG LEU A 47 1.123 -2.994 6.381 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.282 -2.129 5.135 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.100 -4.100 6.132 1.00 0.00 C ATOM 0 H LEU A 47 4.446 -4.395 8.210 1.00 0.00 H new ATOM 0 HA LEU A 47 3.644 -1.799 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.002 -3.946 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.260 -4.504 7.415 1.00 0.00 H new ATOM 0 HG LEU A 47 0.771 -2.348 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.315 -1.709 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.983 -1.320 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.662 -2.738 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.847 -3.657 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.464 -4.762 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.049 -4.671 7.048 1.00 0.00 H new ATOM 818 N ARG A 48 2.121 -1.004 8.872 1.00 0.00 N ATOM 819 CA ARG A 48 1.015 -0.560 9.730 1.00 0.00 C ATOM 820 C ARG A 48 -0.127 -0.006 8.875 1.00 0.00 C ATOM 821 O ARG A 48 0.094 0.749 7.930 1.00 0.00 O ATOM 822 CB ARG A 48 1.524 0.498 10.730 1.00 0.00 C ATOM 823 CG ARG A 48 1.079 0.270 12.180 1.00 0.00 C ATOM 824 CD ARG A 48 1.729 -0.986 12.770 1.00 0.00 C ATOM 825 NE ARG A 48 1.549 -1.060 14.232 1.00 0.00 N ATOM 826 CZ ARG A 48 2.302 -0.483 15.154 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.038 -0.671 16.416 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.316 0.287 14.873 1.00 0.00 N ATOM 0 H ARG A 48 2.443 -0.276 8.234 1.00 0.00 H new ATOM 0 HA ARG A 48 0.631 -1.410 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.613 0.517 10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.178 1.480 10.408 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.344 1.137 12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.006 0.173 12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.296 -1.872 12.305 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.793 -0.990 12.534 1.00 0.00 H new ATOM 0 HE ARG A 48 0.761 -1.614 14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.253 -1.262 16.690 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.616 -0.228 17.130 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.563 0.470 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.862 0.706 15.626 1.00 0.00 H new ATOM 842 N ILE A 49 -1.358 -0.346 9.229 1.00 0.00 N ATOM 843 CA ILE A 49 -2.570 0.304 8.710 1.00 0.00 C ATOM 844 C ILE A 49 -3.383 0.821 9.891 1.00 0.00 C ATOM 845 O ILE A 49 -3.594 0.107 10.871 1.00 0.00 O ATOM 846 CB ILE A 49 -3.374 -0.641 7.792 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.522 -1.013 6.558 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.708 -0.021 7.343 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.241 -1.895 5.535 1.00 0.00 C ATOM 0 H ILE A 49 -1.554 -1.093 9.896 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.298 1.150 8.079 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.611 -1.537 8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.199 -0.096 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.622 -1.528 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.237 -0.723 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.319 0.201 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.514 0.900 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.570 -2.107 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.540 -2.831 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.125 -1.376 5.165 1.00 0.00 H new ATOM 861 N THR A 50 -3.844 2.062 9.790 1.00 0.00 N ATOM 862 CA THR A 50 -4.630 2.779 10.805 1.00 0.00 C ATOM 863 C THR A 50 -5.863 3.425 10.155 1.00 0.00 C ATOM 864 O THR A 50 -5.970 3.454 8.928 1.00 0.00 O ATOM 865 CB THR A 50 -3.772 3.876 11.459 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.534 4.859 10.487 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.414 3.393 11.975 1.00 0.00 C ATOM 0 H THR A 50 -3.675 2.630 8.960 1.00 0.00 H new ATOM 0 HA THR A 50 -4.950 2.066 11.565 1.00 0.00 H new ATOM 0 HB THR A 50 -4.325 4.239 12.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.034 5.601 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.875 4.230 12.420 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.565 2.618 12.726 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.833 2.987 11.147 1.00 0.00 H new ATOM 875 N SER A 51 -6.779 3.987 10.946 1.00 0.00 N ATOM 876 CA SER A 51 -7.888 4.822 10.479 1.00 0.00 C ATOM 877 C SER A 51 -8.329 5.822 11.537 1.00 0.00 C ATOM 878 O SER A 51 -8.624 5.465 12.676 1.00 0.00 O ATOM 879 CB SER A 51 -9.096 3.993 10.031 1.00 0.00 C ATOM 880 OG SER A 51 -9.636 3.214 11.087 1.00 0.00 O ATOM 0 H SER A 51 -6.770 3.870 11.959 1.00 0.00 H new ATOM 0 HA SER A 51 -7.504 5.365 9.615 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.867 4.659 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.800 3.336 9.213 1.00 0.00 H new ATOM 0 HG SER A 51 -9.490 3.673 11.940 1.00 0.00 H new ATOM 886 N LYS A 52 -8.417 7.090 11.146 1.00 0.00 N ATOM 887 CA LYS A 52 -9.005 8.162 11.963 1.00 0.00 C ATOM 888 C LYS A 52 -10.539 8.223 11.818 1.00 0.00 C ATOM 889 O LYS A 52 -11.236 8.605 12.754 1.00 0.00 O ATOM 890 CB LYS A 52 -8.288 9.457 11.569 1.00 0.00 C ATOM 891 CG LYS A 52 -8.725 10.673 12.389 1.00 0.00 C ATOM 892 CD LYS A 52 -8.326 11.989 11.726 1.00 0.00 C ATOM 893 CE LYS A 52 -6.831 12.276 11.577 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.621 13.519 10.795 1.00 0.00 N ATOM 0 H LYS A 52 -8.078 7.413 10.240 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.856 7.979 13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.213 9.318 11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.470 9.657 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.806 10.649 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.279 10.619 13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.775 12.016 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.770 12.803 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.373 12.376 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.341 11.439 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.602 13.702 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.041 13.410 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.073 14.318 11.285 1.00 0.00 H new ATOM 908 N GLY A 53 -11.072 7.808 10.669 1.00 0.00 N ATOM 909 CA GLY A 53 -12.509 7.811 10.368 1.00 0.00 C ATOM 910 C GLY A 53 -12.771 7.187 9.000 1.00 0.00 C ATOM 911 O GLY A 53 -12.329 6.066 8.748 1.00 0.00 O ATOM 0 H GLY A 53 -10.505 7.451 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.048 7.257 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.888 8.833 10.387 1.00 0.00 H new ATOM 915 N LYS A 54 -13.404 7.934 8.086 1.00 0.00 N ATOM 916 CA LYS A 54 -13.492 7.594 6.646 1.00 0.00 C ATOM 917 C LYS A 54 -12.127 7.496 5.960 1.00 0.00 C ATOM 918 O LYS A 54 -11.999 6.828 4.937 1.00 0.00 O ATOM 919 CB LYS A 54 -14.457 8.589 5.971 1.00 0.00 C ATOM 920 CG LYS A 54 -14.797 8.215 4.525 1.00 0.00 C ATOM 921 CD LYS A 54 -15.782 9.212 3.896 1.00 0.00 C ATOM 922 CE LYS A 54 -16.174 8.863 2.449 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.065 9.077 1.482 1.00 0.00 N ATOM 0 H LYS A 54 -13.879 8.805 8.322 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.896 6.587 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.378 8.642 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.012 9.584 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.883 8.184 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.227 7.214 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.683 9.254 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.339 10.208 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.492 7.821 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.030 9.470 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.450 9.126 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.577 9.968 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.391 8.287 1.546 1.00 0.00 H new ATOM 937 N THR A 55 -11.094 8.075 6.563 1.00 0.00 N ATOM 938 CA THR A 55 -9.710 7.952 6.113 1.00 0.00 C ATOM 939 C THR A 55 -8.950 6.882 6.890 1.00 0.00 C ATOM 940 O THR A 55 -8.868 6.934 8.122 1.00 0.00 O ATOM 941 CB THR A 55 -8.964 9.295 6.189 1.00 0.00 C ATOM 942 OG1 THR A 55 -9.839 10.408 6.187 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.079 9.430 4.957 1.00 0.00 C ATOM 0 H THR A 55 -11.197 8.655 7.396 1.00 0.00 H new ATOM 0 HA THR A 55 -9.753 7.644 5.068 1.00 0.00 H new ATOM 0 HB THR A 55 -8.398 9.293 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.316 11.235 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.543 10.378 4.996 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.363 8.609 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.697 9.400 4.060 1.00 0.00 H new ATOM 951 N ALA A 56 -8.361 5.940 6.152 1.00 0.00 N ATOM 952 CA ALA A 56 -7.289 5.068 6.623 1.00 0.00 C ATOM 953 C ALA A 56 -5.922 5.610 6.176 1.00 0.00 C ATOM 954 O ALA A 56 -5.843 6.417 5.247 1.00 0.00 O ATOM 955 CB ALA A 56 -7.551 3.612 6.208 1.00 0.00 C ATOM 0 H ALA A 56 -8.625 5.759 5.184 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.270 5.065 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.740 2.979 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.494 3.275 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.605 3.548 5.121 1.00 0.00 H new ATOM 961 N TYR A 57 -4.843 5.185 6.831 1.00 0.00 N ATOM 962 CA TYR A 57 -3.488 5.611 6.504 1.00 0.00 C ATOM 963 C TYR A 57 -2.615 4.362 6.410 1.00 0.00 C ATOM 964 O TYR A 57 -2.438 3.633 7.391 1.00 0.00 O ATOM 965 CB TYR A 57 -2.965 6.638 7.530 1.00 0.00 C ATOM 966 CG TYR A 57 -3.844 7.870 7.712 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.027 7.803 8.479 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.492 9.085 7.090 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.897 8.907 8.546 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.335 10.209 7.200 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.549 10.119 7.913 1.00 0.00 C ATOM 972 OH TYR A 57 -6.375 11.200 7.992 1.00 0.00 O ATOM 0 H TYR A 57 -4.888 4.529 7.611 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.466 6.127 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.856 6.142 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.970 6.962 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.266 6.898 9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.573 9.155 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.831 8.827 9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.051 11.142 6.737 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.980 11.950 7.500 1.00 0.00 H new ATOM 982 N ILE A 58 -2.079 4.101 5.217 1.00 0.00 N ATOM 983 CA ILE A 58 -1.027 3.102 5.039 1.00 0.00 C ATOM 984 C ILE A 58 0.260 3.733 5.556 1.00 0.00 C ATOM 985 O ILE A 58 0.711 4.729 4.997 1.00 0.00 O ATOM 986 CB ILE A 58 -0.853 2.671 3.565 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.162 2.426 2.788 1.00 0.00 C ATOM 988 CG2 ILE A 58 0.060 1.434 3.532 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.079 1.346 3.360 1.00 0.00 C ATOM 0 H ILE A 58 -2.359 4.571 4.356 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.290 2.196 5.584 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.401 3.512 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.718 3.363 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.909 2.157 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.198 1.111 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.028 1.685 3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.398 0.629 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.969 1.257 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.551 0.392 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.372 1.617 4.374 1.00 0.00 H new ATOM 1001 N LYS A 59 0.840 3.175 6.612 1.00 0.00 N ATOM 1002 CA LYS A 59 2.151 3.552 7.165 1.00 0.00 C ATOM 1003 C LYS A 59 3.161 2.415 6.973 1.00 0.00 C ATOM 1004 O LYS A 59 2.926 1.286 7.401 1.00 0.00 O ATOM 1005 CB LYS A 59 1.970 3.924 8.642 1.00 0.00 C ATOM 1006 CG LYS A 59 1.438 5.356 8.795 1.00 0.00 C ATOM 1007 CD LYS A 59 1.039 5.621 10.252 1.00 0.00 C ATOM 1008 CE LYS A 59 1.183 7.099 10.622 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.162 7.945 9.967 1.00 0.00 N ATOM 0 H LYS A 59 0.399 2.417 7.133 1.00 0.00 H new ATOM 0 HA LYS A 59 2.551 4.417 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.279 3.225 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.923 3.830 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.200 6.070 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.578 5.504 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.007 5.306 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.661 5.018 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.104 7.210 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.176 7.447 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.036 8.822 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.472 8.179 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.741 7.430 9.926 1.00 0.00 H new ATOM 1023 N LEU A 60 4.297 2.700 6.338 1.00 0.00 N ATOM 1024 CA LEU A 60 5.377 1.728 6.129 1.00 0.00 C ATOM 1025 C LEU A 60 6.523 1.992 7.110 1.00 0.00 C ATOM 1026 O LEU A 60 7.005 3.119 7.215 1.00 0.00 O ATOM 1027 CB LEU A 60 5.838 1.780 4.663 1.00 0.00 C ATOM 1028 CG LEU A 60 4.789 1.286 3.648 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.313 1.514 2.234 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.507 -0.210 3.794 1.00 0.00 C ATOM 0 H LEU A 60 4.499 3.621 5.949 1.00 0.00 H new ATOM 0 HA LEU A 60 5.014 0.719 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.109 2.806 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.740 1.178 4.557 1.00 0.00 H new ATOM 0 HG LEU A 60 3.871 1.842 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.574 1.166 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.497 2.577 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.243 0.962 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.762 -0.513 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.427 -0.771 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.131 -0.413 4.797 1.00 0.00 H new ATOM 1042 N GLU A 61 6.953 0.959 7.829 1.00 0.00 N ATOM 1043 CA GLU A 61 7.850 1.047 8.987 1.00 0.00 C ATOM 1044 C GLU A 61 9.148 0.249 8.777 1.00 0.00 C ATOM 1045 O GLU A 61 9.147 -0.809 8.144 1.00 0.00 O ATOM 1046 CB GLU A 61 7.134 0.516 10.241 1.00 0.00 C ATOM 1047 CG GLU A 61 5.855 1.274 10.632 1.00 0.00 C ATOM 1048 CD GLU A 61 5.211 0.707 11.915 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.374 1.397 12.540 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.518 -0.439 12.322 1.00 0.00 O ATOM 0 H GLU A 61 6.678 -0.000 7.617 1.00 0.00 H new ATOM 0 HA GLU A 61 8.114 2.097 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.882 -0.532 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.829 0.551 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.090 2.328 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.138 1.220 9.813 1.00 0.00 H new ATOM 1057 N ASP A 62 10.261 0.708 9.355 1.00 0.00 N ATOM 1058 CA ASP A 62 11.523 -0.020 9.377 1.00 0.00 C ATOM 1059 C ASP A 62 11.390 -1.291 10.240 1.00 0.00 C ATOM 1060 O ASP A 62 10.714 -1.288 11.275 1.00 0.00 O ATOM 1061 CB ASP A 62 12.621 0.931 9.873 1.00 0.00 C ATOM 1062 CG ASP A 62 13.968 0.216 9.973 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.803 0.336 9.048 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.149 -0.496 10.983 1.00 0.00 O ATOM 0 H ASP A 62 10.307 1.611 9.827 1.00 0.00 H new ATOM 0 HA ASP A 62 11.796 -0.360 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.706 1.779 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.346 1.331 10.849 1.00 0.00 H new ATOM 1069 N LYS A 63 12.043 -2.383 9.825 1.00 0.00 N ATOM 1070 CA LYS A 63 11.828 -3.728 10.383 1.00 0.00 C ATOM 1071 C LYS A 63 12.390 -3.911 11.797 1.00 0.00 C ATOM 1072 O LYS A 63 12.091 -4.914 12.446 1.00 0.00 O ATOM 1073 CB LYS A 63 12.395 -4.774 9.402 1.00 0.00 C ATOM 1074 CG LYS A 63 11.422 -5.949 9.250 1.00 0.00 C ATOM 1075 CD LYS A 63 11.884 -6.936 8.168 1.00 0.00 C ATOM 1076 CE LYS A 63 10.762 -7.922 7.821 1.00 0.00 C ATOM 1077 NZ LYS A 63 10.462 -8.857 8.936 1.00 0.00 N ATOM 0 H LYS A 63 12.744 -2.360 9.084 1.00 0.00 H new ATOM 0 HA LYS A 63 10.753 -3.870 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.572 -4.312 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.358 -5.136 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.331 -6.471 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.432 -5.570 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.184 -6.389 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.760 -7.482 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.860 -7.366 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.046 -8.494 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.808 -9.808 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.933 -8.527 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.434 -8.892 9.093 1.00 0.00 H new ATOM 1091 N VAL A 64 13.191 -2.954 12.269 1.00 0.00 N ATOM 1092 CA VAL A 64 13.877 -2.991 13.567 1.00 0.00 C ATOM 1093 C VAL A 64 13.742 -1.705 14.379 1.00 0.00 C ATOM 1094 O VAL A 64 13.735 -1.776 15.610 1.00 0.00 O ATOM 1095 CB VAL A 64 15.367 -3.341 13.403 1.00 0.00 C ATOM 1096 CG1 VAL A 64 15.563 -4.859 13.320 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.095 -2.694 12.219 1.00 0.00 C ATOM 0 H VAL A 64 13.388 -2.103 11.743 1.00 0.00 H new ATOM 0 HA VAL A 64 13.371 -3.776 14.129 1.00 0.00 H new ATOM 0 HB VAL A 64 15.821 -2.917 14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 64 16.623 -5.083 13.204 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.191 -5.324 14.233 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.014 -5.250 12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.136 -3.017 12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.614 -2.995 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.053 -1.609 12.315 1.00 0.00 H new ATOM 1107 N SER A 65 13.592 -0.547 13.732 1.00 0.00 N ATOM 1108 CA SER A 65 13.466 0.746 14.420 1.00 0.00 C ATOM 1109 C SER A 65 12.023 1.262 14.459 1.00 0.00 C ATOM 1110 O SER A 65 11.726 2.210 15.188 1.00 0.00 O ATOM 1111 CB SER A 65 14.387 1.785 13.766 1.00 0.00 C ATOM 1112 OG SER A 65 15.747 1.384 13.843 1.00 0.00 O ATOM 0 H SER A 65 13.554 -0.476 12.715 1.00 0.00 H new ATOM 0 HA SER A 65 13.770 0.586 15.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.103 1.921 12.722 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.261 2.749 14.259 1.00 0.00 H new ATOM 0 HG SER A 65 16.313 2.062 13.418 1.00 0.00 H new ATOM 1118 N GLY A 66 11.124 0.666 13.665 1.00 0.00 N ATOM 1119 CA GLY A 66 9.735 1.116 13.497 1.00 0.00 C ATOM 1120 C GLY A 66 9.580 2.488 12.816 1.00 0.00 C ATOM 1121 O GLY A 66 8.483 3.043 12.794 1.00 0.00 O ATOM 0 H GLY A 66 11.346 -0.160 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.195 0.372 12.911 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.260 1.157 14.477 1.00 0.00 H new ATOM 1125 N GLU A 67 10.667 3.052 12.278 1.00 0.00 N ATOM 1126 CA GLU A 67 10.711 4.406 11.703 1.00 0.00 C ATOM 1127 C GLU A 67 10.007 4.481 10.343 1.00 0.00 C ATOM 1128 O GLU A 67 10.034 3.526 9.567 1.00 0.00 O ATOM 1129 CB GLU A 67 12.167 4.881 11.572 1.00 0.00 C ATOM 1130 CG GLU A 67 12.765 5.328 12.911 1.00 0.00 C ATOM 1131 CD GLU A 67 12.274 6.730 13.323 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.327 6.834 14.141 1.00 0.00 O ATOM 1133 OE2 GLU A 67 12.831 7.742 12.830 1.00 0.00 O ATOM 0 H GLU A 67 11.564 2.569 12.228 1.00 0.00 H new ATOM 0 HA GLU A 67 10.174 5.065 12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.773 4.074 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.213 5.708 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.499 4.609 13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.853 5.331 12.839 1.00 0.00 H new ATOM 1140 N LEU A 68 9.382 5.622 10.041 1.00 0.00 N ATOM 1141 CA LEU A 68 8.528 5.767 8.858 1.00 0.00 C ATOM 1142 C LEU A 68 9.348 5.863 7.554 1.00 0.00 C ATOM 1143 O LEU A 68 10.130 6.798 7.362 1.00 0.00 O ATOM 1144 CB LEU A 68 7.579 6.970 9.044 1.00 0.00 C ATOM 1145 CG LEU A 68 6.405 6.978 8.045 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.321 5.969 8.433 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.752 8.358 8.004 1.00 0.00 C ATOM 0 H LEU A 68 9.453 6.468 10.606 1.00 0.00 H new ATOM 0 HA LEU A 68 7.923 4.866 8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.183 6.959 10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.148 7.893 8.934 1.00 0.00 H new ATOM 0 HG LEU A 68 6.821 6.712 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.512 6.006 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.747 4.966 8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.931 6.216 9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.925 8.348 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.377 8.613 8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.488 9.100 7.693 1.00 0.00 H new ATOM 1159 N PHE A 69 9.122 4.921 6.637 1.00 0.00 N ATOM 1160 CA PHE A 69 9.628 4.931 5.259 1.00 0.00 C ATOM 1161 C PHE A 69 8.762 5.819 4.353 1.00 0.00 C ATOM 1162 O PHE A 69 9.276 6.711 3.674 1.00 0.00 O ATOM 1163 CB PHE A 69 9.681 3.482 4.754 1.00 0.00 C ATOM 1164 CG PHE A 69 9.897 3.337 3.258 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.937 2.676 2.469 1.00 0.00 C ATOM 1166 CD2 PHE A 69 11.053 3.857 2.651 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.134 2.527 1.085 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.243 3.723 1.265 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.284 3.059 0.477 1.00 0.00 C ATOM 0 H PHE A 69 8.559 4.095 6.840 1.00 0.00 H new ATOM 0 HA PHE A 69 10.631 5.358 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.483 2.959 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.749 2.984 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.044 2.281 2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.797 4.361 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.401 2.003 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.129 4.131 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.431 2.959 -0.588 1.00 0.00 H new ATOM 1179 N ALA A 70 7.443 5.599 4.378 1.00 0.00 N ATOM 1180 CA ALA A 70 6.442 6.379 3.648 1.00 0.00 C ATOM 1181 C ALA A 70 5.054 6.238 4.291 1.00 0.00 C ATOM 1182 O ALA A 70 4.813 5.305 5.066 1.00 0.00 O ATOM 1183 CB ALA A 70 6.387 5.896 2.191 1.00 0.00 C ATOM 0 H ALA A 70 7.030 4.845 4.927 1.00 0.00 H new ATOM 0 HA ALA A 70 6.728 7.430 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.643 6.474 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.364 6.030 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.115 4.841 2.168 1.00 0.00 H new ATOM 1189 N GLN A 71 4.120 7.121 3.921 1.00 0.00 N ATOM 1190 CA GLN A 71 2.697 6.934 4.210 1.00 0.00 C ATOM 1191 C GLN A 71 1.773 7.408 3.079 1.00 0.00 C ATOM 1192 O GLN A 71 2.079 8.380 2.384 1.00 0.00 O ATOM 1193 CB GLN A 71 2.314 7.565 5.558 1.00 0.00 C ATOM 1194 CG GLN A 71 2.513 9.089 5.628 1.00 0.00 C ATOM 1195 CD GLN A 71 2.105 9.668 6.982 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.290 9.120 7.713 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.646 10.801 7.371 1.00 0.00 N ATOM 0 H GLN A 71 4.330 7.981 3.415 1.00 0.00 H new ATOM 0 HA GLN A 71 2.543 5.857 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.269 7.338 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.906 7.097 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.559 9.325 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.928 9.566 4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.327 11.272 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.385 11.209 8.269 1.00 0.00 H new ATOM 1206 N ALA A 72 0.630 6.736 2.923 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.419 7.057 1.954 1.00 0.00 C ATOM 1208 C ALA A 72 -1.802 7.169 2.649 1.00 0.00 C ATOM 1209 O ALA A 72 -2.296 6.159 3.161 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.458 5.964 0.875 1.00 0.00 C ATOM 0 H ALA A 72 0.401 5.921 3.492 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.195 8.021 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.237 6.197 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.506 5.918 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.671 5.001 1.340 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.459 8.346 2.668 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.833 8.491 3.168 1.00 0.00 C ATOM 1218 C PRO A 73 -4.867 8.023 2.130 1.00 0.00 C ATOM 1219 O PRO A 73 -4.769 8.393 0.958 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.978 9.984 3.485 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.031 10.661 2.494 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.893 9.651 2.341 1.00 0.00 C ATOM 0 HA PRO A 73 -4.016 7.871 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.005 10.323 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.701 10.203 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.522 10.860 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.671 11.618 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.498 9.660 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.065 9.894 3.007 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.879 7.250 2.534 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.944 6.721 1.656 1.00 0.00 C ATOM 1232 C VAL A 74 -8.331 7.062 2.165 1.00 0.00 C ATOM 1233 O VAL A 74 -8.648 6.768 3.310 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.807 5.202 1.449 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -6.853 4.317 2.694 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -7.849 4.668 0.458 1.00 0.00 C ATOM 0 H VAL A 74 -5.989 6.963 3.507 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.816 7.211 0.691 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.790 5.126 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.745 3.272 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.040 4.592 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.807 4.455 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.720 3.592 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.850 4.873 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.719 5.158 -0.507 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.180 7.622 1.298 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.565 7.989 1.623 1.00 0.00 C ATOM 1248 C GLU A 75 -11.612 7.218 0.791 1.00 0.00 C ATOM 1249 O GLU A 75 -12.816 7.432 0.956 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.732 9.516 1.486 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.694 10.082 2.539 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.323 11.408 2.080 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.645 12.464 2.111 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.516 11.385 1.685 1.00 0.00 O ATOM 0 H GLU A 75 -8.922 7.837 0.335 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.755 7.696 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.760 9.998 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.104 9.753 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.482 9.356 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.158 10.238 3.475 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.167 6.324 -0.104 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.997 5.418 -0.900 1.00 0.00 C ATOM 1263 C GLN A 76 -11.200 4.182 -1.365 1.00 0.00 C ATOM 1264 O GLN A 76 -10.048 4.313 -1.786 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.624 6.173 -2.095 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.709 6.539 -3.282 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.554 7.482 -2.942 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.668 8.698 -2.995 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.392 6.963 -2.595 1.00 0.00 N ATOM 0 H GLN A 76 -10.172 6.210 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.806 5.053 -0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.444 5.566 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.062 7.096 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.297 5.621 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.317 6.999 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.280 5.950 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.605 7.574 -2.376 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.821 3.000 -1.346 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.251 1.747 -1.870 1.00 0.00 C ATOM 1280 C TYR A 77 -12.250 1.014 -2.794 1.00 0.00 C ATOM 1281 O TYR A 77 -13.410 0.845 -2.396 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.787 0.860 -0.695 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.875 -0.310 -1.037 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.799 -0.114 -1.918 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.017 -1.562 -0.402 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.888 -1.144 -2.192 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.114 -2.607 -0.683 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.043 -2.404 -1.578 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.151 -3.403 -1.815 1.00 0.00 O ATOM 0 H TYR A 77 -12.756 2.880 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.383 1.982 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.271 1.494 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.673 0.466 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.671 0.847 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.821 -1.720 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.068 -0.972 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.243 -3.569 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.270 -3.017 -2.002 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.862 0.584 -4.017 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.620 0.922 -4.732 1.00 0.00 C ATOM 1301 C PRO A 78 -10.479 2.432 -5.011 1.00 0.00 C ATOM 1302 O PRO A 78 -11.470 3.165 -5.051 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.661 0.114 -6.033 1.00 0.00 C ATOM 1304 CG PRO A 78 -12.156 -0.041 -6.302 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.725 -0.198 -4.895 1.00 0.00 C ATOM 0 HA PRO A 78 -9.750 0.674 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.158 0.636 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.170 -0.853 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.569 0.828 -6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.369 -0.909 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.754 0.160 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.738 -1.246 -4.595 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.242 2.897 -5.201 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.923 4.295 -5.514 1.00 0.00 C ATOM 1315 C GLY A 79 -7.477 4.489 -5.985 1.00 0.00 C ATOM 1316 O GLY A 79 -6.787 3.533 -6.333 1.00 0.00 O ATOM 0 H GLY A 79 -8.416 2.301 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.602 4.652 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.097 4.908 -4.630 1.00 0.00 H new ATOM 1320 N ILE A 80 -6.995 5.736 -5.969 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.621 6.086 -6.375 1.00 0.00 C ATOM 1322 C ILE A 80 -4.616 5.883 -5.232 1.00 0.00 C ATOM 1323 O ILE A 80 -3.421 5.702 -5.463 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.596 7.519 -6.960 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.277 7.888 -7.672 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -5.880 8.590 -5.888 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.862 6.920 -8.789 1.00 0.00 C ATOM 0 H ILE A 80 -7.548 6.540 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.301 5.404 -7.162 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.392 7.509 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.374 8.888 -8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.479 7.931 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.852 9.579 -6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.865 8.419 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.124 8.531 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.925 7.257 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.728 5.921 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.638 6.894 -9.554 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.101 5.871 -3.985 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.275 5.654 -2.808 1.00 0.00 C ATOM 1341 C ALA A 81 -4.008 4.172 -2.518 1.00 0.00 C ATOM 1342 O ALA A 81 -3.105 3.878 -1.742 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.918 6.349 -1.608 1.00 0.00 C ATOM 0 H ALA A 81 -6.088 6.014 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.296 6.090 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.303 6.190 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.998 7.418 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.912 5.936 -1.438 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.760 3.250 -3.128 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.490 1.805 -3.119 1.00 0.00 C ATOM 1351 C VAL A 82 -5.237 1.101 -4.260 1.00 0.00 C ATOM 1352 O VAL A 82 -6.460 1.194 -4.384 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.784 1.173 -1.749 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.140 1.538 -1.152 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.441 -0.319 -1.732 1.00 0.00 C ATOM 0 H VAL A 82 -5.597 3.493 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.423 1.665 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.100 1.642 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.257 1.046 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.200 2.618 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.933 1.211 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.662 -0.732 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.035 -0.837 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.382 -0.451 -1.952 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.482 0.386 -5.092 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.939 -0.305 -6.307 1.00 0.00 C ATOM 1367 C GLU A 83 -4.277 -1.685 -6.447 1.00 0.00 C ATOM 1368 O GLU A 83 -3.128 -1.869 -6.042 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.602 0.564 -7.540 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.803 0.862 -8.444 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.312 -0.385 -9.189 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.983 -1.234 -8.555 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.051 -0.509 -10.410 1.00 0.00 O ATOM 0 H GLU A 83 -3.482 0.264 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.016 -0.456 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.174 1.507 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.835 0.060 -8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.612 1.275 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.525 1.625 -9.171 1.00 0.00 H new ATOM 1380 N THR A 84 -4.954 -2.642 -7.082 1.00 0.00 N ATOM 1381 CA THR A 84 -4.387 -3.944 -7.458 1.00 0.00 C ATOM 1382 C THR A 84 -3.947 -3.863 -8.910 1.00 0.00 C ATOM 1383 O THR A 84 -4.740 -4.024 -9.835 1.00 0.00 O ATOM 1384 CB THR A 84 -5.367 -5.110 -7.262 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.249 -4.901 -6.175 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.621 -6.414 -6.995 1.00 0.00 C ATOM 0 H THR A 84 -5.931 -2.535 -7.356 1.00 0.00 H new ATOM 0 HA THR A 84 -3.543 -4.151 -6.800 1.00 0.00 H new ATOM 0 HB THR A 84 -5.939 -5.169 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.853 -5.668 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.339 -7.223 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.972 -6.642 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.018 -6.310 -6.093 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.654 -3.592 -9.064 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.779 -3.815 -10.233 1.00 0.00 C ATOM 1396 C VAL A 85 -2.484 -4.145 -11.560 1.00 0.00 C ATOM 1397 O VAL A 85 -2.519 -3.303 -12.460 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.704 -4.864 -9.881 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.403 -4.186 -9.073 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.217 -6.043 -9.041 1.00 0.00 C ATOM 0 H VAL A 85 -2.130 -3.166 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.319 -2.848 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.359 -5.264 -10.834 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.169 -4.919 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.848 -3.387 -9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.018 -3.769 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.396 -6.731 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.618 -5.671 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.002 -6.565 -9.588 1.00 0.00 H new ATOM 1410 N THR A 86 -3.043 -5.352 -11.657 1.00 0.00 N ATOM 1411 CA THR A 86 -4.142 -5.741 -12.558 1.00 0.00 C ATOM 1412 C THR A 86 -5.055 -6.767 -11.881 1.00 0.00 C ATOM 1413 O THR A 86 -6.268 -6.570 -11.810 1.00 0.00 O ATOM 1414 CB THR A 86 -3.652 -6.368 -13.873 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.619 -7.294 -13.637 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.102 -5.333 -14.839 1.00 0.00 C ATOM 0 H THR A 86 -2.728 -6.131 -11.079 1.00 0.00 H new ATOM 0 HA THR A 86 -4.674 -4.817 -12.783 1.00 0.00 H new ATOM 0 HB THR A 86 -4.526 -6.853 -14.308 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.325 -7.680 -14.488 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.769 -5.828 -15.752 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.882 -4.611 -15.081 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.260 -4.817 -14.378 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.470 -7.868 -11.389 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.205 -9.105 -11.076 1.00 0.00 C ATOM 1426 C ASP A 87 -4.635 -9.926 -9.897 1.00 0.00 C ATOM 1427 O ASP A 87 -5.354 -10.119 -8.915 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.288 -9.939 -12.359 1.00 0.00 C ATOM 1429 CG ASP A 87 -6.441 -9.476 -13.269 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -6.173 -8.910 -14.354 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.618 -9.714 -12.911 1.00 0.00 O ATOM 0 H ASP A 87 -3.470 -7.927 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.197 -8.818 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.345 -9.866 -12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.427 -10.989 -12.102 1.00 0.00 H new ATOM 1436 N SER A 88 -3.371 -10.392 -9.933 1.00 0.00 N ATOM 1437 CA SER A 88 -2.708 -10.939 -8.726 1.00 0.00 C ATOM 1438 C SER A 88 -2.720 -9.933 -7.582 1.00 0.00 C ATOM 1439 O SER A 88 -2.133 -8.854 -7.663 1.00 0.00 O ATOM 1440 CB SER A 88 -1.254 -11.413 -8.890 1.00 0.00 C ATOM 1441 OG SER A 88 -0.779 -11.936 -7.657 1.00 0.00 O ATOM 0 H SER A 88 -2.792 -10.402 -10.773 1.00 0.00 H new ATOM 0 HA SER A 88 -3.309 -11.824 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.195 -12.176 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.625 -10.583 -9.211 1.00 0.00 H new ATOM 0 HG SER A 88 0.147 -12.239 -7.765 1.00 0.00 H new ATOM 1447 N SER A 89 -3.315 -10.358 -6.476 1.00 0.00 N ATOM 1448 CA SER A 89 -3.415 -9.601 -5.234 1.00 0.00 C ATOM 1449 C SER A 89 -2.349 -10.054 -4.220 1.00 0.00 C ATOM 1450 O SER A 89 -2.558 -10.053 -3.009 1.00 0.00 O ATOM 1451 CB SER A 89 -4.879 -9.663 -4.807 1.00 0.00 C ATOM 1452 OG SER A 89 -5.203 -8.739 -3.785 1.00 0.00 O ATOM 0 H SER A 89 -3.759 -11.275 -6.416 1.00 0.00 H new ATOM 0 HA SER A 89 -3.170 -8.544 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.512 -9.472 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.107 -10.671 -4.462 1.00 0.00 H new ATOM 0 HG SER A 89 -4.400 -8.240 -3.529 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.171 -10.454 -4.743 1.00 0.00 N ATOM 1459 CA ARG A 90 0.120 -10.470 -4.023 1.00 0.00 C ATOM 1460 C ARG A 90 0.795 -9.086 -4.032 1.00 0.00 C ATOM 1461 O ARG A 90 1.623 -8.794 -3.167 1.00 0.00 O ATOM 1462 CB ARG A 90 1.037 -11.545 -4.634 1.00 0.00 C ATOM 1463 CG ARG A 90 2.236 -11.891 -3.733 1.00 0.00 C ATOM 1464 CD ARG A 90 3.091 -12.982 -4.383 1.00 0.00 C ATOM 1465 NE ARG A 90 4.176 -13.440 -3.492 1.00 0.00 N ATOM 1466 CZ ARG A 90 5.039 -14.405 -3.766 1.00 0.00 C ATOM 1467 NH1 ARG A 90 5.884 -14.827 -2.872 1.00 0.00 N ATOM 1468 NH2 ARG A 90 5.078 -14.986 -4.932 1.00 0.00 N ATOM 0 H ARG A 90 -1.089 -10.784 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.069 -10.718 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.456 -12.448 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.403 -11.197 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.840 -11.000 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.882 -12.229 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.458 -13.829 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.520 -12.602 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 90 4.268 -12.973 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.889 -14.413 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.541 -15.572 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.431 -14.700 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.756 -15.727 -5.110 1.00 0.00 H new ATOM 1482 N TYR A 91 0.423 -8.241 -4.997 1.00 0.00 N ATOM 1483 CA TYR A 91 0.937 -6.884 -5.188 1.00 0.00 C ATOM 1484 C TYR A 91 -0.155 -5.817 -5.094 1.00 0.00 C ATOM 1485 O TYR A 91 -1.331 -6.090 -5.343 1.00 0.00 O ATOM 1486 CB TYR A 91 1.590 -6.742 -6.568 1.00 0.00 C ATOM 1487 CG TYR A 91 2.496 -7.861 -7.015 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.794 -7.963 -6.488 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.048 -8.760 -8.001 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.651 -8.982 -6.945 1.00 0.00 C ATOM 1491 CE2 TYR A 91 2.904 -9.766 -8.477 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.210 -9.884 -7.940 1.00 0.00 C ATOM 1493 OH TYR A 91 5.058 -10.851 -8.382 1.00 0.00 O ATOM 0 H TYR A 91 -0.275 -8.496 -5.696 1.00 0.00 H new ATOM 0 HA TYR A 91 1.660 -6.729 -4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.797 -6.632 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.165 -5.816 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.132 -7.264 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.045 -8.676 -8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.646 -9.075 -6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.569 -10.445 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 91 5.981 -10.526 -8.329 1.00 0.00 H new ATOM 1503 N PHE A 92 0.273 -4.580 -4.841 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.555 -3.372 -4.902 1.00 0.00 C ATOM 1505 C PHE A 92 0.241 -2.187 -5.452 1.00 0.00 C ATOM 1506 O PHE A 92 1.459 -2.263 -5.611 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.110 -3.039 -3.508 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.945 -4.158 -2.934 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.367 -5.053 -2.020 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.266 -4.357 -3.382 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.110 -6.147 -1.555 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.002 -5.464 -2.926 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.422 -6.362 -2.014 1.00 0.00 C ATOM 0 H PHE A 92 1.239 -4.383 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.387 -3.564 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.282 -2.825 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.714 -2.134 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.355 -4.899 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.713 -3.659 -4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.673 -6.828 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.011 -5.624 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.983 -7.217 -1.666 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.439 -1.071 -5.694 1.00 0.00 N ATOM 1524 CA VAL A 93 0.165 0.254 -5.866 1.00 0.00 C ATOM 1525 C VAL A 93 -0.540 1.238 -4.945 1.00 0.00 C ATOM 1526 O VAL A 93 -1.770 1.263 -4.919 1.00 0.00 O ATOM 1527 CB VAL A 93 0.092 0.728 -7.328 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.739 2.109 -7.475 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.803 -0.256 -8.263 1.00 0.00 C ATOM 0 H VAL A 93 -1.455 -1.059 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 93 1.222 0.195 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.961 0.783 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.679 2.430 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.214 2.826 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.785 2.055 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.736 0.104 -9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.851 -0.338 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.329 -1.235 -8.190 1.00 0.00 H new ATOM 1539 N ILE A 94 0.213 2.058 -4.207 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.320 3.139 -3.369 1.00 0.00 C ATOM 1541 C ILE A 94 0.342 4.472 -3.748 1.00 0.00 C ATOM 1542 O ILE A 94 1.541 4.509 -4.044 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.204 2.806 -1.855 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.248 2.784 -1.342 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.871 1.457 -1.529 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.336 2.616 0.178 1.00 0.00 C ATOM 0 H ILE A 94 1.230 1.989 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.388 3.241 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.724 3.615 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.787 1.969 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.745 3.710 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.774 1.251 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.927 1.499 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.385 0.664 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.382 2.607 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.823 3.444 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.866 1.676 0.468 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.418 5.577 -3.724 1.00 0.00 N ATOM 1559 CA ARG A 95 0.152 6.934 -3.811 1.00 0.00 C ATOM 1560 C ARG A 95 0.483 7.443 -2.410 1.00 0.00 C ATOM 1561 O ARG A 95 -0.420 7.642 -1.600 1.00 0.00 O ATOM 1562 CB ARG A 95 -0.689 7.874 -4.707 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.906 8.590 -4.108 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.573 9.879 -3.346 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.776 10.421 -2.685 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.345 9.926 -1.601 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.473 10.392 -1.157 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.832 8.938 -0.933 1.00 0.00 N ATOM 0 H ARG A 95 -1.435 5.559 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 95 1.104 6.907 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.019 8.639 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.039 7.290 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.604 8.827 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.419 7.905 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.802 9.678 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.166 10.619 -4.035 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.204 11.248 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.938 11.156 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.894 9.994 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.957 8.514 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.304 8.586 -0.100 1.00 0.00 H new ATOM 1582 N ILE A 96 1.761 7.635 -2.118 1.00 0.00 N ATOM 1583 CA ILE A 96 2.287 8.150 -0.846 1.00 0.00 C ATOM 1584 C ILE A 96 2.518 9.663 -0.909 1.00 0.00 C ATOM 1585 O ILE A 96 2.727 10.212 -1.988 1.00 0.00 O ATOM 1586 CB ILE A 96 3.596 7.425 -0.456 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.646 7.497 -1.585 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.316 5.965 -0.073 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.069 7.258 -1.097 1.00 0.00 C ATOM 0 H ILE A 96 2.501 7.428 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 96 1.538 7.953 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 96 4.008 7.940 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.401 6.758 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.592 8.476 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.251 5.474 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.632 5.936 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.866 5.447 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.758 7.322 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.331 8.013 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.138 6.268 -0.647 1.00 0.00 H new ATOM 1601 N GLN A 97 2.567 10.325 0.245 1.00 0.00 N ATOM 1602 CA GLN A 97 3.211 11.638 0.386 1.00 0.00 C ATOM 1603 C GLN A 97 4.738 11.474 0.476 1.00 0.00 C ATOM 1604 O GLN A 97 5.223 10.569 1.158 1.00 0.00 O ATOM 1605 CB GLN A 97 2.676 12.338 1.647 1.00 0.00 C ATOM 1606 CG GLN A 97 1.335 13.050 1.422 1.00 0.00 C ATOM 1607 CD GLN A 97 1.522 14.492 0.954 1.00 0.00 C ATOM 1608 OE1 GLN A 97 1.672 15.415 1.746 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.548 14.758 -0.331 1.00 0.00 N ATOM 0 H GLN A 97 2.163 9.970 1.111 1.00 0.00 H new ATOM 0 HA GLN A 97 2.980 12.247 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.560 11.601 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.412 13.064 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.753 12.501 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.760 13.041 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.426 14.007 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.691 15.716 -0.651 1.00 0.00 H new ATOM 1682 N SER A 103 3.512 14.174 -3.780 1.00 0.00 N ATOM 1683 CA SER A 103 3.176 12.743 -3.722 1.00 0.00 C ATOM 1684 C SER A 103 3.885 11.909 -4.800 1.00 0.00 C ATOM 1685 O SER A 103 4.283 12.430 -5.846 1.00 0.00 O ATOM 1686 CB SER A 103 1.656 12.555 -3.812 1.00 0.00 C ATOM 1687 OG SER A 103 1.021 13.128 -2.678 1.00 0.00 O ATOM 0 HA SER A 103 3.537 12.374 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.278 13.020 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.417 11.493 -3.874 1.00 0.00 H new ATOM 0 HG SER A 103 0.052 13.003 -2.748 1.00 0.00 H new ATOM 1693 N ALA A 104 4.029 10.606 -4.544 1.00 0.00 N ATOM 1694 CA ALA A 104 4.680 9.623 -5.417 1.00 0.00 C ATOM 1695 C ALA A 104 3.931 8.279 -5.422 1.00 0.00 C ATOM 1696 O ALA A 104 3.329 7.901 -4.420 1.00 0.00 O ATOM 1697 CB ALA A 104 6.137 9.452 -4.965 1.00 0.00 C ATOM 0 H ALA A 104 3.679 10.187 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 104 4.658 9.988 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.634 8.723 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.654 10.409 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.159 9.102 -3.933 1.00 0.00 H new ATOM 1703 N PHE A 105 3.984 7.534 -6.528 1.00 0.00 N ATOM 1704 CA PHE A 105 3.431 6.176 -6.603 1.00 0.00 C ATOM 1705 C PHE A 105 4.503 5.131 -6.273 1.00 0.00 C ATOM 1706 O PHE A 105 5.589 5.145 -6.857 1.00 0.00 O ATOM 1707 CB PHE A 105 2.803 5.923 -7.982 1.00 0.00 C ATOM 1708 CG PHE A 105 1.806 6.987 -8.400 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.521 7.024 -7.823 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.186 7.979 -9.324 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.371 8.051 -8.177 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.294 9.011 -9.665 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.011 9.047 -9.091 1.00 0.00 C ATOM 0 H PHE A 105 4.411 7.853 -7.398 1.00 0.00 H new ATOM 0 HA PHE A 105 2.642 6.083 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.596 5.867 -8.728 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.305 4.954 -7.973 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.223 6.267 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.168 7.947 -9.773 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.359 8.075 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.594 9.775 -10.367 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.678 9.837 -9.352 1.00 0.00 H new ATOM 1723 N ILE A 106 4.185 4.199 -5.371 1.00 0.00 N ATOM 1724 CA ILE A 106 4.995 2.997 -5.115 1.00 0.00 C ATOM 1725 C ILE A 106 4.198 1.714 -5.342 1.00 0.00 C ATOM 1726 O ILE A 106 3.071 1.564 -4.869 1.00 0.00 O ATOM 1727 CB ILE A 106 5.670 2.990 -3.724 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.686 3.219 -2.557 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.810 4.025 -3.697 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.284 2.909 -1.180 1.00 0.00 C ATOM 0 H ILE A 106 3.349 4.255 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 106 5.802 3.032 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 106 6.075 1.990 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.351 4.256 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.804 2.597 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.284 4.018 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.548 3.773 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.406 5.017 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.536 3.093 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.593 1.864 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.149 3.549 -1.006 1.00 0.00 H new ATOM 1742 N GLY A 107 4.823 0.770 -6.045 1.00 0.00 N ATOM 1743 CA GLY A 107 4.365 -0.612 -6.151 1.00 0.00 C ATOM 1744 C GLY A 107 4.854 -1.418 -4.953 1.00 0.00 C ATOM 1745 O GLY A 107 5.998 -1.266 -4.523 1.00 0.00 O ATOM 0 H GLY A 107 5.680 0.950 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.276 -0.640 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.736 -1.057 -7.074 1.00 0.00 H new ATOM 1749 N ILE A 108 3.991 -2.270 -4.412 1.00 0.00 N ATOM 1750 CA ILE A 108 4.248 -3.115 -3.245 1.00 0.00 C ATOM 1751 C ILE A 108 4.090 -4.582 -3.649 1.00 0.00 C ATOM 1752 O ILE A 108 3.213 -4.902 -4.449 1.00 0.00 O ATOM 1753 CB ILE A 108 3.296 -2.777 -2.072 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.245 -1.250 -1.828 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.760 -3.522 -0.812 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.542 -0.824 -0.538 1.00 0.00 C ATOM 0 H ILE A 108 3.052 -2.399 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 108 5.265 -2.929 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 108 2.286 -3.101 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.265 -0.866 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.740 -0.779 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.092 -3.287 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.744 -4.596 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.774 -3.213 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.558 0.263 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.509 -1.172 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.057 -1.259 0.318 1.00 0.00 H new ATOM 1768 N GLY A 109 4.871 -5.477 -3.051 1.00 0.00 N ATOM 1769 CA GLY A 109 4.654 -6.922 -3.057 1.00 0.00 C ATOM 1770 C GLY A 109 4.914 -7.526 -1.676 1.00 0.00 C ATOM 1771 O GLY A 109 5.873 -7.153 -0.997 1.00 0.00 O ATOM 0 H GLY A 109 5.704 -5.206 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.631 -7.137 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.312 -7.388 -3.790 1.00 0.00 H new ATOM 1775 N PHE A 110 4.063 -8.457 -1.252 1.00 0.00 N ATOM 1776 CA PHE A 110 4.265 -9.221 -0.015 1.00 0.00 C ATOM 1777 C PHE A 110 4.906 -10.582 -0.302 1.00 0.00 C ATOM 1778 O PHE A 110 4.745 -11.165 -1.381 1.00 0.00 O ATOM 1779 CB PHE A 110 2.954 -9.385 0.756 1.00 0.00 C ATOM 1780 CG PHE A 110 2.387 -8.112 1.372 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.926 -7.037 0.578 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.309 -8.013 2.774 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.406 -5.880 1.186 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.767 -6.868 3.380 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.332 -5.794 2.586 1.00 0.00 C ATOM 0 H PHE A 110 3.211 -8.706 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 110 4.952 -8.654 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.207 -9.804 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.110 -10.114 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.973 -7.104 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.669 -8.825 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.063 -5.057 0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.685 -6.813 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.941 -4.902 3.052 1.00 0.00 H new ATOM 1795 N THR A 111 5.607 -11.122 0.695 1.00 0.00 N ATOM 1796 CA THR A 111 6.278 -12.421 0.589 1.00 0.00 C ATOM 1797 C THR A 111 5.271 -13.576 0.540 1.00 0.00 C ATOM 1798 O THR A 111 5.553 -14.614 -0.059 1.00 0.00 O ATOM 1799 CB THR A 111 7.323 -12.555 1.710 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.407 -13.335 1.250 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.807 -13.199 2.998 1.00 0.00 C ATOM 0 H THR A 111 5.727 -10.671 1.602 1.00 0.00 H new ATOM 0 HA THR A 111 6.814 -12.477 -0.358 1.00 0.00 H new ATOM 0 HB THR A 111 7.610 -11.533 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.074 -13.420 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.615 -13.250 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.990 -12.601 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.448 -14.206 2.783 1.00 0.00 H new ATOM 1809 N ASP A 112 4.056 -13.367 1.066 1.00 0.00 N ATOM 1810 CA ASP A 112 2.932 -14.307 1.017 1.00 0.00 C ATOM 1811 C ASP A 112 1.689 -13.715 0.325 1.00 0.00 C ATOM 1812 O ASP A 112 1.339 -12.549 0.539 1.00 0.00 O ATOM 1813 CB ASP A 112 2.582 -14.767 2.442 1.00 0.00 C ATOM 1814 CG ASP A 112 1.862 -16.123 2.433 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.645 -16.148 2.142 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.516 -17.163 2.684 1.00 0.00 O ATOM 0 H ASP A 112 3.822 -12.504 1.556 1.00 0.00 H new ATOM 0 HA ASP A 112 3.247 -15.161 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.493 -14.841 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.949 -14.021 2.922 1.00 0.00 H new ATOM 1821 N ARG A 113 0.973 -14.540 -0.453 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.329 -14.202 -1.063 1.00 0.00 C ATOM 1823 C ARG A 113 -1.375 -13.803 -0.019 1.00 0.00 C ATOM 1824 O ARG A 113 -2.125 -12.858 -0.244 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.838 -15.406 -1.889 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.929 -15.122 -3.393 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.090 -14.188 -3.775 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.058 -13.908 -5.224 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.369 -14.745 -6.197 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.949 -14.498 -7.393 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.074 -15.826 -6.037 1.00 0.00 N ATOM 0 H ARG A 113 1.287 -15.483 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.178 -13.339 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.173 -16.254 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.822 -15.698 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.009 -14.678 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.043 -16.066 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.041 -14.648 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.017 -13.256 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.765 -12.971 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.386 -13.667 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.180 -15.134 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.426 -16.073 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.275 -16.426 -6.837 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.405 -14.489 1.123 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.317 -14.206 2.231 1.00 0.00 C ATOM 1847 C GLY A 114 -2.008 -12.887 2.938 1.00 0.00 C ATOM 1848 O GLY A 114 -2.925 -12.130 3.246 1.00 0.00 O ATOM 0 H GLY A 114 -0.782 -15.275 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.340 -14.179 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.265 -15.020 2.954 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.727 -12.558 3.133 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.331 -11.313 3.805 1.00 0.00 C ATOM 1854 C ASP A 115 -0.651 -10.065 2.961 1.00 0.00 C ATOM 1855 O ASP A 115 -1.091 -9.055 3.513 1.00 0.00 O ATOM 1856 CB ASP A 115 1.125 -11.392 4.282 1.00 0.00 C ATOM 1857 CG ASP A 115 1.286 -12.406 5.436 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.478 -12.358 6.394 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.208 -13.254 5.397 1.00 0.00 O ATOM 0 H ASP A 115 0.057 -13.138 2.834 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.940 -11.199 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.767 -11.681 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.455 -10.407 4.612 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.568 -10.164 1.628 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.102 -9.150 0.716 1.00 0.00 C ATOM 1866 C ALA A 116 -2.639 -9.149 0.638 1.00 0.00 C ATOM 1867 O ALA A 116 -3.262 -8.090 0.704 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.524 -9.383 -0.677 1.00 0.00 C ATOM 0 H ALA A 116 -0.127 -10.952 1.153 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.808 -8.177 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.916 -8.633 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.563 -9.307 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.805 -10.376 -1.026 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.291 -10.308 0.542 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.755 -10.356 0.487 1.00 0.00 C ATOM 1876 C PHE A 117 -5.402 -9.777 1.762 1.00 0.00 C ATOM 1877 O PHE A 117 -6.488 -9.203 1.698 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.198 -11.792 0.206 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.673 -11.928 -0.107 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.125 -11.799 -1.434 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.602 -12.163 0.926 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.495 -11.880 -1.720 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.970 -12.285 0.630 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.421 -12.132 -0.693 1.00 0.00 C ATOM 0 H PHE A 117 -2.835 -11.219 0.501 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.102 -9.720 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.621 -12.183 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.962 -12.411 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.416 -11.638 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.262 -12.250 1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.841 -11.748 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.676 -12.497 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.474 -12.208 -0.919 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.704 -9.823 2.900 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.109 -9.199 4.161 1.00 0.00 C ATOM 1896 C ASP A 118 -4.835 -7.684 4.177 1.00 0.00 C ATOM 1897 O ASP A 118 -5.598 -6.941 4.796 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.382 -9.882 5.326 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.790 -11.342 5.594 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -4.089 -11.986 6.413 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.799 -11.845 5.039 1.00 0.00 O ATOM 0 H ASP A 118 -3.812 -10.312 2.970 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.186 -9.329 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.310 -9.852 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.557 -9.301 6.232 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.819 -7.195 3.450 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.644 -5.762 3.175 1.00 0.00 C ATOM 1908 C PHE A 119 -4.831 -5.204 2.364 1.00 0.00 C ATOM 1909 O PHE A 119 -5.263 -4.073 2.585 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.286 -5.521 2.489 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.062 -4.120 1.947 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.337 -3.182 2.693 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.563 -3.751 0.685 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.160 -1.873 2.218 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.345 -2.456 0.180 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.658 -1.510 0.957 1.00 0.00 C ATOM 0 H PHE A 119 -3.095 -7.783 3.036 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.635 -5.213 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.494 -5.745 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.184 -6.229 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.910 -3.469 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.119 -4.468 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.640 -1.145 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.705 -2.190 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.513 -0.506 0.586 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.426 -6.026 1.492 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.716 -5.746 0.862 1.00 0.00 C ATOM 1928 C ASN A 120 -7.877 -5.830 1.873 1.00 0.00 C ATOM 1929 O ASN A 120 -8.598 -4.850 2.037 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.873 -6.647 -0.378 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.304 -7.006 -0.736 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.060 -6.222 -1.290 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.721 -8.212 -0.427 1.00 0.00 N ATOM 0 H ASN A 120 -5.018 -6.915 1.202 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.750 -4.714 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.416 -6.147 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.314 -7.568 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.676 -8.494 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.090 -8.867 0.035 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.067 -6.949 2.586 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.261 -7.160 3.435 1.00 0.00 C ATOM 1942 C VAL A 121 -9.353 -6.170 4.604 1.00 0.00 C ATOM 1943 O VAL A 121 -10.451 -5.718 4.929 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.358 -8.621 3.930 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.435 -8.847 5.001 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.707 -9.563 2.771 1.00 0.00 C ATOM 0 H VAL A 121 -7.409 -7.729 2.595 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.121 -6.962 2.796 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.378 -8.829 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.440 -9.896 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.219 -8.227 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.411 -8.579 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.771 -10.586 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.666 -9.272 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.933 -9.501 2.006 1.00 0.00 H new ATOM 1956 N SER A 122 -8.224 -5.762 5.189 1.00 0.00 N ATOM 1957 CA SER A 122 -8.188 -4.714 6.224 1.00 0.00 C ATOM 1958 C SER A 122 -8.664 -3.342 5.719 1.00 0.00 C ATOM 1959 O SER A 122 -9.153 -2.543 6.519 1.00 0.00 O ATOM 1960 CB SER A 122 -6.789 -4.595 6.840 1.00 0.00 C ATOM 1961 OG SER A 122 -5.799 -4.395 5.853 1.00 0.00 O ATOM 0 H SER A 122 -7.307 -6.146 4.962 1.00 0.00 H new ATOM 0 HA SER A 122 -8.894 -5.030 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.772 -3.765 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.562 -5.499 7.405 1.00 0.00 H new ATOM 0 HG SER A 122 -5.601 -5.247 5.411 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.607 -3.088 4.404 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.231 -1.927 3.760 1.00 0.00 C ATOM 1969 C LEU A 123 -10.656 -2.226 3.264 1.00 0.00 C ATOM 1970 O LEU A 123 -11.518 -1.358 3.369 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.338 -1.403 2.624 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.920 -1.009 3.067 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.102 -0.571 1.858 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.897 0.119 4.105 1.00 0.00 C ATOM 0 H LEU A 123 -8.117 -3.696 3.748 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.328 -1.146 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.265 -2.169 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.818 -0.536 2.170 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.491 -1.895 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.098 -0.293 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.040 -1.392 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.582 0.286 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.865 0.346 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.367 1.009 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.442 -0.195 4.995 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.959 -3.443 2.796 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.333 -3.824 2.426 1.00 0.00 C ATOM 1988 C GLN A 124 -13.286 -3.658 3.615 1.00 0.00 C ATOM 1989 O GLN A 124 -14.295 -2.976 3.488 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.421 -5.267 1.897 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.674 -5.524 0.579 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.237 -4.797 -0.644 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.317 -4.220 -0.648 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.521 -4.819 -1.746 1.00 0.00 N ATOM 0 H GLN A 124 -10.271 -4.184 2.663 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.632 -3.152 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.027 -5.941 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.471 -5.523 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.632 -5.231 0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.681 -6.596 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.619 -5.295 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.867 -4.360 -2.588 1.00 0.00 H new ATOM 2003 N ASP A 125 -12.945 -4.179 4.797 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.760 -4.020 6.014 1.00 0.00 C ATOM 2005 C ASP A 125 -13.696 -2.602 6.614 1.00 0.00 C ATOM 2006 O ASP A 125 -14.500 -2.259 7.480 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.308 -5.053 7.052 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.289 -5.199 8.225 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -13.877 -5.020 9.396 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.469 -5.543 7.976 1.00 0.00 O ATOM 0 H ASP A 125 -12.095 -4.725 4.942 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.801 -4.182 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.188 -6.020 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.330 -4.767 7.438 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.773 -1.757 6.141 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.733 -0.330 6.482 1.00 0.00 C ATOM 2017 C HIS A 126 -13.678 0.493 5.594 1.00 0.00 C ATOM 2018 O HIS A 126 -14.310 1.426 6.080 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.293 0.197 6.431 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.204 1.668 6.750 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.851 2.666 5.841 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.556 2.249 7.933 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.015 3.829 6.490 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.445 3.607 7.741 1.00 0.00 N ATOM 0 H HIS A 126 -12.028 -2.046 5.507 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.092 -0.217 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.680 -0.362 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.879 0.018 5.439 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.533 2.538 4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.861 1.745 8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.828 4.804 6.066 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.655 4.325 8.434 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.847 0.111 4.323 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.764 0.771 3.387 1.00 0.00 C ATOM 2034 C PHE A 127 -16.136 0.080 3.226 1.00 0.00 C ATOM 2035 O PHE A 127 -17.042 0.683 2.649 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.038 1.060 2.062 1.00 0.00 C ATOM 2037 CG PHE A 127 -12.987 2.151 2.208 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.623 1.828 2.343 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.387 3.499 2.294 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.669 2.834 2.572 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.440 4.501 2.570 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.082 4.169 2.705 1.00 0.00 C ATOM 0 H PHE A 127 -13.344 -0.675 3.911 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.045 1.727 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.564 0.147 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.767 1.358 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.307 0.798 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.424 3.764 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.622 2.581 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.757 5.528 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.355 4.941 2.911 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.359 -1.122 3.788 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.650 -1.848 3.703 1.00 0.00 C ATOM 2054 C LYS A 128 -18.817 -1.119 4.377 1.00 0.00 C ATOM 2055 O LYS A 128 -19.967 -1.287 3.971 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.509 -3.312 4.178 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.398 -3.547 5.694 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.760 -3.776 6.356 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.709 -3.817 7.886 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.138 -5.086 8.406 1.00 0.00 N ATOM 0 H LYS A 128 -15.647 -1.624 4.318 1.00 0.00 H new ATOM 0 HA LYS A 128 -17.913 -1.872 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.369 -3.872 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.625 -3.738 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.759 -4.411 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.913 -2.687 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.441 -2.983 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.177 -4.715 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.113 -2.980 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.716 -3.687 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.325 -5.159 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.577 -5.891 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.111 -5.098 8.241 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.521 -0.308 5.396 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.485 0.522 6.137 1.00 0.00 C ATOM 2076 C TRP A 129 -19.502 1.997 5.670 1.00 0.00 C ATOM 2077 O TRP A 129 -20.212 2.834 6.231 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.221 0.332 7.639 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.823 0.623 8.100 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.817 -0.276 8.232 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.248 1.915 8.464 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.679 0.369 8.665 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.876 1.727 8.806 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.748 3.234 8.517 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.038 2.797 9.159 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.916 4.317 8.862 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.561 4.103 9.170 1.00 0.00 C ATOM 0 H TRP A 129 -17.568 -0.205 5.744 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.501 0.191 5.923 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.907 0.973 8.193 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.463 -0.697 7.904 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.895 -1.334 8.029 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.795 -0.102 8.858 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.788 3.416 8.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.005 2.620 9.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.321 5.318 8.890 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.923 4.939 9.415 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.742 2.303 4.615 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.566 3.612 3.954 1.00 0.00 C ATOM 2100 C VAL A 130 -19.233 3.548 2.558 1.00 0.00 C ATOM 2101 O VAL A 130 -19.805 2.524 2.173 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.043 3.920 3.893 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -16.653 5.301 3.351 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.403 3.861 5.290 1.00 0.00 C ATOM 0 H VAL A 130 -18.183 1.583 4.157 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.044 4.424 4.503 1.00 0.00 H new ATOM 0 HB VAL A 130 -16.686 3.153 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -15.568 5.401 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -17.023 5.409 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -17.091 6.076 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.338 4.081 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.879 4.596 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.538 2.864 5.710 1.00 0.00 H new