USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 548 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 Single : A 9 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.023) USER MOD Single : A 25 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.0523 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.01) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.36! K(o=-1.4!,f=0.16) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0628) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.841 K(o=-0.84,f=-4.5!) USER MOD Single : A 60 GLN : amide:sc= 0.132 X(o=0.13,f=-0.054) USER MOD Single : A 61 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 5:sc= 0.587 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.546 K(o=-0.55,f=-1.4) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.354 13.712 -9.404 1.00 0.00 N ATOM 135 CA GLN A 9 0.617 12.287 -9.415 1.00 0.00 C ATOM 136 C GLN A 9 2.118 12.033 -9.505 1.00 0.00 C ATOM 137 O GLN A 9 2.723 12.216 -10.562 1.00 0.00 O ATOM 138 CB GLN A 9 -0.098 11.613 -10.596 1.00 0.00 C ATOM 139 CG GLN A 9 -1.617 11.689 -10.531 1.00 0.00 C ATOM 140 CD GLN A 9 -2.296 11.096 -11.751 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.378 11.535 -12.142 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.678 10.096 -12.359 1.00 0.00 N ATOM 0 HA GLN A 9 0.236 11.860 -8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.239 12.077 -11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.201 10.566 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.963 11.165 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.918 12.731 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.782 9.760 -12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.097 9.662 -13.181 1.00 0.00 H new ATOM 151 N ASP A 10 2.718 11.644 -8.390 1.00 0.00 N ATOM 152 CA ASP A 10 4.127 11.272 -8.374 1.00 0.00 C ATOM 153 C ASP A 10 4.273 9.853 -8.893 1.00 0.00 C ATOM 154 O ASP A 10 3.325 9.068 -8.830 1.00 0.00 O ATOM 155 CB ASP A 10 4.718 11.357 -6.963 1.00 0.00 C ATOM 156 CG ASP A 10 4.829 12.773 -6.442 1.00 0.00 C ATOM 157 OD1 ASP A 10 5.751 13.501 -6.868 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.011 13.157 -5.580 1.00 0.00 O ATOM 0 H ASP A 10 2.253 11.577 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 10 4.670 11.971 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.098 10.775 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.707 10.899 -6.963 1.00 0.00 H new ATOM 163 N ASN A 11 5.451 9.519 -9.394 1.00 0.00 N ATOM 164 CA ASN A 11 5.698 8.179 -9.900 1.00 0.00 C ATOM 165 C ASN A 11 6.585 7.410 -8.929 1.00 0.00 C ATOM 166 O ASN A 11 7.605 7.917 -8.452 1.00 0.00 O ATOM 167 CB ASN A 11 6.319 8.223 -11.306 1.00 0.00 C ATOM 168 CG ASN A 11 7.726 8.794 -11.330 1.00 0.00 C ATOM 169 OD1 ASN A 11 7.916 10.007 -11.351 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.719 7.919 -11.363 1.00 0.00 N ATOM 0 H ASN A 11 6.247 10.153 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 11 4.744 7.658 -9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.338 7.214 -11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.682 8.821 -11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.685 8.245 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.518 6.919 -11.344 1.00 0.00 H new ATOM 177 N PHE A 12 6.169 6.197 -8.619 1.00 0.00 N ATOM 178 CA PHE A 12 6.856 5.377 -7.638 1.00 0.00 C ATOM 179 C PHE A 12 7.405 4.123 -8.294 1.00 0.00 C ATOM 180 O PHE A 12 6.733 3.499 -9.120 1.00 0.00 O ATOM 181 CB PHE A 12 5.897 4.980 -6.510 1.00 0.00 C ATOM 182 CG PHE A 12 5.293 6.142 -5.771 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.183 6.801 -6.275 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.829 6.566 -4.567 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.623 7.863 -5.594 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.273 7.628 -3.880 1.00 0.00 C ATOM 187 CZ PHE A 12 4.167 8.278 -4.394 1.00 0.00 C ATOM 0 H PHE A 12 5.351 5.754 -9.037 1.00 0.00 H new ATOM 0 HA PHE A 12 7.679 5.958 -7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.094 4.374 -6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.432 4.351 -5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.751 6.480 -7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.692 6.061 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.760 8.369 -5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.702 7.950 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.729 9.108 -3.859 1.00 0.00 H new ATOM 197 N VAL A 13 8.624 3.764 -7.941 1.00 0.00 N ATOM 198 CA VAL A 13 9.203 2.519 -8.412 1.00 0.00 C ATOM 199 C VAL A 13 8.907 1.412 -7.409 1.00 0.00 C ATOM 200 O VAL A 13 9.398 1.426 -6.279 1.00 0.00 O ATOM 201 CB VAL A 13 10.724 2.640 -8.662 1.00 0.00 C ATOM 202 CG1 VAL A 13 10.992 3.433 -9.931 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.416 3.298 -7.481 1.00 0.00 C ATOM 0 H VAL A 13 9.231 4.313 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 13 8.747 2.275 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 13 11.127 1.635 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.067 3.509 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.532 2.927 -10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.569 4.432 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.485 3.372 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.005 4.296 -7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.255 2.699 -6.585 1.00 0.00 H new ATOM 213 N VAL A 14 8.063 0.481 -7.815 1.00 0.00 N ATOM 214 CA VAL A 14 7.607 -0.570 -6.924 1.00 0.00 C ATOM 215 C VAL A 14 8.416 -1.844 -7.121 1.00 0.00 C ATOM 216 O VAL A 14 8.428 -2.430 -8.206 1.00 0.00 O ATOM 217 CB VAL A 14 6.107 -0.864 -7.139 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.664 -2.071 -6.331 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.273 0.351 -6.769 1.00 0.00 C ATOM 0 H VAL A 14 7.679 0.431 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 14 7.753 -0.219 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 14 5.956 -1.089 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.603 -2.254 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.238 -2.945 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.833 -1.881 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.217 0.129 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.440 0.601 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.563 1.195 -7.394 1.00 0.00 H new ATOM 229 N LEU A 15 9.094 -2.265 -6.065 1.00 0.00 N ATOM 230 CA LEU A 15 9.885 -3.479 -6.109 1.00 0.00 C ATOM 231 C LEU A 15 9.207 -4.576 -5.301 1.00 0.00 C ATOM 232 O LEU A 15 9.243 -4.573 -4.069 1.00 0.00 O ATOM 233 CB LEU A 15 11.298 -3.221 -5.575 1.00 0.00 C ATOM 234 CG LEU A 15 12.070 -2.098 -6.280 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.432 -1.899 -5.632 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.227 -2.401 -7.764 1.00 0.00 C ATOM 0 H LEU A 15 9.111 -1.781 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 15 9.964 -3.804 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.230 -2.982 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.874 -4.143 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 15 11.499 -1.175 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.966 -1.099 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.301 -1.633 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.007 -2.822 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.777 -1.592 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.774 -3.336 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.243 -2.493 -8.223 1.00 0.00 H new ATOM 248 N GLU A 16 8.560 -5.499 -5.997 1.00 0.00 N ATOM 249 CA GLU A 16 7.914 -6.622 -5.342 1.00 0.00 C ATOM 250 C GLU A 16 8.852 -7.811 -5.270 1.00 0.00 C ATOM 251 O GLU A 16 9.600 -8.082 -6.210 1.00 0.00 O ATOM 252 CB GLU A 16 6.628 -7.029 -6.065 1.00 0.00 C ATOM 253 CG GLU A 16 5.502 -6.027 -5.911 1.00 0.00 C ATOM 254 CD GLU A 16 4.141 -6.653 -6.125 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.818 -7.628 -5.413 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.380 -6.168 -6.994 1.00 0.00 O ATOM 0 H GLU A 16 8.470 -5.491 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 16 7.657 -6.303 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.843 -7.161 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.298 -7.996 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.544 -5.587 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.642 -5.215 -6.624 1.00 0.00 H new ATOM 354 N PHE A 23 7.803 1.464 -12.938 1.00 0.00 N ATOM 355 CA PHE A 23 7.411 2.635 -12.182 1.00 0.00 C ATOM 356 C PHE A 23 5.964 2.972 -12.523 1.00 0.00 C ATOM 357 O PHE A 23 5.573 2.953 -13.692 1.00 0.00 O ATOM 358 CB PHE A 23 8.340 3.829 -12.474 1.00 0.00 C ATOM 359 CG PHE A 23 8.200 4.409 -13.856 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.729 3.756 -14.957 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.543 5.614 -14.049 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.604 4.293 -16.223 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.415 6.154 -15.312 1.00 0.00 C ATOM 364 CZ PHE A 23 7.945 5.493 -16.401 1.00 0.00 C ATOM 0 HA PHE A 23 7.497 2.422 -11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.142 4.613 -11.743 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.373 3.512 -12.330 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.245 2.817 -14.824 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.126 6.136 -13.201 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.022 3.775 -17.073 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.900 7.094 -15.448 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.845 5.914 -17.391 1.00 0.00 H new ATOM 374 N LEU A 24 5.162 3.233 -11.512 1.00 0.00 N ATOM 375 CA LEU A 24 3.760 3.548 -11.724 1.00 0.00 C ATOM 376 C LEU A 24 3.382 4.784 -10.933 1.00 0.00 C ATOM 377 O LEU A 24 4.048 5.136 -9.957 1.00 0.00 O ATOM 378 CB LEU A 24 2.841 2.367 -11.360 1.00 0.00 C ATOM 379 CG LEU A 24 3.079 1.713 -9.992 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.830 0.973 -9.540 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.252 0.744 -10.058 1.00 0.00 C ATOM 0 H LEU A 24 5.454 3.234 -10.535 1.00 0.00 H new ATOM 0 HA LEU A 24 3.620 3.746 -12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.808 2.714 -11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.949 1.601 -12.128 1.00 0.00 H new ATOM 0 HG LEU A 24 3.312 2.499 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.011 0.513 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.000 1.675 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.582 0.199 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.405 0.291 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.039 -0.036 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.153 1.282 -10.353 1.00 0.00 H new ATOM 393 N THR A 25 2.329 5.449 -11.362 1.00 0.00 N ATOM 394 CA THR A 25 1.935 6.704 -10.763 1.00 0.00 C ATOM 395 C THR A 25 1.117 6.475 -9.489 1.00 0.00 C ATOM 396 O THR A 25 0.731 5.345 -9.182 1.00 0.00 O ATOM 397 CB THR A 25 1.141 7.552 -11.769 1.00 0.00 C ATOM 398 OG1 THR A 25 1.282 7.001 -13.087 1.00 0.00 O ATOM 399 CG2 THR A 25 1.650 8.982 -11.775 1.00 0.00 C ATOM 0 H THR A 25 1.730 5.138 -12.127 1.00 0.00 H new ATOM 0 HA THR A 25 2.840 7.246 -10.487 1.00 0.00 H new ATOM 0 HB THR A 25 0.092 7.545 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.434 6.596 -13.365 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.077 9.569 -12.493 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.536 9.413 -10.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.703 8.992 -12.056 1.00 0.00 H new ATOM 407 N THR A 26 0.866 7.555 -8.753 1.00 0.00 N ATOM 408 CA THR A 26 0.201 7.489 -7.453 1.00 0.00 C ATOM 409 C THR A 26 -1.132 6.736 -7.507 1.00 0.00 C ATOM 410 O THR A 26 -1.428 5.931 -6.627 1.00 0.00 O ATOM 411 CB THR A 26 -0.048 8.905 -6.902 1.00 0.00 C ATOM 412 OG1 THR A 26 1.141 9.690 -7.049 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.452 8.863 -5.434 1.00 0.00 C ATOM 0 H THR A 26 1.118 8.501 -9.040 1.00 0.00 H new ATOM 0 HA THR A 26 0.872 6.938 -6.794 1.00 0.00 H new ATOM 0 HB THR A 26 -0.865 9.354 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.182 10.358 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.621 9.878 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.368 8.282 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.343 8.399 -4.851 1.00 0.00 H new ATOM 421 N ILE A 27 -1.920 6.990 -8.545 1.00 0.00 N ATOM 422 CA ILE A 27 -3.249 6.399 -8.653 1.00 0.00 C ATOM 423 C ILE A 27 -3.161 4.887 -8.833 1.00 0.00 C ATOM 424 O ILE A 27 -3.845 4.126 -8.147 1.00 0.00 O ATOM 425 CB ILE A 27 -4.042 7.015 -9.827 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.125 8.538 -9.675 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.439 6.410 -9.912 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.780 8.993 -8.387 1.00 0.00 C ATOM 0 H ILE A 27 -1.663 7.599 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.776 6.616 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.515 6.787 -10.753 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.119 8.953 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.681 8.947 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.980 6.858 -10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.361 5.334 -10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.977 6.605 -8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.801 10.082 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.799 8.609 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.212 8.615 -7.537 1.00 0.00 H new ATOM 440 N GLU A 28 -2.306 4.457 -9.748 1.00 0.00 N ATOM 441 CA GLU A 28 -2.111 3.040 -10.009 1.00 0.00 C ATOM 442 C GLU A 28 -1.518 2.342 -8.788 1.00 0.00 C ATOM 443 O GLU A 28 -1.860 1.194 -8.491 1.00 0.00 O ATOM 444 CB GLU A 28 -1.206 2.837 -11.224 1.00 0.00 C ATOM 445 CG GLU A 28 -1.711 3.528 -12.481 1.00 0.00 C ATOM 446 CD GLU A 28 -1.139 4.920 -12.659 1.00 0.00 C ATOM 447 OE1 GLU A 28 -1.392 5.798 -11.808 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.416 5.135 -13.652 1.00 0.00 O ATOM 0 H GLU A 28 -1.733 5.073 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.084 2.598 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.209 3.210 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.109 1.769 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.456 2.922 -13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.799 3.590 -12.444 1.00 0.00 H new ATOM 455 N LEU A 29 -0.633 3.041 -8.082 1.00 0.00 N ATOM 456 CA LEU A 29 -0.046 2.515 -6.857 1.00 0.00 C ATOM 457 C LEU A 29 -1.123 2.334 -5.797 1.00 0.00 C ATOM 458 O LEU A 29 -1.156 1.320 -5.101 1.00 0.00 O ATOM 459 CB LEU A 29 1.057 3.439 -6.333 1.00 0.00 C ATOM 460 CG LEU A 29 1.695 2.999 -5.012 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.362 1.641 -5.162 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.699 4.034 -4.535 1.00 0.00 C ATOM 0 H LEU A 29 -0.308 3.973 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 29 0.401 1.547 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.838 3.513 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.642 4.439 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 29 0.906 2.912 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.809 1.348 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.618 0.901 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.138 1.699 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.142 3.705 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.482 4.153 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.194 4.988 -4.383 1.00 0.00 H new ATOM 474 N LEU A 30 -2.004 3.323 -5.688 1.00 0.00 N ATOM 475 CA LEU A 30 -3.138 3.246 -4.779 1.00 0.00 C ATOM 476 C LEU A 30 -3.948 1.985 -5.047 1.00 0.00 C ATOM 477 O LEU A 30 -4.202 1.196 -4.140 1.00 0.00 O ATOM 478 CB LEU A 30 -4.037 4.473 -4.935 1.00 0.00 C ATOM 479 CG LEU A 30 -4.033 5.447 -3.757 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.992 6.595 -4.023 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.419 4.726 -2.474 1.00 0.00 C ATOM 0 H LEU A 30 -1.952 4.191 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.753 3.215 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.732 5.013 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.060 4.134 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.027 5.850 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.981 7.282 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.684 7.124 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.000 6.203 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.412 5.432 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.417 4.302 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.705 3.927 -2.277 1.00 0.00 H new ATOM 493 N GLU A 31 -4.329 1.796 -6.304 1.00 0.00 N ATOM 494 CA GLU A 31 -5.136 0.651 -6.701 1.00 0.00 C ATOM 495 C GLU A 31 -4.419 -0.668 -6.415 1.00 0.00 C ATOM 496 O GLU A 31 -5.051 -1.644 -6.008 1.00 0.00 O ATOM 497 CB GLU A 31 -5.512 0.758 -8.177 1.00 0.00 C ATOM 498 CG GLU A 31 -6.435 1.931 -8.471 1.00 0.00 C ATOM 499 CD GLU A 31 -6.887 1.976 -9.913 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.200 0.905 -10.471 1.00 0.00 O ATOM 501 OE2 GLU A 31 -6.920 3.077 -10.501 1.00 0.00 O ATOM 0 H GLU A 31 -4.090 2.426 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.049 0.659 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.604 0.859 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.997 -0.166 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.309 1.870 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.922 2.861 -8.227 1.00 0.00 H new ATOM 508 N LYS A 32 -3.104 -0.694 -6.617 1.00 0.00 N ATOM 509 CA LYS A 32 -2.308 -1.870 -6.272 1.00 0.00 C ATOM 510 C LYS A 32 -2.364 -2.118 -4.768 1.00 0.00 C ATOM 511 O LYS A 32 -2.678 -3.220 -4.323 1.00 0.00 O ATOM 512 CB LYS A 32 -0.847 -1.706 -6.717 1.00 0.00 C ATOM 513 CG LYS A 32 0.075 -2.790 -6.165 1.00 0.00 C ATOM 514 CD LYS A 32 1.527 -2.583 -6.576 1.00 0.00 C ATOM 515 CE LYS A 32 1.777 -2.968 -8.025 1.00 0.00 C ATOM 516 NZ LYS A 32 1.645 -4.434 -8.260 1.00 0.00 N ATOM 0 H LYS A 32 -2.570 0.079 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.731 -2.726 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.802 -1.720 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.483 -0.730 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.006 -2.802 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.264 -3.765 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.799 -1.538 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.174 -3.175 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.073 -2.436 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.777 -2.646 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.034 -4.672 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.168 -4.952 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.641 -4.702 -8.225 1.00 0.00 H new ATOM 530 N LEU A 33 -2.081 -1.075 -3.995 1.00 0.00 N ATOM 531 CA LEU A 33 -2.062 -1.178 -2.542 1.00 0.00 C ATOM 532 C LEU A 33 -3.426 -1.572 -1.992 1.00 0.00 C ATOM 533 O LEU A 33 -3.506 -2.347 -1.053 1.00 0.00 O ATOM 534 CB LEU A 33 -1.603 0.139 -1.914 1.00 0.00 C ATOM 535 CG LEU A 33 -0.109 0.426 -2.043 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.213 1.806 -1.505 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.695 -0.629 -1.302 1.00 0.00 C ATOM 0 H LEU A 33 -1.861 -0.146 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.352 -1.962 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.156 0.957 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.867 0.132 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 33 0.161 0.394 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.282 1.995 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.342 2.555 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.069 1.862 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.759 -0.413 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.421 -0.621 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.483 -1.611 -1.725 1.00 0.00 H new ATOM 549 N LYS A 34 -4.490 -1.043 -2.580 1.00 0.00 N ATOM 550 CA LYS A 34 -5.846 -1.375 -2.153 1.00 0.00 C ATOM 551 C LYS A 34 -6.115 -2.874 -2.298 1.00 0.00 C ATOM 552 O LYS A 34 -6.738 -3.487 -1.432 1.00 0.00 O ATOM 553 CB LYS A 34 -6.867 -0.556 -2.954 1.00 0.00 C ATOM 554 CG LYS A 34 -6.844 0.929 -2.613 1.00 0.00 C ATOM 555 CD LYS A 34 -7.531 1.774 -3.676 1.00 0.00 C ATOM 556 CE LYS A 34 -8.989 1.389 -3.847 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.665 2.219 -4.877 1.00 0.00 N ATOM 0 H LYS A 34 -4.442 -0.381 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.948 -1.121 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.669 -0.681 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.866 -0.950 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.335 1.087 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.811 1.258 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.463 2.827 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.010 1.656 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.056 0.338 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.507 1.499 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.659 1.924 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.624 3.220 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.187 2.095 -5.792 1.00 0.00 H new ATOM 571 N GLY A 35 -5.611 -3.465 -3.377 1.00 0.00 N ATOM 572 CA GLY A 35 -5.781 -4.891 -3.592 1.00 0.00 C ATOM 573 C GLY A 35 -4.835 -5.710 -2.735 1.00 0.00 C ATOM 574 O GLY A 35 -5.220 -6.729 -2.149 1.00 0.00 O ATOM 0 H GLY A 35 -5.088 -2.982 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.810 -5.172 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.610 -5.122 -4.643 1.00 0.00 H new ATOM 578 N GLU A 36 -3.595 -5.257 -2.653 1.00 0.00 N ATOM 579 CA GLU A 36 -2.582 -5.923 -1.847 1.00 0.00 C ATOM 580 C GLU A 36 -2.898 -5.807 -0.360 1.00 0.00 C ATOM 581 O GLU A 36 -2.419 -6.597 0.447 1.00 0.00 O ATOM 582 CB GLU A 36 -1.198 -5.341 -2.146 1.00 0.00 C ATOM 583 CG GLU A 36 -0.373 -6.182 -3.112 1.00 0.00 C ATOM 584 CD GLU A 36 -1.080 -6.469 -4.425 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.926 -7.386 -4.464 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.768 -5.803 -5.432 1.00 0.00 O ATOM 0 H GLU A 36 -3.263 -4.424 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.583 -6.981 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.317 -4.340 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.649 -5.235 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.565 -5.667 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.119 -7.127 -2.632 1.00 0.00 H new ATOM 593 N LEU A 37 -3.712 -4.824 -0.008 1.00 0.00 N ATOM 594 CA LEU A 37 -4.109 -4.609 1.376 1.00 0.00 C ATOM 595 C LEU A 37 -5.320 -5.466 1.738 1.00 0.00 C ATOM 596 O LEU A 37 -5.397 -6.003 2.842 1.00 0.00 O ATOM 597 CB LEU A 37 -4.421 -3.127 1.602 1.00 0.00 C ATOM 598 CG LEU A 37 -4.877 -2.742 3.009 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.852 -3.157 4.048 1.00 0.00 C ATOM 600 CD2 LEU A 37 -5.123 -1.246 3.084 1.00 0.00 C ATOM 0 H LEU A 37 -4.114 -4.157 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.282 -4.905 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.530 -2.548 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.196 -2.828 0.896 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.807 -3.269 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.203 -2.871 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.713 -4.237 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.903 -2.661 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.448 -0.981 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.202 -0.713 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.897 -0.968 2.368 1.00 0.00 H new ATOM 612 N GLU A 38 -6.261 -5.607 0.809 1.00 0.00 N ATOM 613 CA GLU A 38 -7.474 -6.370 1.082 1.00 0.00 C ATOM 614 C GLU A 38 -7.178 -7.864 1.191 1.00 0.00 C ATOM 615 O GLU A 38 -7.894 -8.590 1.881 1.00 0.00 O ATOM 616 CB GLU A 38 -8.551 -6.122 0.017 1.00 0.00 C ATOM 617 CG GLU A 38 -8.138 -6.509 -1.393 1.00 0.00 C ATOM 618 CD GLU A 38 -9.310 -6.563 -2.352 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.146 -5.636 -2.336 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.398 -7.536 -3.131 1.00 0.00 O ATOM 0 H GLU A 38 -6.209 -5.208 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.857 -6.022 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.447 -6.681 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.819 -5.065 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.405 -5.792 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.648 -7.482 -1.369 1.00 0.00 H new ATOM 627 N LYS A 39 -6.124 -8.328 0.519 1.00 0.00 N ATOM 628 CA LYS A 39 -5.749 -9.737 0.612 1.00 0.00 C ATOM 629 C LYS A 39 -5.085 -10.038 1.957 1.00 0.00 C ATOM 630 O LYS A 39 -4.899 -11.200 2.321 1.00 0.00 O ATOM 631 CB LYS A 39 -4.832 -10.157 -0.544 1.00 0.00 C ATOM 632 CG LYS A 39 -3.475 -9.474 -0.556 1.00 0.00 C ATOM 633 CD LYS A 39 -2.585 -10.047 -1.647 1.00 0.00 C ATOM 634 CE LYS A 39 -1.237 -9.345 -1.712 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.379 -9.896 -2.797 1.00 0.00 N ATOM 0 H LYS A 39 -5.526 -7.762 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.666 -10.321 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.681 -11.235 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.338 -9.947 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.605 -8.403 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.993 -9.598 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.431 -11.111 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.088 -9.956 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.390 -8.278 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.726 -9.450 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.531 -9.392 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.212 -10.908 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.856 -9.773 -3.713 1.00 0.00 H new ATOM 649 N ILE A 40 -4.728 -8.989 2.687 1.00 0.00 N ATOM 650 CA ILE A 40 -4.188 -9.136 4.031 1.00 0.00 C ATOM 651 C ILE A 40 -5.318 -8.998 5.047 1.00 0.00 C ATOM 652 O ILE A 40 -6.199 -8.147 4.893 1.00 0.00 O ATOM 653 CB ILE A 40 -3.057 -8.103 4.312 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.688 -8.657 3.891 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.019 -7.686 5.779 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.534 -8.884 2.401 1.00 0.00 C ATOM 0 H ILE A 40 -4.804 -8.023 2.368 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.742 -10.126 4.120 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.281 -7.219 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.913 -7.966 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.517 -9.601 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.216 -6.965 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.971 -7.232 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.842 -8.563 6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.538 -9.276 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.283 -9.600 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.670 -7.940 1.873 1.00 0.00 H new ATOM 668 N SER A 41 -5.306 -9.853 6.064 1.00 0.00 N ATOM 669 CA SER A 41 -6.362 -9.865 7.070 1.00 0.00 C ATOM 670 C SER A 41 -6.418 -8.536 7.828 1.00 0.00 C ATOM 671 O SER A 41 -5.390 -7.906 8.068 1.00 0.00 O ATOM 672 CB SER A 41 -6.144 -11.028 8.034 1.00 0.00 C ATOM 673 OG SER A 41 -6.082 -12.261 7.328 1.00 0.00 O ATOM 0 H SER A 41 -4.575 -10.548 6.214 1.00 0.00 H new ATOM 0 HA SER A 41 -7.319 -9.997 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.220 -10.876 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.955 -11.060 8.762 1.00 0.00 H new ATOM 0 HG SER A 41 -5.940 -12.994 7.962 1.00 0.00 H new ATOM 679 N PHE A 42 -7.621 -8.129 8.211 1.00 0.00 N ATOM 680 CA PHE A 42 -7.839 -6.830 8.843 1.00 0.00 C ATOM 681 C PHE A 42 -7.098 -6.719 10.175 1.00 0.00 C ATOM 682 O PHE A 42 -6.586 -5.659 10.522 1.00 0.00 O ATOM 683 CB PHE A 42 -9.338 -6.590 9.042 1.00 0.00 C ATOM 684 CG PHE A 42 -9.678 -5.183 9.443 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.578 -4.147 8.529 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.093 -4.896 10.734 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.887 -2.851 8.892 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.403 -3.602 11.102 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.299 -2.576 10.181 1.00 0.00 C ATOM 0 H PHE A 42 -8.469 -8.684 8.095 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.438 -6.063 8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.861 -6.831 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.708 -7.275 9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.254 -4.355 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.175 -5.692 11.459 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.807 -2.053 8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.727 -3.391 12.110 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.539 -1.563 10.469 1.00 0.00 H new ATOM 699 N SER A 43 -7.033 -7.815 10.917 1.00 0.00 N ATOM 700 CA SER A 43 -6.304 -7.828 12.184 1.00 0.00 C ATOM 701 C SER A 43 -4.798 -7.932 11.939 1.00 0.00 C ATOM 702 O SER A 43 -3.991 -7.733 12.848 1.00 0.00 O ATOM 703 CB SER A 43 -6.767 -9.001 13.049 1.00 0.00 C ATOM 704 OG SER A 43 -8.176 -9.007 13.204 1.00 0.00 O ATOM 0 H SER A 43 -7.471 -8.702 10.669 1.00 0.00 H new ATOM 0 HA SER A 43 -6.511 -6.894 12.706 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.446 -9.938 12.595 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.292 -8.942 14.028 1.00 0.00 H new ATOM 0 HG SER A 43 -8.441 -9.769 13.760 1.00 0.00 H new ATOM 710 N ASP A 44 -4.431 -8.231 10.700 1.00 0.00 N ATOM 711 CA ASP A 44 -3.038 -8.475 10.347 1.00 0.00 C ATOM 712 C ASP A 44 -2.392 -7.212 9.786 1.00 0.00 C ATOM 713 O ASP A 44 -1.167 -7.085 9.770 1.00 0.00 O ATOM 714 CB ASP A 44 -2.952 -9.624 9.339 1.00 0.00 C ATOM 715 CG ASP A 44 -1.527 -9.997 8.986 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.726 -10.243 9.910 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.210 -10.073 7.780 1.00 0.00 O ATOM 0 H ASP A 44 -5.082 -8.311 9.919 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.491 -8.756 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.460 -10.498 9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.484 -9.343 8.430 1.00 0.00 H new ATOM 722 N LEU A 45 -3.215 -6.274 9.344 1.00 0.00 N ATOM 723 CA LEU A 45 -2.712 -5.009 8.831 1.00 0.00 C ATOM 724 C LEU A 45 -2.504 -4.011 9.976 1.00 0.00 C ATOM 725 O LEU A 45 -3.095 -4.160 11.047 1.00 0.00 O ATOM 726 CB LEU A 45 -3.651 -4.452 7.744 1.00 0.00 C ATOM 727 CG LEU A 45 -5.136 -4.350 8.112 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.419 -3.094 8.920 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.994 -4.384 6.856 1.00 0.00 C ATOM 0 H LEU A 45 -4.231 -6.364 9.330 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.742 -5.178 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.299 -3.459 7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.561 -5.082 6.859 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.390 -5.209 8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.480 -3.051 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.834 -3.114 9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.146 -2.216 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.046 -4.311 7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.729 -3.546 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.823 -5.320 6.324 1.00 0.00 H new ATOM 741 N PRO A 46 -1.627 -3.009 9.771 1.00 0.00 N ATOM 742 CA PRO A 46 -1.302 -1.994 10.789 1.00 0.00 C ATOM 743 C PRO A 46 -2.531 -1.362 11.441 1.00 0.00 C ATOM 744 O PRO A 46 -3.539 -1.100 10.779 1.00 0.00 O ATOM 745 CB PRO A 46 -0.532 -0.941 9.992 1.00 0.00 C ATOM 746 CG PRO A 46 0.105 -1.701 8.885 1.00 0.00 C ATOM 747 CD PRO A 46 -0.859 -2.797 8.527 1.00 0.00 C ATOM 0 HA PRO A 46 -0.750 -2.432 11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.198 -0.167 9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.214 -0.442 10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.297 -1.055 8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.065 -2.112 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.508 -2.506 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.338 -3.703 8.219 1.00 0.00 H new ATOM 755 N LEU A 47 -2.425 -1.094 12.740 1.00 0.00 N ATOM 756 CA LEU A 47 -3.518 -0.510 13.511 1.00 0.00 C ATOM 757 C LEU A 47 -3.909 0.860 12.963 1.00 0.00 C ATOM 758 O LEU A 47 -5.071 1.259 13.042 1.00 0.00 O ATOM 759 CB LEU A 47 -3.125 -0.389 14.986 1.00 0.00 C ATOM 760 CG LEU A 47 -4.200 0.201 15.901 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.403 -0.727 15.987 1.00 0.00 C ATOM 762 CD2 LEU A 47 -3.632 0.464 17.284 1.00 0.00 C ATOM 0 H LEU A 47 -1.582 -1.275 13.286 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.379 -1.172 13.424 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.858 -1.379 15.357 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.230 0.230 15.057 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.530 1.149 15.475 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.155 -0.288 16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.826 -0.867 14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.091 -1.691 16.388 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.409 0.884 17.923 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.274 -0.471 17.714 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.804 1.169 17.209 1.00 0.00 H new ATOM 774 N GLU A 48 -2.935 1.575 12.405 1.00 0.00 N ATOM 775 CA GLU A 48 -3.194 2.873 11.783 1.00 0.00 C ATOM 776 C GLU A 48 -4.249 2.745 10.690 1.00 0.00 C ATOM 777 O GLU A 48 -5.117 3.607 10.539 1.00 0.00 O ATOM 778 CB GLU A 48 -1.907 3.456 11.190 1.00 0.00 C ATOM 779 CG GLU A 48 -0.825 3.732 12.221 1.00 0.00 C ATOM 780 CD GLU A 48 -1.287 4.673 13.313 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.257 5.904 13.099 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.685 4.186 14.390 1.00 0.00 O ATOM 0 H GLU A 48 -1.960 1.279 12.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.564 3.546 12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.516 2.764 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.146 4.384 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.506 2.791 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.046 4.159 11.723 1.00 0.00 H new ATOM 789 N LEU A 49 -4.188 1.647 9.953 1.00 0.00 N ATOM 790 CA LEU A 49 -5.121 1.408 8.864 1.00 0.00 C ATOM 791 C LEU A 49 -6.490 1.031 9.414 1.00 0.00 C ATOM 792 O LEU A 49 -7.511 1.268 8.777 1.00 0.00 O ATOM 793 CB LEU A 49 -4.599 0.304 7.946 1.00 0.00 C ATOM 794 CG LEU A 49 -3.179 0.512 7.418 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.815 -0.585 6.434 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.039 1.880 6.768 1.00 0.00 C ATOM 0 H LEU A 49 -3.501 0.906 10.090 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.217 2.326 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.633 -0.642 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.275 0.210 7.096 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.490 0.465 8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.801 -0.423 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.870 -1.553 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.511 -0.568 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.021 2.005 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.738 1.961 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.258 2.656 7.502 1.00 0.00 H new ATOM 808 N GLN A 50 -6.501 0.453 10.609 1.00 0.00 N ATOM 809 CA GLN A 50 -7.747 0.108 11.282 1.00 0.00 C ATOM 810 C GLN A 50 -8.425 1.363 11.817 1.00 0.00 C ATOM 811 O GLN A 50 -9.650 1.411 11.951 1.00 0.00 O ATOM 812 CB GLN A 50 -7.495 -0.889 12.416 1.00 0.00 C ATOM 813 CG GLN A 50 -7.062 -2.260 11.930 1.00 0.00 C ATOM 814 CD GLN A 50 -6.898 -3.255 13.058 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.854 -3.920 13.463 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.680 -3.386 13.555 1.00 0.00 N ATOM 0 H GLN A 50 -5.659 0.213 11.133 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.409 -0.364 10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.728 -0.488 13.078 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.405 -0.992 13.008 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.798 -2.639 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.119 -2.169 11.392 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.917 -2.816 13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.504 -4.057 14.302 1.00 0.00 H new ATOM 825 N LYS A 51 -7.618 2.378 12.125 1.00 0.00 N ATOM 826 CA LYS A 51 -8.143 3.671 12.547 1.00 0.00 C ATOM 827 C LYS A 51 -8.806 4.367 11.370 1.00 0.00 C ATOM 828 O LYS A 51 -9.803 5.067 11.526 1.00 0.00 O ATOM 829 CB LYS A 51 -7.024 4.560 13.091 1.00 0.00 C ATOM 830 CG LYS A 51 -6.337 4.015 14.328 1.00 0.00 C ATOM 831 CD LYS A 51 -5.191 4.917 14.750 1.00 0.00 C ATOM 832 CE LYS A 51 -4.477 4.391 15.982 1.00 0.00 C ATOM 833 NZ LYS A 51 -5.342 4.406 17.188 1.00 0.00 N ATOM 0 H LYS A 51 -6.600 2.327 12.089 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.874 3.501 13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.278 4.704 12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.437 5.542 13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.057 3.930 15.142 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.961 3.011 14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.479 5.007 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.573 5.918 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.138 3.372 15.794 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.588 4.994 16.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.774 4.168 18.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.755 5.353 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.105 3.708 17.077 1.00 0.00 H new ATOM 847 N LEU A 52 -8.234 4.170 10.192 1.00 0.00 N ATOM 848 CA LEU A 52 -8.792 4.708 8.963 1.00 0.00 C ATOM 849 C LEU A 52 -10.039 3.935 8.577 1.00 0.00 C ATOM 850 O LEU A 52 -10.100 2.714 8.725 1.00 0.00 O ATOM 851 CB LEU A 52 -7.747 4.652 7.852 1.00 0.00 C ATOM 852 CG LEU A 52 -6.451 5.401 8.168 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.387 5.084 7.141 1.00 0.00 C ATOM 854 CD2 LEU A 52 -6.700 6.901 8.231 1.00 0.00 C ATOM 0 H LEU A 52 -7.375 3.636 10.062 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.072 5.750 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.509 3.609 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.179 5.066 6.941 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.096 5.070 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.474 5.627 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.185 4.013 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.735 5.384 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.766 7.416 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.082 7.247 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.431 7.116 9.011 1.00 0.00 H new ATOM 866 N ASP A 53 -11.034 4.648 8.087 1.00 0.00 N ATOM 867 CA ASP A 53 -12.338 4.060 7.833 1.00 0.00 C ATOM 868 C ASP A 53 -12.432 3.520 6.408 1.00 0.00 C ATOM 869 O ASP A 53 -13.062 2.492 6.159 1.00 0.00 O ATOM 870 CB ASP A 53 -13.424 5.108 8.081 1.00 0.00 C ATOM 871 CG ASP A 53 -14.818 4.573 7.861 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.356 3.918 8.777 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.387 4.815 6.774 1.00 0.00 O ATOM 0 H ASP A 53 -10.965 5.639 7.856 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.482 3.220 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.339 5.477 9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.258 5.959 7.420 1.00 0.00 H new ATOM 878 N SER A 54 -11.789 4.211 5.482 1.00 0.00 N ATOM 879 CA SER A 54 -11.844 3.845 4.075 1.00 0.00 C ATOM 880 C SER A 54 -10.601 3.068 3.648 1.00 0.00 C ATOM 881 O SER A 54 -9.492 3.357 4.102 1.00 0.00 O ATOM 882 CB SER A 54 -11.993 5.106 3.227 1.00 0.00 C ATOM 883 OG SER A 54 -13.221 5.764 3.500 1.00 0.00 O ATOM 0 H SER A 54 -11.219 5.034 5.680 1.00 0.00 H new ATOM 0 HA SER A 54 -12.706 3.195 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.162 5.783 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.944 4.845 2.170 1.00 0.00 H new ATOM 0 HG SER A 54 -13.291 6.569 2.946 1.00 0.00 H new ATOM 889 N LEU A 55 -10.798 2.089 2.771 1.00 0.00 N ATOM 890 CA LEU A 55 -9.701 1.281 2.239 1.00 0.00 C ATOM 891 C LEU A 55 -8.686 2.141 1.470 1.00 0.00 C ATOM 892 O LEU A 55 -7.481 2.026 1.703 1.00 0.00 O ATOM 893 CB LEU A 55 -10.246 0.162 1.338 1.00 0.00 C ATOM 894 CG LEU A 55 -9.199 -0.805 0.779 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.571 -1.621 1.897 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.826 -1.718 -0.265 1.00 0.00 C ATOM 0 H LEU A 55 -11.717 1.833 2.409 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.181 0.832 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.979 -0.412 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.776 0.619 0.502 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.412 -0.222 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.830 -2.302 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.088 -0.952 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.344 -2.196 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.070 -2.400 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.632 -2.292 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.226 -1.117 -1.081 1.00 0.00 H new ATOM 908 N PRO A 56 -9.135 3.015 0.534 1.00 0.00 N ATOM 909 CA PRO A 56 -8.229 3.924 -0.178 1.00 0.00 C ATOM 910 C PRO A 56 -7.422 4.796 0.781 1.00 0.00 C ATOM 911 O PRO A 56 -6.239 5.050 0.556 1.00 0.00 O ATOM 912 CB PRO A 56 -9.162 4.797 -1.028 1.00 0.00 C ATOM 913 CG PRO A 56 -10.530 4.572 -0.480 1.00 0.00 C ATOM 914 CD PRO A 56 -10.525 3.177 0.070 1.00 0.00 C ATOM 0 HA PRO A 56 -7.495 3.375 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.882 5.848 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.110 4.517 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.764 5.298 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.286 4.683 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.240 3.061 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.786 2.441 -0.691 1.00 0.00 H new ATOM 922 N ALA A 57 -8.071 5.231 1.860 1.00 0.00 N ATOM 923 CA ALA A 57 -7.424 6.064 2.865 1.00 0.00 C ATOM 924 C ALA A 57 -6.276 5.313 3.520 1.00 0.00 C ATOM 925 O ALA A 57 -5.225 5.888 3.807 1.00 0.00 O ATOM 926 CB ALA A 57 -8.432 6.519 3.913 1.00 0.00 C ATOM 0 H ALA A 57 -9.048 5.018 2.058 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.020 6.948 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.930 7.140 4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.222 7.096 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.866 5.647 4.403 1.00 0.00 H new ATOM 932 N GLN A 58 -6.481 4.022 3.737 1.00 0.00 N ATOM 933 CA GLN A 58 -5.461 3.167 4.321 1.00 0.00 C ATOM 934 C GLN A 58 -4.246 3.090 3.410 1.00 0.00 C ATOM 935 O GLN A 58 -3.123 3.369 3.828 1.00 0.00 O ATOM 936 CB GLN A 58 -6.025 1.768 4.568 1.00 0.00 C ATOM 937 CG GLN A 58 -7.165 1.742 5.570 1.00 0.00 C ATOM 938 CD GLN A 58 -7.866 0.400 5.633 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.268 -0.649 5.393 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.146 0.428 5.953 1.00 0.00 N ATOM 0 H GLN A 58 -7.353 3.542 3.515 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.152 3.596 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.374 1.354 3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.224 1.120 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.779 1.991 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.890 2.513 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.604 1.319 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.677 -0.441 6.009 1.00 0.00 H new ATOM 949 N ALA A 59 -4.488 2.745 2.156 1.00 0.00 N ATOM 950 CA ALA A 59 -3.419 2.610 1.178 1.00 0.00 C ATOM 951 C ALA A 59 -2.684 3.931 0.967 1.00 0.00 C ATOM 952 O ALA A 59 -1.458 3.962 0.860 1.00 0.00 O ATOM 953 CB ALA A 59 -3.983 2.096 -0.135 1.00 0.00 C ATOM 0 H ALA A 59 -5.420 2.552 1.789 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.695 1.891 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.178 1.997 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.449 1.124 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.728 2.798 -0.511 1.00 0.00 H new ATOM 959 N GLN A 60 -3.438 5.024 0.926 1.00 0.00 N ATOM 960 CA GLN A 60 -2.858 6.348 0.732 1.00 0.00 C ATOM 961 C GLN A 60 -1.965 6.728 1.909 1.00 0.00 C ATOM 962 O GLN A 60 -0.872 7.268 1.725 1.00 0.00 O ATOM 963 CB GLN A 60 -3.967 7.391 0.554 1.00 0.00 C ATOM 964 CG GLN A 60 -3.452 8.795 0.265 1.00 0.00 C ATOM 965 CD GLN A 60 -2.652 8.872 -1.022 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.205 9.104 -2.095 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.347 8.680 -0.921 1.00 0.00 N ATOM 0 H GLN A 60 -4.453 5.019 1.025 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.245 6.323 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.619 7.078 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.577 7.417 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.296 9.482 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.829 9.127 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.928 8.490 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.759 8.722 -1.754 1.00 0.00 H new ATOM 976 N HIS A 61 -2.430 6.433 3.118 1.00 0.00 N ATOM 977 CA HIS A 61 -1.666 6.744 4.320 1.00 0.00 C ATOM 978 C HIS A 61 -0.427 5.873 4.418 1.00 0.00 C ATOM 979 O HIS A 61 0.600 6.314 4.933 1.00 0.00 O ATOM 980 CB HIS A 61 -2.527 6.599 5.573 1.00 0.00 C ATOM 981 CG HIS A 61 -3.332 7.826 5.878 1.00 0.00 C ATOM 982 ND1 HIS A 61 -4.528 8.120 5.262 1.00 0.00 N ATOM 983 CD2 HIS A 61 -3.097 8.845 6.738 1.00 0.00 C ATOM 984 CE1 HIS A 61 -4.993 9.265 5.727 1.00 0.00 C ATOM 985 NE2 HIS A 61 -4.144 9.724 6.625 1.00 0.00 N ATOM 0 H HIS A 61 -3.328 5.981 3.291 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.346 7.784 4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.201 5.751 5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.885 6.372 6.424 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -4.984 7.543 4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.243 8.947 7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.912 9.744 5.423 1.00 0.00 H new ATOM 994 N LEU A 62 -0.523 4.643 3.914 1.00 0.00 N ATOM 995 CA LEU A 62 0.640 3.771 3.819 1.00 0.00 C ATOM 996 C LEU A 62 1.760 4.489 3.086 1.00 0.00 C ATOM 997 O LEU A 62 2.865 4.607 3.600 1.00 0.00 O ATOM 998 CB LEU A 62 0.292 2.471 3.085 1.00 0.00 C ATOM 999 CG LEU A 62 -0.511 1.451 3.892 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.939 0.293 3.002 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.315 0.945 5.066 1.00 0.00 C ATOM 0 H LEU A 62 -1.390 4.233 3.568 1.00 0.00 H new ATOM 0 HA LEU A 62 0.965 3.519 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.272 2.722 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.219 2.000 2.758 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.407 1.936 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.510 -0.426 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.558 0.669 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.056 -0.195 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.267 0.219 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.223 0.471 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.581 1.782 5.712 1.00 0.00 H new ATOM 1013 N ILE A 63 1.433 5.009 1.907 1.00 0.00 N ATOM 1014 CA ILE A 63 2.392 5.726 1.068 1.00 0.00 C ATOM 1015 C ILE A 63 2.992 6.924 1.802 1.00 0.00 C ATOM 1016 O ILE A 63 4.186 7.200 1.691 1.00 0.00 O ATOM 1017 CB ILE A 63 1.717 6.236 -0.228 1.00 0.00 C ATOM 1018 CG1 ILE A 63 1.009 5.090 -0.951 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.741 6.887 -1.148 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.175 5.538 -2.132 1.00 0.00 C ATOM 0 H ILE A 63 0.498 4.946 1.505 1.00 0.00 H new ATOM 0 HA ILE A 63 3.185 5.019 0.822 1.00 0.00 H new ATOM 0 HB ILE A 63 0.975 6.985 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.755 4.374 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.367 4.566 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.246 7.238 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.205 7.731 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.507 6.158 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.296 4.671 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.594 6.231 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.815 6.035 -2.861 1.00 0.00 H new ATOM 1032 N ASP A 64 2.152 7.622 2.555 1.00 0.00 N ATOM 1033 CA ASP A 64 2.543 8.881 3.181 1.00 0.00 C ATOM 1034 C ASP A 64 3.519 8.689 4.340 1.00 0.00 C ATOM 1035 O ASP A 64 4.533 9.381 4.422 1.00 0.00 O ATOM 1036 CB ASP A 64 1.302 9.634 3.671 1.00 0.00 C ATOM 1037 CG ASP A 64 1.640 10.977 4.292 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.998 11.908 3.543 1.00 0.00 O ATOM 1039 OD2 ASP A 64 1.543 11.110 5.532 1.00 0.00 O ATOM 0 H ASP A 64 1.192 7.337 2.748 1.00 0.00 H new ATOM 0 HA ASP A 64 3.058 9.464 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.620 9.786 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.776 9.022 4.403 1.00 0.00 H new ATOM 1044 N THR A 65 3.226 7.753 5.234 1.00 0.00 N ATOM 1045 CA THR A 65 3.978 7.651 6.480 1.00 0.00 C ATOM 1046 C THR A 65 5.045 6.547 6.451 1.00 0.00 C ATOM 1047 O THR A 65 6.039 6.631 7.174 1.00 0.00 O ATOM 1048 CB THR A 65 3.031 7.437 7.687 1.00 0.00 C ATOM 1049 OG1 THR A 65 3.770 7.426 8.916 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.254 6.138 7.548 1.00 0.00 C ATOM 0 H THR A 65 2.484 7.062 5.123 1.00 0.00 H new ATOM 0 HA THR A 65 4.500 8.601 6.593 1.00 0.00 H new ATOM 0 HB THR A 65 2.325 8.267 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.155 7.291 9.667 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.597 6.013 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.656 6.167 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.950 5.301 7.499 1.00 0.00 H new ATOM 1058 N SER A 66 4.864 5.528 5.619 1.00 0.00 N ATOM 1059 CA SER A 66 5.774 4.387 5.624 1.00 0.00 C ATOM 1060 C SER A 66 5.964 3.817 4.223 1.00 0.00 C ATOM 1061 O SER A 66 5.422 4.340 3.252 1.00 0.00 O ATOM 1062 CB SER A 66 5.226 3.291 6.548 1.00 0.00 C ATOM 1063 OG SER A 66 5.051 3.769 7.872 1.00 0.00 O ATOM 0 H SER A 66 4.105 5.467 4.940 1.00 0.00 H new ATOM 0 HA SER A 66 6.742 4.733 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.273 2.930 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.910 2.442 6.554 1.00 0.00 H new ATOM 0 HG SER A 66 4.699 3.049 8.436 1.00 0.00 H new ATOM 1069 N CYS A 67 6.762 2.764 4.125 1.00 0.00 N ATOM 1070 CA CYS A 67 6.842 1.973 2.910 1.00 0.00 C ATOM 1071 C CYS A 67 7.180 0.530 3.266 1.00 0.00 C ATOM 1072 O CYS A 67 8.341 0.194 3.513 1.00 0.00 O ATOM 1073 CB CYS A 67 7.908 2.539 1.962 1.00 0.00 C ATOM 1074 SG CYS A 67 7.623 4.251 1.455 1.00 0.00 S ATOM 0 H CYS A 67 7.366 2.437 4.879 1.00 0.00 H new ATOM 0 HA CYS A 67 5.878 2.010 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.881 2.474 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.955 1.912 1.072 1.00 0.00 H new ATOM 0 HG CYS A 67 6.587 4.723 2.083 1.00 0.00 H new ATOM 1080 N GLU A 68 6.150 -0.306 3.308 1.00 0.00 N ATOM 1081 CA GLU A 68 6.304 -1.737 3.535 1.00 0.00 C ATOM 1082 C GLU A 68 4.950 -2.419 3.411 1.00 0.00 C ATOM 1083 O GLU A 68 3.913 -1.777 3.579 1.00 0.00 O ATOM 1084 CB GLU A 68 6.907 -2.044 4.915 1.00 0.00 C ATOM 1085 CG GLU A 68 6.055 -1.588 6.091 1.00 0.00 C ATOM 1086 CD GLU A 68 6.430 -2.288 7.381 1.00 0.00 C ATOM 1087 OE1 GLU A 68 7.505 -1.987 7.941 1.00 0.00 O ATOM 1088 OE2 GLU A 68 5.654 -3.154 7.839 1.00 0.00 O ATOM 0 H GLU A 68 5.182 -0.010 3.185 1.00 0.00 H new ATOM 0 HA GLU A 68 6.993 -2.118 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.070 -3.119 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.885 -1.567 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.165 -0.511 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.005 -1.777 5.870 1.00 0.00 H new ATOM 1095 N LEU A 69 4.964 -3.705 3.105 1.00 0.00 N ATOM 1096 CA LEU A 69 3.754 -4.509 3.123 1.00 0.00 C ATOM 1097 C LEU A 69 4.114 -5.983 3.039 1.00 0.00 C ATOM 1098 O LEU A 69 4.630 -6.443 2.023 1.00 0.00 O ATOM 1099 CB LEU A 69 2.817 -4.125 1.974 1.00 0.00 C ATOM 1100 CG LEU A 69 1.452 -4.823 1.984 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.701 -4.530 3.273 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.627 -4.395 0.783 1.00 0.00 C ATOM 0 H LEU A 69 5.805 -4.217 2.840 1.00 0.00 H new ATOM 0 HA LEU A 69 3.230 -4.319 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.656 -3.047 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.315 -4.349 1.030 1.00 0.00 H new ATOM 0 HG LEU A 69 1.622 -5.898 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.264 -5.037 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.283 -4.888 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.545 -3.455 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.339 -4.900 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.473 -3.316 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.154 -4.661 -0.134 1.00 0.00 H new ATOM 1114 N ASP A 70 3.876 -6.705 4.121 1.00 0.00 N ATOM 1115 CA ASP A 70 4.134 -8.140 4.158 1.00 0.00 C ATOM 1116 C ASP A 70 3.120 -8.863 3.287 1.00 0.00 C ATOM 1117 O ASP A 70 1.923 -8.835 3.565 1.00 0.00 O ATOM 1118 CB ASP A 70 4.046 -8.653 5.598 1.00 0.00 C ATOM 1119 CG ASP A 70 4.565 -10.070 5.768 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.341 -10.917 4.880 1.00 0.00 O ATOM 1121 OD2 ASP A 70 5.194 -10.346 6.814 1.00 0.00 O ATOM 0 H ASP A 70 3.503 -6.322 4.990 1.00 0.00 H new ATOM 0 HA ASP A 70 5.137 -8.333 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.613 -7.986 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.008 -8.613 5.927 1.00 0.00 H new ATOM 1126 N VAL A 71 3.599 -9.494 2.228 1.00 0.00 N ATOM 1127 CA VAL A 71 2.721 -10.190 1.301 1.00 0.00 C ATOM 1128 C VAL A 71 3.080 -11.668 1.214 1.00 0.00 C ATOM 1129 O VAL A 71 2.692 -12.356 0.268 1.00 0.00 O ATOM 1130 CB VAL A 71 2.763 -9.564 -0.112 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.194 -8.154 -0.091 1.00 0.00 C ATOM 1132 CG2 VAL A 71 4.179 -9.552 -0.668 1.00 0.00 C ATOM 0 H VAL A 71 4.589 -9.539 1.989 1.00 0.00 H new ATOM 0 HA VAL A 71 1.708 -10.089 1.691 1.00 0.00 H new ATOM 0 HB VAL A 71 2.147 -10.181 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.233 -7.731 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.159 -8.184 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.782 -7.535 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.176 -9.106 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.823 -8.968 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.554 -10.573 -0.730 1.00 0.00 H new ATOM 1142 N GLY A 72 3.813 -12.154 2.204 1.00 0.00 N ATOM 1143 CA GLY A 72 4.167 -13.556 2.232 1.00 0.00 C ATOM 1144 C GLY A 72 5.444 -13.815 2.995 1.00 0.00 C ATOM 1145 O GLY A 72 6.174 -12.883 3.330 1.00 0.00 O ATOM 0 H GLY A 72 4.168 -11.604 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.355 -14.123 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.278 -13.920 1.211 1.00 0.00 H new ATOM 1149 N ALA A 73 5.713 -15.084 3.272 1.00 0.00 N ATOM 1150 CA ALA A 73 6.930 -15.485 3.964 1.00 0.00 C ATOM 1151 C ALA A 73 8.158 -15.136 3.133 1.00 0.00 C ATOM 1152 O ALA A 73 8.508 -15.851 2.192 1.00 0.00 O ATOM 1153 CB ALA A 73 6.897 -16.976 4.270 1.00 0.00 C ATOM 0 H ALA A 73 5.098 -15.860 3.025 1.00 0.00 H new ATOM 0 HA ALA A 73 6.989 -14.939 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.813 -17.262 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.038 -17.199 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.816 -17.537 3.339 1.00 0.00 H new ATOM 1159 N GLY A 74 8.777 -14.013 3.458 1.00 0.00 N ATOM 1160 CA GLY A 74 9.947 -13.571 2.727 1.00 0.00 C ATOM 1161 C GLY A 74 9.592 -12.603 1.618 1.00 0.00 C ATOM 1162 O GLY A 74 10.472 -12.038 0.972 1.00 0.00 O ATOM 0 H GLY A 74 8.490 -13.396 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.645 -13.094 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.458 -14.436 2.303 1.00 0.00 H new ATOM 1166 N LYS A 75 8.298 -12.405 1.408 1.00 0.00 N ATOM 1167 CA LYS A 75 7.821 -11.515 0.362 1.00 0.00 C ATOM 1168 C LYS A 75 7.290 -10.222 0.961 1.00 0.00 C ATOM 1169 O LYS A 75 6.437 -10.241 1.849 1.00 0.00 O ATOM 1170 CB LYS A 75 6.719 -12.185 -0.465 1.00 0.00 C ATOM 1171 CG LYS A 75 7.173 -13.413 -1.239 1.00 0.00 C ATOM 1172 CD LYS A 75 6.077 -13.916 -2.168 1.00 0.00 C ATOM 1173 CE LYS A 75 4.865 -14.405 -1.392 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.758 -14.822 -2.293 1.00 0.00 N ATOM 0 H LYS A 75 7.559 -12.851 1.951 1.00 0.00 H new ATOM 0 HA LYS A 75 8.664 -11.288 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.905 -12.471 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.315 -11.456 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.063 -13.171 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.453 -14.203 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.778 -13.116 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.466 -14.726 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.154 -15.245 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.515 -13.613 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.951 -15.148 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.464 -14.014 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.083 -15.595 -2.908 1.00 0.00 H new ATOM 1188 N TYR A 76 7.790 -9.101 0.473 1.00 0.00 N ATOM 1189 CA TYR A 76 7.317 -7.810 0.926 1.00 0.00 C ATOM 1190 C TYR A 76 7.116 -6.868 -0.254 1.00 0.00 C ATOM 1191 O TYR A 76 7.731 -7.026 -1.310 1.00 0.00 O ATOM 1192 CB TYR A 76 8.284 -7.196 1.949 1.00 0.00 C ATOM 1193 CG TYR A 76 9.649 -6.843 1.395 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.668 -7.785 1.346 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.920 -5.560 0.933 1.00 0.00 C ATOM 1196 CE1 TYR A 76 11.917 -7.461 0.848 1.00 0.00 C ATOM 1197 CE2 TYR A 76 11.165 -5.228 0.436 1.00 0.00 C ATOM 1198 CZ TYR A 76 12.161 -6.180 0.396 1.00 0.00 C ATOM 1199 OH TYR A 76 13.406 -5.844 -0.091 1.00 0.00 O ATOM 0 H TYR A 76 8.522 -9.061 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 76 6.355 -7.957 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.830 -6.295 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.412 -7.896 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.482 -8.787 1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.143 -4.810 0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.697 -8.207 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.357 -4.227 0.080 1.00 0.00 H new ATOM 0 HH TYR A 76 13.406 -4.904 -0.368 1.00 0.00 H new ATOM 1209 N LEU A 77 6.226 -5.914 -0.068 1.00 0.00 N ATOM 1210 CA LEU A 77 5.962 -4.891 -1.060 1.00 0.00 C ATOM 1211 C LEU A 77 6.574 -3.569 -0.611 1.00 0.00 C ATOM 1212 O LEU A 77 6.215 -3.037 0.439 1.00 0.00 O ATOM 1213 CB LEU A 77 4.449 -4.743 -1.263 1.00 0.00 C ATOM 1214 CG LEU A 77 4.005 -3.584 -2.156 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.628 -3.697 -3.533 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.492 -3.556 -2.268 1.00 0.00 C ATOM 0 H LEU A 77 5.664 -5.826 0.778 1.00 0.00 H new ATOM 0 HA LEU A 77 6.414 -5.180 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.067 -5.671 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.981 -4.623 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 77 4.343 -2.653 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.298 -2.862 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.714 -3.676 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.320 -4.635 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.190 -2.726 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.142 -4.493 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.056 -3.429 -1.277 1.00 0.00 H new ATOM 1228 N GLN A 78 7.514 -3.056 -1.389 1.00 0.00 N ATOM 1229 CA GLN A 78 8.137 -1.781 -1.076 1.00 0.00 C ATOM 1230 C GLN A 78 8.015 -0.840 -2.265 1.00 0.00 C ATOM 1231 O GLN A 78 7.879 -1.282 -3.409 1.00 0.00 O ATOM 1232 CB GLN A 78 9.608 -1.973 -0.669 1.00 0.00 C ATOM 1233 CG GLN A 78 10.522 -2.448 -1.791 1.00 0.00 C ATOM 1234 CD GLN A 78 11.289 -1.315 -2.447 1.00 0.00 C ATOM 1235 OE1 GLN A 78 10.827 -0.711 -3.412 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.473 -1.023 -1.930 1.00 0.00 N ATOM 0 H GLN A 78 7.861 -3.501 -2.239 1.00 0.00 H new ATOM 0 HA GLN A 78 7.618 -1.336 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.990 -1.028 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.654 -2.693 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.229 -3.176 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.926 -2.961 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.823 -1.547 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.035 -0.274 -2.334 1.00 0.00 H new ATOM 1245 N TRP A 79 8.038 0.451 -1.983 1.00 0.00 N ATOM 1246 CA TRP A 79 7.924 1.464 -3.015 1.00 0.00 C ATOM 1247 C TRP A 79 8.598 2.745 -2.547 1.00 0.00 C ATOM 1248 O TRP A 79 8.531 3.088 -1.370 1.00 0.00 O ATOM 1249 CB TRP A 79 6.444 1.732 -3.348 1.00 0.00 C ATOM 1250 CG TRP A 79 5.642 2.254 -2.182 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.417 3.565 -1.866 1.00 0.00 C ATOM 1252 CD2 TRP A 79 4.965 1.480 -1.182 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.652 3.653 -0.730 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.355 2.389 -0.295 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.810 0.110 -0.954 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.612 1.970 0.806 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.071 -0.304 0.138 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.478 0.624 1.006 1.00 0.00 C ATOM 0 H TRP A 79 8.136 0.824 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 79 8.418 1.107 -3.918 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.390 2.451 -4.165 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.989 0.808 -3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.788 4.409 -2.429 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.353 4.519 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.260 -0.612 -1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.158 2.683 1.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.948 -1.360 0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.904 0.269 1.849 1.00 0.00 H new ATOM 1269 N TYR A 80 9.277 3.433 -3.449 1.00 0.00 N ATOM 1270 CA TYR A 80 9.842 4.731 -3.127 1.00 0.00 C ATOM 1271 C TYR A 80 9.702 5.683 -4.305 1.00 0.00 C ATOM 1272 O TYR A 80 9.788 5.275 -5.465 1.00 0.00 O ATOM 1273 CB TYR A 80 11.305 4.613 -2.661 1.00 0.00 C ATOM 1274 CG TYR A 80 12.248 3.916 -3.623 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.247 2.531 -3.760 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.161 4.647 -4.374 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.129 1.896 -4.616 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.042 4.019 -5.234 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.021 2.645 -5.352 1.00 0.00 C ATOM 1280 OH TYR A 80 14.901 2.019 -6.205 1.00 0.00 O ATOM 0 H TYR A 80 9.449 3.117 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 80 9.278 5.146 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.688 5.615 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.323 4.077 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.545 1.942 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.182 5.723 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.118 0.820 -4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.744 4.602 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 80 15.460 2.690 -6.649 1.00 0.00 H new ATOM 1290 N ALA A 81 9.453 6.946 -4.001 1.00 0.00 N ATOM 1291 CA ALA A 81 9.249 7.955 -5.026 1.00 0.00 C ATOM 1292 C ALA A 81 10.571 8.552 -5.467 1.00 0.00 C ATOM 1293 O ALA A 81 11.477 8.748 -4.655 1.00 0.00 O ATOM 1294 CB ALA A 81 8.332 9.054 -4.514 1.00 0.00 C ATOM 0 H ALA A 81 9.387 7.298 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 81 8.782 7.473 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.190 9.802 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.367 8.626 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.781 9.524 -3.639 1.00 0.00 H new ATOM 1300 N VAL A 82 10.679 8.833 -6.751 1.00 0.00 N ATOM 1301 CA VAL A 82 11.862 9.482 -7.288 1.00 0.00 C ATOM 1302 C VAL A 82 11.524 10.889 -7.768 1.00 0.00 C ATOM 1303 O VAL A 82 10.896 11.078 -8.810 1.00 0.00 O ATOM 1304 CB VAL A 82 12.504 8.660 -8.430 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.265 7.471 -7.863 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.450 8.183 -9.419 1.00 0.00 C ATOM 0 H VAL A 82 9.961 8.622 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 82 12.594 9.547 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 82 13.202 9.308 -8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.711 6.902 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.051 7.826 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.579 6.831 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.929 7.608 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.724 7.555 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.941 9.044 -9.852 1.00 0.00 H new