USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 Set 1.1: A 61 HIS : no HE2:sc= 0.0254 K(o=0.48,f=-0.35) USER MOD Set 1.2: A 66 SER OG : rot -2:sc= 0.451 USER MOD Set 2.1: A 9 GLN : amide:sc= -2.64! K(o=-2.6!,f=0.036) USER MOD Set 2.2: A 25 THR OG1 : rot -170:sc= 0.0362 USER MOD Single : A 11 ASN : amide:sc= 0.48 K(o=0.48,f=-0.22) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= 0.835 (180deg=0.147) USER MOD Single : A 34 LYS NZ :NH3+ 142:sc= -0.0646 (180deg=-1.31) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.49 (180deg=1.48) 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= -0.659! C(o=-0.66!,f=-5.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 62:sc= 0.321 USER MOD Single : A 58 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 60 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.8) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 2.48 (180deg=2.25) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.15) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 -0.119 13.200 -9.825 1.00 0.00 N ATOM 135 CA GLN A 9 0.160 11.798 -9.587 1.00 0.00 C ATOM 136 C GLN A 9 1.661 11.560 -9.674 1.00 0.00 C ATOM 137 O GLN A 9 2.227 11.523 -10.766 1.00 0.00 O ATOM 138 CB GLN A 9 -0.585 10.925 -10.603 1.00 0.00 C ATOM 139 CG GLN A 9 -2.101 11.027 -10.501 1.00 0.00 C ATOM 140 CD GLN A 9 -2.826 10.259 -11.594 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.932 10.622 -11.998 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.212 9.193 -12.078 1.00 0.00 N ATOM 0 HA GLN A 9 -0.187 11.526 -8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.277 11.210 -11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.289 9.885 -10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.420 10.651 -9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.392 12.076 -10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.296 8.924 -11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.654 8.639 -12.812 1.00 0.00 H new ATOM 151 N ASP A 10 2.297 11.427 -8.518 1.00 0.00 N ATOM 152 CA ASP A 10 3.741 11.240 -8.452 1.00 0.00 C ATOM 153 C ASP A 10 4.129 9.887 -9.025 1.00 0.00 C ATOM 154 O ASP A 10 3.277 9.016 -9.215 1.00 0.00 O ATOM 155 CB ASP A 10 4.242 11.332 -7.006 1.00 0.00 C ATOM 156 CG ASP A 10 4.010 12.688 -6.367 1.00 0.00 C ATOM 157 OD1 ASP A 10 4.850 13.592 -6.553 1.00 0.00 O ATOM 158 OD2 ASP A 10 2.998 12.844 -5.645 1.00 0.00 O ATOM 0 H ASP A 10 1.834 11.445 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 10 4.203 12.033 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.744 10.568 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.308 11.108 -6.985 1.00 0.00 H new ATOM 163 N ASN A 11 5.413 9.706 -9.287 1.00 0.00 N ATOM 164 CA ASN A 11 5.903 8.450 -9.822 1.00 0.00 C ATOM 165 C ASN A 11 6.653 7.681 -8.741 1.00 0.00 C ATOM 166 O ASN A 11 7.561 8.206 -8.091 1.00 0.00 O ATOM 167 CB ASN A 11 6.791 8.685 -11.055 1.00 0.00 C ATOM 168 CG ASN A 11 8.117 9.352 -10.730 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.212 10.578 -10.637 1.00 0.00 O ATOM 170 ND2 ASN A 11 9.157 8.545 -10.590 1.00 0.00 N ATOM 0 H ASN A 11 6.133 10.413 -9.138 1.00 0.00 H new ATOM 0 HA ASN A 11 5.051 7.851 -10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.984 7.729 -11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.249 9.303 -11.771 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.081 8.932 -10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.035 7.536 -10.675 1.00 0.00 H new ATOM 177 N PHE A 12 6.237 6.447 -8.524 1.00 0.00 N ATOM 178 CA PHE A 12 6.862 5.591 -7.533 1.00 0.00 C ATOM 179 C PHE A 12 7.324 4.302 -8.190 1.00 0.00 C ATOM 180 O PHE A 12 6.630 3.758 -9.050 1.00 0.00 O ATOM 181 CB PHE A 12 5.879 5.263 -6.403 1.00 0.00 C ATOM 182 CG PHE A 12 5.260 6.474 -5.760 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.926 7.165 -4.762 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.005 6.917 -6.154 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.357 8.277 -4.170 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.432 8.027 -5.565 1.00 0.00 C ATOM 187 CZ PHE A 12 4.109 8.708 -4.572 1.00 0.00 C ATOM 0 H PHE A 12 5.462 6.012 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 12 7.718 6.118 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.086 4.629 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.399 4.685 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.902 6.831 -4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.471 6.388 -6.929 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.888 8.808 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.455 8.362 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.662 9.576 -4.111 1.00 0.00 H new ATOM 197 N VAL A 13 8.495 3.821 -7.807 1.00 0.00 N ATOM 198 CA VAL A 13 8.977 2.550 -8.322 1.00 0.00 C ATOM 199 C VAL A 13 8.596 1.428 -7.363 1.00 0.00 C ATOM 200 O VAL A 13 8.816 1.527 -6.152 1.00 0.00 O ATOM 201 CB VAL A 13 10.507 2.546 -8.569 1.00 0.00 C ATOM 202 CG1 VAL A 13 10.880 3.558 -9.641 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.282 2.827 -7.292 1.00 0.00 C ATOM 0 H VAL A 13 9.123 4.284 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 13 8.501 2.391 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 13 10.778 1.548 -8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.958 3.540 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.372 3.306 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.577 4.555 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.351 2.816 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.000 3.805 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.052 2.062 -6.551 1.00 0.00 H new ATOM 213 N VAL A 14 7.991 0.382 -7.904 1.00 0.00 N ATOM 214 CA VAL A 14 7.559 -0.746 -7.097 1.00 0.00 C ATOM 215 C VAL A 14 8.522 -1.916 -7.257 1.00 0.00 C ATOM 216 O VAL A 14 8.691 -2.455 -8.353 1.00 0.00 O ATOM 217 CB VAL A 14 6.131 -1.198 -7.467 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.706 -2.381 -6.612 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.150 -0.046 -7.307 1.00 0.00 C ATOM 0 H VAL A 14 7.788 0.292 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 14 7.555 -0.418 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 14 6.130 -1.511 -8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.696 -2.685 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.392 -3.212 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.724 -2.095 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.148 -0.382 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.156 0.296 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.443 0.775 -7.962 1.00 0.00 H new ATOM 229 N LEU A 15 9.155 -2.297 -6.162 1.00 0.00 N ATOM 230 CA LEU A 15 10.092 -3.402 -6.172 1.00 0.00 C ATOM 231 C LEU A 15 9.612 -4.487 -5.231 1.00 0.00 C ATOM 232 O LEU A 15 9.720 -4.378 -4.008 1.00 0.00 O ATOM 233 CB LEU A 15 11.528 -2.959 -5.828 1.00 0.00 C ATOM 234 CG LEU A 15 11.689 -2.006 -4.638 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.136 -1.986 -4.171 1.00 0.00 C ATOM 236 CD2 LEU A 15 11.253 -0.604 -5.027 1.00 0.00 C ATOM 0 H LEU A 15 9.035 -1.854 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 15 10.130 -3.799 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.121 -3.852 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.956 -2.479 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 15 11.059 -2.360 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.236 -1.305 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.434 -2.989 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.777 -1.649 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.372 0.064 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.867 -0.248 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.207 -0.620 -5.332 1.00 0.00 H new ATOM 248 N GLU A 16 9.041 -5.513 -5.821 1.00 0.00 N ATOM 249 CA GLU A 16 8.528 -6.642 -5.070 1.00 0.00 C ATOM 250 C GLU A 16 9.579 -7.738 -4.967 1.00 0.00 C ATOM 251 O GLU A 16 10.518 -7.787 -5.762 1.00 0.00 O ATOM 252 CB GLU A 16 7.270 -7.199 -5.734 1.00 0.00 C ATOM 253 CG GLU A 16 6.109 -6.220 -5.774 1.00 0.00 C ATOM 254 CD GLU A 16 4.902 -6.775 -6.501 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.864 -6.687 -7.742 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.989 -7.303 -5.835 1.00 0.00 O ATOM 0 H GLU A 16 8.918 -5.591 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 16 8.278 -6.295 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.512 -7.501 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.957 -8.097 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.825 -5.957 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.431 -5.300 -6.262 1.00 0.00 H new ATOM 354 N PHE A 23 8.255 2.292 -12.917 1.00 0.00 N ATOM 355 CA PHE A 23 7.651 3.343 -12.113 1.00 0.00 C ATOM 356 C PHE A 23 6.202 3.560 -12.526 1.00 0.00 C ATOM 357 O PHE A 23 5.854 3.419 -13.699 1.00 0.00 O ATOM 358 CB PHE A 23 8.447 4.651 -12.241 1.00 0.00 C ATOM 359 CG PHE A 23 8.482 5.226 -13.633 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.377 4.745 -14.578 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.622 6.254 -13.992 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.411 5.278 -15.853 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.656 6.791 -15.265 1.00 0.00 C ATOM 364 CZ PHE A 23 8.549 6.301 -16.197 1.00 0.00 C ATOM 0 HA PHE A 23 7.672 3.031 -11.069 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.017 5.391 -11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.470 4.473 -11.909 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.054 3.946 -14.315 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.918 6.639 -13.269 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.111 4.895 -16.580 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.984 7.594 -15.531 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.574 6.717 -17.193 1.00 0.00 H new ATOM 374 N LEU A 24 5.368 3.896 -11.559 1.00 0.00 N ATOM 375 CA LEU A 24 3.952 4.101 -11.809 1.00 0.00 C ATOM 376 C LEU A 24 3.418 5.244 -10.954 1.00 0.00 C ATOM 377 O LEU A 24 4.129 5.766 -10.095 1.00 0.00 O ATOM 378 CB LEU A 24 3.196 2.796 -11.551 1.00 0.00 C ATOM 379 CG LEU A 24 3.657 2.015 -10.319 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.914 2.463 -9.073 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.492 0.526 -10.551 1.00 0.00 C ATOM 0 H LEU A 24 5.648 4.033 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 24 3.801 4.383 -12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.135 3.023 -11.443 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.297 2.156 -12.427 1.00 0.00 H new ATOM 0 HG LEU A 24 4.715 2.223 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.264 1.889 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.099 3.523 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.845 2.298 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.824 -0.019 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.443 0.302 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.091 0.223 -11.410 1.00 0.00 H new ATOM 393 N THR A 25 2.172 5.628 -11.192 1.00 0.00 N ATOM 394 CA THR A 25 1.606 6.807 -10.553 1.00 0.00 C ATOM 395 C THR A 25 1.020 6.493 -9.179 1.00 0.00 C ATOM 396 O THR A 25 0.898 5.327 -8.793 1.00 0.00 O ATOM 397 CB THR A 25 0.501 7.425 -11.430 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.560 6.477 -11.615 1.00 0.00 O ATOM 399 CG2 THR A 25 1.051 7.848 -12.785 1.00 0.00 C ATOM 0 H THR A 25 1.535 5.141 -11.822 1.00 0.00 H new ATOM 0 HA THR A 25 2.426 7.514 -10.428 1.00 0.00 H new ATOM 0 HB THR A 25 0.118 8.310 -10.922 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.181 6.810 -12.296 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.250 8.281 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.839 8.588 -12.643 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.459 6.978 -13.300 1.00 0.00 H new ATOM 407 N THR A 26 0.663 7.551 -8.450 1.00 0.00 N ATOM 408 CA THR A 26 -0.007 7.427 -7.160 1.00 0.00 C ATOM 409 C THR A 26 -1.241 6.534 -7.267 1.00 0.00 C ATOM 410 O THR A 26 -1.451 5.652 -6.440 1.00 0.00 O ATOM 411 CB THR A 26 -0.445 8.810 -6.635 1.00 0.00 C ATOM 412 OG1 THR A 26 0.596 9.767 -6.853 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.773 8.747 -5.151 1.00 0.00 C ATOM 0 H THR A 26 0.831 8.515 -8.738 1.00 0.00 H new ATOM 0 HA THR A 26 0.706 6.980 -6.468 1.00 0.00 H new ATOM 0 HB THR A 26 -1.340 9.113 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.310 10.643 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.079 9.734 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.584 8.037 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.109 8.425 -4.597 1.00 0.00 H new ATOM 421 N ILE A 27 -2.044 6.766 -8.304 1.00 0.00 N ATOM 422 CA ILE A 27 -3.264 5.994 -8.521 1.00 0.00 C ATOM 423 C ILE A 27 -2.936 4.520 -8.736 1.00 0.00 C ATOM 424 O ILE A 27 -3.546 3.642 -8.129 1.00 0.00 O ATOM 425 CB ILE A 27 -4.062 6.531 -9.730 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.496 7.980 -9.481 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.271 5.649 -10.018 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.408 8.151 -8.284 1.00 0.00 C ATOM 0 H ILE A 27 -1.870 7.484 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.880 6.098 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.413 6.509 -10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.608 8.596 -9.339 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.005 8.354 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.817 6.048 -10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.937 4.636 -10.241 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.925 5.632 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.671 9.203 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.315 7.564 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.896 7.809 -7.385 1.00 0.00 H new ATOM 440 N GLU A 28 -1.955 4.261 -9.595 1.00 0.00 N ATOM 441 CA GLU A 28 -1.494 2.902 -9.847 1.00 0.00 C ATOM 442 C GLU A 28 -1.070 2.221 -8.554 1.00 0.00 C ATOM 443 O GLU A 28 -1.437 1.073 -8.295 1.00 0.00 O ATOM 444 CB GLU A 28 -0.328 2.915 -10.833 1.00 0.00 C ATOM 445 CG GLU A 28 -0.760 3.065 -12.279 1.00 0.00 C ATOM 446 CD GLU A 28 -1.510 1.845 -12.768 1.00 0.00 C ATOM 447 OE1 GLU A 28 -2.733 1.768 -12.547 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.871 0.946 -13.352 1.00 0.00 O ATOM 0 H GLU A 28 -1.463 4.977 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.322 2.339 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.345 3.733 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.239 1.990 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.393 3.946 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.117 3.229 -12.906 1.00 0.00 H new ATOM 455 N LEU A 29 -0.300 2.939 -7.746 1.00 0.00 N ATOM 456 CA LEU A 29 0.177 2.414 -6.477 1.00 0.00 C ATOM 457 C LEU A 29 -0.994 2.172 -5.528 1.00 0.00 C ATOM 458 O LEU A 29 -1.073 1.124 -4.893 1.00 0.00 O ATOM 459 CB LEU A 29 1.189 3.379 -5.852 1.00 0.00 C ATOM 460 CG LEU A 29 1.906 2.860 -4.603 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.632 1.558 -4.901 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.884 3.903 -4.085 1.00 0.00 C ATOM 0 H LEU A 29 0.007 3.890 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 29 0.674 1.461 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.938 3.629 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.673 4.304 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 29 1.158 2.667 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.135 1.207 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.913 0.808 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.369 1.724 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.387 3.521 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.624 4.122 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.343 4.815 -3.832 1.00 0.00 H new ATOM 474 N LEU A 30 -1.908 3.137 -5.464 1.00 0.00 N ATOM 475 CA LEU A 30 -3.102 3.034 -4.626 1.00 0.00 C ATOM 476 C LEU A 30 -3.868 1.745 -4.891 1.00 0.00 C ATOM 477 O LEU A 30 -4.172 0.991 -3.967 1.00 0.00 O ATOM 478 CB LEU A 30 -4.028 4.227 -4.881 1.00 0.00 C ATOM 479 CG LEU A 30 -3.910 5.377 -3.882 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.736 6.569 -4.341 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.361 4.914 -2.506 1.00 0.00 C ATOM 0 H LEU A 30 -1.843 4.009 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.771 3.031 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.826 4.614 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.058 3.872 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.867 5.688 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.640 7.378 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.378 6.907 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.783 6.277 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.274 5.738 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.399 4.585 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.733 4.086 -2.177 1.00 0.00 H new ATOM 493 N GLU A 31 -4.163 1.494 -6.156 1.00 0.00 N ATOM 494 CA GLU A 31 -4.999 0.365 -6.539 1.00 0.00 C ATOM 495 C GLU A 31 -4.341 -0.975 -6.215 1.00 0.00 C ATOM 496 O GLU A 31 -5.016 -1.917 -5.795 1.00 0.00 O ATOM 497 CB GLU A 31 -5.341 0.447 -8.023 1.00 0.00 C ATOM 498 CG GLU A 31 -6.036 1.743 -8.405 1.00 0.00 C ATOM 499 CD GLU A 31 -7.347 1.947 -7.672 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.366 1.370 -8.103 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.370 2.701 -6.675 1.00 0.00 O ATOM 0 H GLU A 31 -3.835 2.059 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.917 0.422 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.426 0.347 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.982 -0.394 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.373 2.581 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.222 1.747 -9.479 1.00 0.00 H new ATOM 508 N LYS A 32 -3.027 -1.075 -6.401 1.00 0.00 N ATOM 509 CA LYS A 32 -2.338 -2.323 -6.088 1.00 0.00 C ATOM 510 C LYS A 32 -2.077 -2.450 -4.590 1.00 0.00 C ATOM 511 O LYS A 32 -2.115 -3.552 -4.046 1.00 0.00 O ATOM 512 CB LYS A 32 -1.047 -2.488 -6.897 1.00 0.00 C ATOM 513 CG LYS A 32 -0.148 -1.267 -6.929 1.00 0.00 C ATOM 514 CD LYS A 32 1.045 -1.486 -7.851 1.00 0.00 C ATOM 515 CE LYS A 32 0.614 -1.946 -9.242 1.00 0.00 C ATOM 516 NZ LYS A 32 -0.230 -0.936 -9.941 1.00 0.00 N ATOM 0 H LYS A 32 -2.431 -0.328 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.001 -3.137 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.483 -3.325 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.310 -2.754 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.718 -0.401 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.204 -1.044 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.613 -0.560 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.711 -2.230 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.499 -2.154 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.060 -2.881 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.104 -1.388 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.470 -0.168 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.294 -0.546 -10.751 1.00 0.00 H new ATOM 530 N LEU A 33 -1.838 -1.324 -3.920 1.00 0.00 N ATOM 531 CA LEU A 33 -1.746 -1.319 -2.462 1.00 0.00 C ATOM 532 C LEU A 33 -3.062 -1.785 -1.868 1.00 0.00 C ATOM 533 O LEU A 33 -3.083 -2.616 -0.974 1.00 0.00 O ATOM 534 CB LEU A 33 -1.414 0.079 -1.931 1.00 0.00 C ATOM 535 CG LEU A 33 0.059 0.484 -2.003 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.224 1.935 -1.595 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.899 -0.410 -1.111 1.00 0.00 C ATOM 0 H LEU A 33 -1.706 -0.412 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.943 -1.996 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.000 0.808 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.738 0.139 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 33 0.401 0.367 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.277 2.211 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.353 2.570 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.133 2.069 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.944 -0.108 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.557 -0.320 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.800 -1.445 -1.437 1.00 0.00 H new ATOM 549 N LYS A 34 -4.156 -1.247 -2.390 1.00 0.00 N ATOM 550 CA LYS A 34 -5.494 -1.620 -1.953 1.00 0.00 C ATOM 551 C LYS A 34 -5.729 -3.117 -2.110 1.00 0.00 C ATOM 552 O LYS A 34 -6.226 -3.768 -1.194 1.00 0.00 O ATOM 553 CB LYS A 34 -6.538 -0.822 -2.736 1.00 0.00 C ATOM 554 CG LYS A 34 -7.058 0.388 -1.975 1.00 0.00 C ATOM 555 CD LYS A 34 -7.754 1.398 -2.881 1.00 0.00 C ATOM 556 CE LYS A 34 -8.706 0.745 -3.873 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.763 -0.080 -3.224 1.00 0.00 N ATOM 0 H LYS A 34 -4.141 -0.541 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.589 -1.383 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.102 -0.491 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.375 -1.475 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.755 0.056 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.227 0.876 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.308 2.108 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.002 1.967 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.179 1.521 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.133 0.117 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.659 0.035 -3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.481 -1.081 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.888 0.229 -2.239 1.00 0.00 H new ATOM 571 N GLY A 35 -5.352 -3.659 -3.261 1.00 0.00 N ATOM 572 CA GLY A 35 -5.523 -5.081 -3.504 1.00 0.00 C ATOM 573 C GLY A 35 -4.711 -5.936 -2.547 1.00 0.00 C ATOM 574 O GLY A 35 -5.237 -6.870 -1.930 1.00 0.00 O ATOM 0 H GLY A 35 -4.931 -3.140 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.578 -5.338 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.229 -5.309 -4.529 1.00 0.00 H new ATOM 578 N GLU A 36 -3.439 -5.603 -2.400 1.00 0.00 N ATOM 579 CA GLU A 36 -2.543 -6.364 -1.543 1.00 0.00 C ATOM 580 C GLU A 36 -2.830 -6.100 -0.069 1.00 0.00 C ATOM 581 O GLU A 36 -2.426 -6.870 0.795 1.00 0.00 O ATOM 582 CB GLU A 36 -1.088 -6.038 -1.871 1.00 0.00 C ATOM 583 CG GLU A 36 -0.619 -6.597 -3.206 1.00 0.00 C ATOM 584 CD GLU A 36 -0.624 -8.117 -3.249 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.715 -8.716 -3.399 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.463 -8.726 -3.144 1.00 0.00 O ATOM 0 H GLU A 36 -3.002 -4.807 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.716 -7.423 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.960 -4.956 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.450 -6.431 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.261 -6.215 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.389 -6.237 -3.410 1.00 0.00 H new ATOM 593 N LEU A 37 -3.517 -5.005 0.214 1.00 0.00 N ATOM 594 CA LEU A 37 -3.898 -4.673 1.580 1.00 0.00 C ATOM 595 C LEU A 37 -5.170 -5.413 1.980 1.00 0.00 C ATOM 596 O LEU A 37 -5.301 -5.861 3.115 1.00 0.00 O ATOM 597 CB LEU A 37 -4.095 -3.163 1.730 1.00 0.00 C ATOM 598 CG LEU A 37 -4.448 -2.675 3.135 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.367 -3.075 4.129 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.630 -1.165 3.127 1.00 0.00 C ATOM 0 H LEU A 37 -3.824 -4.329 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.092 -4.987 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.181 -2.663 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.885 -2.849 1.048 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.383 -3.143 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.637 -2.718 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.272 -4.161 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.417 -2.633 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.881 -0.824 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.705 -0.689 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.435 -0.899 2.441 1.00 0.00 H new ATOM 612 N GLU A 38 -6.100 -5.559 1.041 1.00 0.00 N ATOM 613 CA GLU A 38 -7.368 -6.221 1.335 1.00 0.00 C ATOM 614 C GLU A 38 -7.204 -7.740 1.354 1.00 0.00 C ATOM 615 O GLU A 38 -8.069 -8.457 1.857 1.00 0.00 O ATOM 616 CB GLU A 38 -8.451 -5.808 0.334 1.00 0.00 C ATOM 617 CG GLU A 38 -8.216 -6.308 -1.078 1.00 0.00 C ATOM 618 CD GLU A 38 -9.289 -5.846 -2.035 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.432 -6.331 -1.928 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.998 -4.992 -2.894 1.00 0.00 O ATOM 0 H GLU A 38 -6.002 -5.232 0.080 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.684 -5.901 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.414 -6.180 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.517 -4.720 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.245 -5.958 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.180 -7.397 -1.074 1.00 0.00 H new ATOM 627 N LYS A 39 -6.103 -8.230 0.787 1.00 0.00 N ATOM 628 CA LYS A 39 -5.766 -9.647 0.900 1.00 0.00 C ATOM 629 C LYS A 39 -5.080 -9.906 2.243 1.00 0.00 C ATOM 630 O LYS A 39 -4.822 -11.052 2.620 1.00 0.00 O ATOM 631 CB LYS A 39 -4.884 -10.097 -0.281 1.00 0.00 C ATOM 632 CG LYS A 39 -3.519 -9.429 -0.332 1.00 0.00 C ATOM 633 CD LYS A 39 -2.437 -10.293 0.298 1.00 0.00 C ATOM 634 CE LYS A 39 -1.968 -11.383 -0.649 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.094 -10.846 -1.730 1.00 0.00 N ATOM 0 H LYS A 39 -5.436 -7.674 0.251 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.682 -10.237 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.745 -11.177 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.411 -9.891 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.257 -9.219 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.565 -8.471 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.590 -9.667 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.819 -10.745 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.424 -12.142 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.834 -11.874 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.810 -11.620 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.615 -10.128 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.246 -10.415 -1.309 1.00 0.00 H new ATOM 649 N ILE A 40 -4.793 -8.822 2.958 1.00 0.00 N ATOM 650 CA ILE A 40 -4.234 -8.898 4.300 1.00 0.00 C ATOM 651 C ILE A 40 -5.354 -8.836 5.330 1.00 0.00 C ATOM 652 O ILE A 40 -6.302 -8.063 5.180 1.00 0.00 O ATOM 653 CB ILE A 40 -3.234 -7.747 4.566 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.982 -7.924 3.715 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.861 -7.664 6.039 1.00 0.00 C ATOM 656 CD1 ILE A 40 -0.978 -6.809 3.877 1.00 0.00 C ATOM 0 H ILE A 40 -4.942 -7.870 2.623 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.699 -9.844 4.383 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.722 -6.812 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.507 -8.870 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.272 -7.991 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.157 -6.845 6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.758 -7.486 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.400 -8.601 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.114 -7.002 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.436 -5.863 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.659 -6.755 4.918 1.00 0.00 H new ATOM 668 N SER A 41 -5.252 -9.659 6.363 1.00 0.00 N ATOM 669 CA SER A 41 -6.241 -9.663 7.431 1.00 0.00 C ATOM 670 C SER A 41 -6.144 -8.379 8.257 1.00 0.00 C ATOM 671 O SER A 41 -5.064 -7.805 8.407 1.00 0.00 O ATOM 672 CB SER A 41 -6.039 -10.880 8.334 1.00 0.00 C ATOM 673 OG SER A 41 -5.993 -12.076 7.573 1.00 0.00 O ATOM 0 H SER A 41 -4.495 -10.332 6.485 1.00 0.00 H new ATOM 0 HA SER A 41 -7.233 -9.715 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.113 -10.768 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.850 -10.937 9.060 1.00 0.00 H new ATOM 0 HG SER A 41 -5.861 -12.840 8.172 1.00 0.00 H new ATOM 679 N PHE A 42 -7.268 -7.949 8.816 1.00 0.00 N ATOM 680 CA PHE A 42 -7.312 -6.714 9.591 1.00 0.00 C ATOM 681 C PHE A 42 -6.542 -6.864 10.897 1.00 0.00 C ATOM 682 O PHE A 42 -6.225 -5.879 11.561 1.00 0.00 O ATOM 683 CB PHE A 42 -8.759 -6.306 9.871 1.00 0.00 C ATOM 684 CG PHE A 42 -9.493 -5.827 8.646 1.00 0.00 C ATOM 685 CD1 PHE A 42 -10.163 -6.721 7.825 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.511 -4.479 8.318 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.836 -6.280 6.702 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.184 -4.035 7.195 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.847 -4.937 6.387 1.00 0.00 C ATOM 0 H PHE A 42 -8.161 -8.436 8.748 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.837 -5.929 9.002 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.293 -7.156 10.296 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.767 -5.516 10.622 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.159 -7.774 8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.994 -3.769 8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.354 -6.987 6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.191 -2.983 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.374 -4.592 5.510 1.00 0.00 H new ATOM 699 N SER A 43 -6.242 -8.100 11.256 1.00 0.00 N ATOM 700 CA SER A 43 -5.446 -8.380 12.436 1.00 0.00 C ATOM 701 C SER A 43 -3.952 -8.313 12.104 1.00 0.00 C ATOM 702 O SER A 43 -3.105 -8.274 12.997 1.00 0.00 O ATOM 703 CB SER A 43 -5.827 -9.756 12.990 1.00 0.00 C ATOM 704 OG SER A 43 -5.133 -10.057 14.190 1.00 0.00 O ATOM 0 H SER A 43 -6.540 -8.930 10.743 1.00 0.00 H new ATOM 0 HA SER A 43 -5.648 -7.626 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.901 -9.788 13.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.609 -10.520 12.244 1.00 0.00 H new ATOM 0 HG SER A 43 -5.405 -10.942 14.512 1.00 0.00 H new ATOM 710 N ASP A 44 -3.632 -8.288 10.810 1.00 0.00 N ATOM 711 CA ASP A 44 -2.241 -8.205 10.369 1.00 0.00 C ATOM 712 C ASP A 44 -1.855 -6.763 10.090 1.00 0.00 C ATOM 713 O ASP A 44 -0.736 -6.341 10.380 1.00 0.00 O ATOM 714 CB ASP A 44 -1.999 -9.036 9.110 1.00 0.00 C ATOM 715 CG ASP A 44 -2.065 -10.525 9.356 1.00 0.00 C ATOM 716 OD1 ASP A 44 -1.151 -11.066 10.012 1.00 0.00 O ATOM 717 OD2 ASP A 44 -3.016 -11.167 8.874 1.00 0.00 O ATOM 0 H ASP A 44 -4.314 -8.324 10.053 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.625 -8.603 11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.739 -8.766 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.021 -8.785 8.700 1.00 0.00 H new ATOM 722 N LEU A 45 -2.776 -6.010 9.503 1.00 0.00 N ATOM 723 CA LEU A 45 -2.527 -4.606 9.211 1.00 0.00 C ATOM 724 C LEU A 45 -2.546 -3.780 10.502 1.00 0.00 C ATOM 725 O LEU A 45 -3.279 -4.102 11.442 1.00 0.00 O ATOM 726 CB LEU A 45 -3.535 -4.079 8.171 1.00 0.00 C ATOM 727 CG LEU A 45 -5.019 -4.349 8.453 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.591 -3.322 9.415 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.810 -4.354 7.151 1.00 0.00 C ATOM 0 H LEU A 45 -3.697 -6.346 9.221 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.533 -4.507 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.397 -3.002 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.287 -4.517 7.204 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.101 -5.330 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.644 -3.539 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.045 -3.363 10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.495 -2.326 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.861 -4.547 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.711 -3.385 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.425 -5.134 6.494 1.00 0.00 H new ATOM 741 N PRO A 46 -1.718 -2.722 10.573 1.00 0.00 N ATOM 742 CA PRO A 46 -1.577 -1.898 11.784 1.00 0.00 C ATOM 743 C PRO A 46 -2.873 -1.202 12.203 1.00 0.00 C ATOM 744 O PRO A 46 -3.775 -0.995 11.386 1.00 0.00 O ATOM 745 CB PRO A 46 -0.521 -0.858 11.395 1.00 0.00 C ATOM 746 CG PRO A 46 -0.506 -0.854 9.906 1.00 0.00 C ATOM 747 CD PRO A 46 -0.844 -2.254 9.486 1.00 0.00 C ATOM 0 HA PRO A 46 -1.305 -2.512 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.774 0.126 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.457 -1.121 11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.230 -0.142 9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.472 -0.558 9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.352 -2.275 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.048 -2.873 9.390 1.00 0.00 H new ATOM 755 N LEU A 47 -2.935 -0.820 13.480 1.00 0.00 N ATOM 756 CA LEU A 47 -4.109 -0.170 14.068 1.00 0.00 C ATOM 757 C LEU A 47 -4.553 1.043 13.252 1.00 0.00 C ATOM 758 O LEU A 47 -5.747 1.334 13.157 1.00 0.00 O ATOM 759 CB LEU A 47 -3.794 0.258 15.503 1.00 0.00 C ATOM 760 CG LEU A 47 -4.948 0.925 16.251 1.00 0.00 C ATOM 761 CD1 LEU A 47 -6.047 -0.086 16.543 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.451 1.562 17.537 1.00 0.00 C ATOM 0 H LEU A 47 -2.168 -0.953 14.139 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.928 -0.890 14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.477 -0.620 16.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.949 0.946 15.483 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.363 1.710 15.618 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.861 0.405 17.076 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.422 -0.496 15.606 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.646 -0.892 17.157 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.286 2.032 18.056 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.011 0.796 18.176 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.699 2.315 17.303 1.00 0.00 H new ATOM 774 N GLU A 48 -3.585 1.742 12.667 1.00 0.00 N ATOM 775 CA GLU A 48 -3.861 2.890 11.809 1.00 0.00 C ATOM 776 C GLU A 48 -4.889 2.538 10.738 1.00 0.00 C ATOM 777 O GLU A 48 -5.879 3.248 10.551 1.00 0.00 O ATOM 778 CB GLU A 48 -2.568 3.367 11.145 1.00 0.00 C ATOM 779 CG GLU A 48 -1.586 4.004 12.114 1.00 0.00 C ATOM 780 CD GLU A 48 -2.053 5.363 12.582 1.00 0.00 C ATOM 781 OE1 GLU A 48 -2.815 5.433 13.572 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.668 6.370 11.957 1.00 0.00 O ATOM 0 H GLU A 48 -2.593 1.531 12.773 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.269 3.688 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.086 2.520 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.814 4.087 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.451 3.350 12.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.613 4.101 11.633 1.00 0.00 H new ATOM 789 N LEU A 49 -4.672 1.410 10.080 1.00 0.00 N ATOM 790 CA LEU A 49 -5.502 1.011 8.956 1.00 0.00 C ATOM 791 C LEU A 49 -6.821 0.421 9.447 1.00 0.00 C ATOM 792 O LEU A 49 -7.777 0.291 8.687 1.00 0.00 O ATOM 793 CB LEU A 49 -4.757 0.000 8.081 1.00 0.00 C ATOM 794 CG LEU A 49 -3.332 0.405 7.687 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.752 -0.584 6.690 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.301 1.814 7.115 1.00 0.00 C ATOM 0 H LEU A 49 -3.925 0.753 10.307 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.723 1.894 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.714 -0.952 8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.335 -0.166 7.172 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.719 0.392 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.740 -0.280 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.726 -1.578 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.373 -0.605 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.278 2.074 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.934 1.861 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.669 2.518 7.861 1.00 0.00 H new ATOM 808 N GLN A 50 -6.871 0.078 10.728 1.00 0.00 N ATOM 809 CA GLN A 50 -8.094 -0.446 11.324 1.00 0.00 C ATOM 810 C GLN A 50 -9.081 0.686 11.565 1.00 0.00 C ATOM 811 O GLN A 50 -10.296 0.501 11.469 1.00 0.00 O ATOM 812 CB GLN A 50 -7.809 -1.158 12.650 1.00 0.00 C ATOM 813 CG GLN A 50 -6.748 -2.239 12.559 1.00 0.00 C ATOM 814 CD GLN A 50 -6.595 -3.011 13.855 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.856 -2.493 14.939 1.00 0.00 O ATOM 816 NE2 GLN A 50 -6.165 -4.254 13.755 1.00 0.00 N ATOM 0 H GLN A 50 -6.083 0.153 11.372 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.519 -1.169 10.628 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.496 -0.418 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.734 -1.602 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.005 -2.930 11.756 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.793 -1.785 12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.959 -4.650 12.838 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.039 -4.819 14.595 1.00 0.00 H new ATOM 825 N LYS A 51 -8.550 1.860 11.874 1.00 0.00 N ATOM 826 CA LYS A 51 -9.384 3.012 12.175 1.00 0.00 C ATOM 827 C LYS A 51 -9.747 3.769 10.908 1.00 0.00 C ATOM 828 O LYS A 51 -10.746 4.490 10.876 1.00 0.00 O ATOM 829 CB LYS A 51 -8.683 3.938 13.169 1.00 0.00 C ATOM 830 CG LYS A 51 -8.432 3.289 14.521 1.00 0.00 C ATOM 831 CD LYS A 51 -9.717 2.723 15.102 1.00 0.00 C ATOM 832 CE LYS A 51 -9.464 1.939 16.380 1.00 0.00 C ATOM 833 NZ LYS A 51 -10.688 1.229 16.842 1.00 0.00 N ATOM 0 H LYS A 51 -7.547 2.039 11.923 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.306 2.650 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.731 4.260 12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.288 4.833 13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.695 2.493 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.011 4.023 15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.412 3.537 15.307 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.193 2.075 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.666 1.216 16.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.120 2.617 17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.477 0.706 17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.442 1.921 17.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.002 0.564 16.107 1.00 0.00 H new ATOM 847 N LEU A 52 -8.937 3.615 9.870 1.00 0.00 N ATOM 848 CA LEU A 52 -9.246 4.211 8.579 1.00 0.00 C ATOM 849 C LEU A 52 -10.321 3.394 7.874 1.00 0.00 C ATOM 850 O LEU A 52 -10.061 2.296 7.381 1.00 0.00 O ATOM 851 CB LEU A 52 -7.990 4.305 7.717 1.00 0.00 C ATOM 852 CG LEU A 52 -6.898 5.211 8.282 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.647 5.140 7.423 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.403 6.642 8.387 1.00 0.00 C ATOM 0 H LEU A 52 -8.066 3.085 9.896 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.622 5.221 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.580 3.304 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.270 4.669 6.728 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.640 4.864 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.881 5.792 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.278 4.114 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.883 5.462 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.615 7.277 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.687 7.001 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.270 6.674 9.047 1.00 0.00 H new ATOM 866 N ASP A 53 -11.530 3.939 7.836 1.00 0.00 N ATOM 867 CA ASP A 53 -12.692 3.224 7.316 1.00 0.00 C ATOM 868 C ASP A 53 -12.593 3.016 5.807 1.00 0.00 C ATOM 869 O ASP A 53 -13.192 2.095 5.255 1.00 0.00 O ATOM 870 CB ASP A 53 -13.973 3.993 7.646 1.00 0.00 C ATOM 871 CG ASP A 53 -14.233 5.153 6.699 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.356 6.035 6.568 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.315 5.181 6.077 1.00 0.00 O ATOM 0 H ASP A 53 -11.734 4.884 8.162 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.719 2.244 7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.820 3.308 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.910 4.372 8.666 1.00 0.00 H new ATOM 878 N SER A 54 -11.830 3.870 5.149 1.00 0.00 N ATOM 879 CA SER A 54 -11.694 3.815 3.706 1.00 0.00 C ATOM 880 C SER A 54 -10.393 3.117 3.324 1.00 0.00 C ATOM 881 O SER A 54 -9.326 3.460 3.837 1.00 0.00 O ATOM 882 CB SER A 54 -11.728 5.234 3.138 1.00 0.00 C ATOM 883 OG SER A 54 -12.865 5.947 3.614 1.00 0.00 O ATOM 0 H SER A 54 -11.293 4.614 5.595 1.00 0.00 H new ATOM 0 HA SER A 54 -12.522 3.244 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.818 5.764 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.750 5.193 2.049 1.00 0.00 H new ATOM 0 HG SER A 54 -12.816 6.027 4.589 1.00 0.00 H new ATOM 889 N LEU A 55 -10.486 2.136 2.429 1.00 0.00 N ATOM 890 CA LEU A 55 -9.320 1.366 2.001 1.00 0.00 C ATOM 891 C LEU A 55 -8.287 2.254 1.294 1.00 0.00 C ATOM 892 O LEU A 55 -7.095 2.151 1.580 1.00 0.00 O ATOM 893 CB LEU A 55 -9.731 0.201 1.090 1.00 0.00 C ATOM 894 CG LEU A 55 -8.668 -0.885 0.899 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.295 -1.510 2.234 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.165 -1.950 -0.063 1.00 0.00 C ATOM 0 H LEU A 55 -11.360 1.855 1.985 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.857 0.957 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.629 -0.261 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.997 0.602 0.112 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.777 -0.422 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.539 -2.279 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.899 -0.741 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.180 -1.958 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.398 -2.714 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.071 -2.407 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.384 -1.494 -1.029 1.00 0.00 H new ATOM 908 N PRO A 56 -8.707 3.134 0.350 1.00 0.00 N ATOM 909 CA PRO A 56 -7.788 4.086 -0.289 1.00 0.00 C ATOM 910 C PRO A 56 -7.048 4.954 0.727 1.00 0.00 C ATOM 911 O PRO A 56 -5.860 5.226 0.572 1.00 0.00 O ATOM 912 CB PRO A 56 -8.698 4.948 -1.175 1.00 0.00 C ATOM 913 CG PRO A 56 -10.090 4.658 -0.725 1.00 0.00 C ATOM 914 CD PRO A 56 -10.069 3.254 -0.205 1.00 0.00 C ATOM 0 HA PRO A 56 -7.005 3.572 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.463 6.007 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.567 4.701 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.403 5.357 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.796 4.759 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.832 3.093 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.249 2.526 -0.996 1.00 0.00 H new ATOM 922 N ALA A 57 -7.752 5.370 1.776 1.00 0.00 N ATOM 923 CA ALA A 57 -7.156 6.187 2.828 1.00 0.00 C ATOM 924 C ALA A 57 -6.034 5.431 3.530 1.00 0.00 C ATOM 925 O ALA A 57 -5.011 6.012 3.892 1.00 0.00 O ATOM 926 CB ALA A 57 -8.216 6.615 3.831 1.00 0.00 C ATOM 0 H ALA A 57 -8.738 5.154 1.920 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.731 7.079 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.756 7.224 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.984 7.197 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.669 5.732 4.281 1.00 0.00 H new ATOM 932 N GLN A 58 -6.235 4.131 3.711 1.00 0.00 N ATOM 933 CA GLN A 58 -5.225 3.273 4.318 1.00 0.00 C ATOM 934 C GLN A 58 -3.970 3.236 3.451 1.00 0.00 C ATOM 935 O GLN A 58 -2.863 3.519 3.921 1.00 0.00 O ATOM 936 CB GLN A 58 -5.765 1.854 4.488 1.00 0.00 C ATOM 937 CG GLN A 58 -7.005 1.761 5.358 1.00 0.00 C ATOM 938 CD GLN A 58 -7.521 0.340 5.476 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.755 -0.620 5.436 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.826 0.196 5.618 1.00 0.00 N ATOM 0 H GLN A 58 -7.092 3.647 3.445 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.974 3.681 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.993 1.444 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.984 1.229 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.778 2.146 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.787 2.396 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.430 1.018 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.230 -0.737 5.699 1.00 0.00 H new ATOM 949 N ALA A 59 -4.160 2.900 2.182 1.00 0.00 N ATOM 950 CA ALA A 59 -3.059 2.786 1.235 1.00 0.00 C ATOM 951 C ALA A 59 -2.355 4.127 1.037 1.00 0.00 C ATOM 952 O ALA A 59 -1.129 4.188 0.950 1.00 0.00 O ATOM 953 CB ALA A 59 -3.566 2.245 -0.095 1.00 0.00 C ATOM 0 H ALA A 59 -5.077 2.700 1.782 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.329 2.088 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.735 2.164 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.009 1.261 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.317 2.922 -0.501 1.00 0.00 H new ATOM 959 N GLN A 60 -3.135 5.199 0.985 1.00 0.00 N ATOM 960 CA GLN A 60 -2.589 6.535 0.801 1.00 0.00 C ATOM 961 C GLN A 60 -1.732 6.928 2.002 1.00 0.00 C ATOM 962 O GLN A 60 -0.704 7.583 1.851 1.00 0.00 O ATOM 963 CB GLN A 60 -3.715 7.553 0.595 1.00 0.00 C ATOM 964 CG GLN A 60 -3.226 8.933 0.180 1.00 0.00 C ATOM 965 CD GLN A 60 -2.430 8.904 -1.111 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.650 8.057 -1.974 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.501 9.833 -1.259 1.00 0.00 N ATOM 0 H GLN A 60 -4.151 5.168 1.068 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.961 6.531 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.399 7.176 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.285 7.643 1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.082 9.597 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.608 9.350 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.345 10.521 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.940 9.862 -2.110 1.00 0.00 H new ATOM 976 N HIS A 61 -2.156 6.511 3.196 1.00 0.00 N ATOM 977 CA HIS A 61 -1.391 6.778 4.414 1.00 0.00 C ATOM 978 C HIS A 61 -0.019 6.121 4.326 1.00 0.00 C ATOM 979 O HIS A 61 0.980 6.693 4.763 1.00 0.00 O ATOM 980 CB HIS A 61 -2.129 6.267 5.657 1.00 0.00 C ATOM 981 CG HIS A 61 -1.445 6.610 6.951 1.00 0.00 C ATOM 982 ND1 HIS A 61 -0.454 5.829 7.520 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.615 7.657 7.790 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.055 6.384 8.650 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.741 7.492 8.836 1.00 0.00 N ATOM 0 H HIS A 61 -3.020 5.990 3.345 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.273 7.858 4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.136 6.684 5.667 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.233 5.184 5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.089 4.961 7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.311 8.473 7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.706 5.995 9.310 1.00 0.00 H new ATOM 994 N LEU A 62 0.016 4.918 3.762 1.00 0.00 N ATOM 995 CA LEU A 62 1.269 4.196 3.560 1.00 0.00 C ATOM 996 C LEU A 62 2.212 5.010 2.678 1.00 0.00 C ATOM 997 O LEU A 62 3.375 5.243 3.030 1.00 0.00 O ATOM 998 CB LEU A 62 0.994 2.832 2.917 1.00 0.00 C ATOM 999 CG LEU A 62 0.097 1.893 3.730 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.225 0.642 2.929 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.762 1.520 5.046 1.00 0.00 C ATOM 0 H LEU A 62 -0.812 4.420 3.435 1.00 0.00 H new ATOM 0 HA LEU A 62 1.743 4.040 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.533 2.995 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.947 2.334 2.740 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.834 2.416 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.863 -0.015 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.743 0.921 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.700 0.121 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.108 0.853 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.708 1.017 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.947 2.422 5.629 1.00 0.00 H new ATOM 1013 N ILE A 63 1.686 5.451 1.542 1.00 0.00 N ATOM 1014 CA ILE A 63 2.439 6.264 0.596 1.00 0.00 C ATOM 1015 C ILE A 63 2.885 7.568 1.247 1.00 0.00 C ATOM 1016 O ILE A 63 4.054 7.949 1.173 1.00 0.00 O ATOM 1017 CB ILE A 63 1.584 6.610 -0.643 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.987 5.345 -1.259 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.416 7.360 -1.672 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.015 5.617 -2.393 1.00 0.00 C ATOM 0 H ILE A 63 0.728 5.256 1.251 1.00 0.00 H new ATOM 0 HA ILE A 63 3.308 5.681 0.290 1.00 0.00 H new ATOM 0 HB ILE A 63 0.765 7.254 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.796 4.715 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.474 4.780 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.798 7.596 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.792 8.284 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.256 6.739 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.367 4.672 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.815 6.220 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.528 6.154 -3.191 1.00 0.00 H new ATOM 1032 N ASP A 64 1.935 8.230 1.890 1.00 0.00 N ATOM 1033 CA ASP A 64 2.158 9.538 2.488 1.00 0.00 C ATOM 1034 C ASP A 64 3.223 9.486 3.576 1.00 0.00 C ATOM 1035 O ASP A 64 4.169 10.278 3.562 1.00 0.00 O ATOM 1036 CB ASP A 64 0.850 10.081 3.057 1.00 0.00 C ATOM 1037 CG ASP A 64 1.003 11.464 3.649 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.290 12.414 2.888 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.820 11.612 4.871 1.00 0.00 O ATOM 0 H ASP A 64 0.987 7.875 2.012 1.00 0.00 H new ATOM 0 HA ASP A 64 2.518 10.206 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.099 10.109 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.481 9.400 3.824 1.00 0.00 H new ATOM 1044 N THR A 65 3.080 8.555 4.509 1.00 0.00 N ATOM 1045 CA THR A 65 4.045 8.417 5.584 1.00 0.00 C ATOM 1046 C THR A 65 3.894 7.077 6.312 1.00 0.00 C ATOM 1047 O THR A 65 3.257 6.977 7.362 1.00 0.00 O ATOM 1048 CB THR A 65 3.965 9.608 6.577 1.00 0.00 C ATOM 1049 OG1 THR A 65 4.882 9.420 7.663 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.551 9.801 7.120 1.00 0.00 C ATOM 0 H THR A 65 2.308 7.889 4.541 1.00 0.00 H new ATOM 0 HA THR A 65 5.036 8.432 5.130 1.00 0.00 H new ATOM 0 HB THR A 65 4.239 10.507 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.820 10.180 8.279 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.538 10.644 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.868 9.999 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.236 8.898 7.643 1.00 0.00 H new ATOM 1058 N SER A 66 4.425 6.030 5.701 1.00 0.00 N ATOM 1059 CA SER A 66 4.557 4.739 6.361 1.00 0.00 C ATOM 1060 C SER A 66 5.762 3.995 5.794 1.00 0.00 C ATOM 1061 O SER A 66 6.514 4.544 4.982 1.00 0.00 O ATOM 1062 CB SER A 66 3.280 3.906 6.198 1.00 0.00 C ATOM 1063 OG SER A 66 2.161 4.577 6.761 1.00 0.00 O ATOM 0 H SER A 66 4.774 6.049 4.743 1.00 0.00 H new ATOM 0 HA SER A 66 4.710 4.904 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.099 3.713 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.409 2.937 6.681 1.00 0.00 H new ATOM 0 HG SER A 66 2.454 5.423 7.160 1.00 0.00 H new ATOM 1069 N CYS A 67 5.953 2.759 6.223 1.00 0.00 N ATOM 1070 CA CYS A 67 7.069 1.955 5.752 1.00 0.00 C ATOM 1071 C CYS A 67 6.584 0.960 4.699 1.00 0.00 C ATOM 1072 O CYS A 67 5.646 1.248 3.959 1.00 0.00 O ATOM 1073 CB CYS A 67 7.721 1.234 6.934 1.00 0.00 C ATOM 1074 SG CYS A 67 8.372 2.351 8.198 1.00 0.00 S ATOM 0 H CYS A 67 5.349 2.289 6.898 1.00 0.00 H new ATOM 0 HA CYS A 67 7.816 2.601 5.290 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.988 0.569 7.392 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.532 0.607 6.563 1.00 0.00 H new ATOM 0 HG CYS A 67 8.903 1.656 9.160 1.00 0.00 H new ATOM 1080 N GLU A 68 7.203 -0.208 4.642 1.00 0.00 N ATOM 1081 CA GLU A 68 6.890 -1.180 3.606 1.00 0.00 C ATOM 1082 C GLU A 68 5.832 -2.159 4.095 1.00 0.00 C ATOM 1083 O GLU A 68 5.575 -2.262 5.297 1.00 0.00 O ATOM 1084 CB GLU A 68 8.155 -1.931 3.192 1.00 0.00 C ATOM 1085 CG GLU A 68 8.843 -2.636 4.349 1.00 0.00 C ATOM 1086 CD GLU A 68 10.128 -3.316 3.935 1.00 0.00 C ATOM 1087 OE1 GLU A 68 10.078 -4.497 3.542 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.196 -2.671 4.007 1.00 0.00 O ATOM 0 H GLU A 68 7.924 -0.506 5.299 1.00 0.00 H new ATOM 0 HA GLU A 68 6.495 -0.650 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.899 -2.666 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.853 -1.229 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.057 -1.912 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.165 -3.376 4.773 1.00 0.00 H new ATOM 1095 N LEU A 69 5.229 -2.876 3.163 1.00 0.00 N ATOM 1096 CA LEU A 69 4.088 -3.724 3.473 1.00 0.00 C ATOM 1097 C LEU A 69 4.365 -5.178 3.104 1.00 0.00 C ATOM 1098 O LEU A 69 4.597 -5.494 1.939 1.00 0.00 O ATOM 1099 CB LEU A 69 2.857 -3.217 2.706 1.00 0.00 C ATOM 1100 CG LEU A 69 1.532 -3.915 3.028 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.112 -3.637 4.461 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.443 -3.467 2.062 1.00 0.00 C ATOM 0 H LEU A 69 5.510 -2.889 2.183 1.00 0.00 H new ATOM 0 HA LEU A 69 3.903 -3.679 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.742 -2.152 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.050 -3.322 1.638 1.00 0.00 H new ATOM 0 HG LEU A 69 1.678 -4.989 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.169 -4.142 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.878 -4.006 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.987 -2.563 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.491 -3.973 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.304 -2.389 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.736 -3.717 1.042 1.00 0.00 H new ATOM 1114 N ASP A 70 4.367 -6.057 4.097 1.00 0.00 N ATOM 1115 CA ASP A 70 4.434 -7.489 3.826 1.00 0.00 C ATOM 1116 C ASP A 70 3.082 -7.942 3.302 1.00 0.00 C ATOM 1117 O ASP A 70 2.082 -7.887 4.017 1.00 0.00 O ATOM 1118 CB ASP A 70 4.803 -8.287 5.081 1.00 0.00 C ATOM 1119 CG ASP A 70 5.059 -9.762 4.790 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.164 -10.447 4.250 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.164 -10.250 5.108 1.00 0.00 O ATOM 0 H ASP A 70 4.324 -5.810 5.086 1.00 0.00 H new ATOM 0 HA ASP A 70 5.213 -7.671 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.693 -7.851 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.998 -8.200 5.811 1.00 0.00 H new ATOM 1126 N VAL A 71 3.053 -8.376 2.059 1.00 0.00 N ATOM 1127 CA VAL A 71 1.798 -8.676 1.395 1.00 0.00 C ATOM 1128 C VAL A 71 1.632 -10.168 1.152 1.00 0.00 C ATOM 1129 O VAL A 71 0.880 -10.590 0.271 1.00 0.00 O ATOM 1130 CB VAL A 71 1.682 -7.906 0.067 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.433 -6.432 0.332 1.00 0.00 C ATOM 1132 CG2 VAL A 71 2.939 -8.082 -0.762 1.00 0.00 C ATOM 0 H VAL A 71 3.883 -8.529 1.487 1.00 0.00 H new ATOM 0 HA VAL A 71 0.997 -8.353 2.060 1.00 0.00 H new ATOM 0 HB VAL A 71 0.838 -8.310 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.353 -5.900 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.506 -6.315 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.261 -6.021 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.838 -7.531 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.797 -7.702 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.087 -9.140 -0.979 1.00 0.00 H new ATOM 1142 N GLY A 72 2.327 -10.965 1.948 1.00 0.00 N ATOM 1143 CA GLY A 72 2.156 -12.401 1.890 1.00 0.00 C ATOM 1144 C GLY A 72 2.987 -13.052 0.806 1.00 0.00 C ATOM 1145 O GLY A 72 3.647 -12.369 0.022 1.00 0.00 O ATOM 0 H GLY A 72 3.008 -10.642 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.424 -12.833 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.104 -12.630 1.720 1.00 0.00 H new ATOM 1149 N ALA A 73 2.960 -14.385 0.782 1.00 0.00 N ATOM 1150 CA ALA A 73 3.657 -15.182 -0.228 1.00 0.00 C ATOM 1151 C ALA A 73 5.168 -15.007 -0.141 1.00 0.00 C ATOM 1152 O ALA A 73 5.896 -15.335 -1.079 1.00 0.00 O ATOM 1153 CB ALA A 73 3.154 -14.837 -1.626 1.00 0.00 C ATOM 0 H ALA A 73 2.451 -14.945 1.466 1.00 0.00 H new ATOM 0 HA ALA A 73 3.437 -16.231 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.685 -15.440 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.086 -15.043 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.332 -13.780 -1.826 1.00 0.00 H new ATOM 1159 N GLY A 74 5.639 -14.509 0.998 1.00 0.00 N ATOM 1160 CA GLY A 74 7.056 -14.269 1.173 1.00 0.00 C ATOM 1161 C GLY A 74 7.516 -13.065 0.380 1.00 0.00 C ATOM 1162 O GLY A 74 8.713 -12.848 0.197 1.00 0.00 O ATOM 0 H GLY A 74 5.061 -14.268 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.272 -14.114 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.617 -15.149 0.859 1.00 0.00 H new ATOM 1166 N LYS A 75 6.558 -12.284 -0.089 1.00 0.00 N ATOM 1167 CA LYS A 75 6.844 -11.130 -0.911 1.00 0.00 C ATOM 1168 C LYS A 75 6.591 -9.849 -0.132 1.00 0.00 C ATOM 1169 O LYS A 75 5.497 -9.627 0.391 1.00 0.00 O ATOM 1170 CB LYS A 75 5.977 -11.159 -2.173 1.00 0.00 C ATOM 1171 CG LYS A 75 6.180 -9.958 -3.086 1.00 0.00 C ATOM 1172 CD LYS A 75 5.115 -9.881 -4.169 1.00 0.00 C ATOM 1173 CE LYS A 75 3.736 -9.658 -3.571 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.717 -9.318 -4.599 1.00 0.00 N ATOM 0 H LYS A 75 5.565 -12.434 0.091 1.00 0.00 H new ATOM 0 HA LYS A 75 7.894 -11.158 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.195 -12.069 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.928 -11.208 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.161 -9.044 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.165 -10.017 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.351 -9.069 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.117 -10.803 -4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.425 -10.557 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.788 -8.855 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.773 -9.309 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.924 -8.379 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.740 -10.028 -5.359 1.00 0.00 H new ATOM 1188 N TYR A 76 7.610 -9.022 -0.042 1.00 0.00 N ATOM 1189 CA TYR A 76 7.477 -7.718 0.572 1.00 0.00 C ATOM 1190 C TYR A 76 7.173 -6.688 -0.501 1.00 0.00 C ATOM 1191 O TYR A 76 7.760 -6.720 -1.586 1.00 0.00 O ATOM 1192 CB TYR A 76 8.760 -7.332 1.315 1.00 0.00 C ATOM 1193 CG TYR A 76 9.132 -8.273 2.441 1.00 0.00 C ATOM 1194 CD1 TYR A 76 8.607 -8.103 3.716 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.009 -9.331 2.230 1.00 0.00 C ATOM 1196 CE1 TYR A 76 8.944 -8.959 4.747 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.350 -10.192 3.257 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.815 -10.002 4.512 1.00 0.00 C ATOM 1199 OH TYR A 76 10.152 -10.861 5.540 1.00 0.00 O ATOM 0 H TYR A 76 8.546 -9.231 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 76 6.662 -7.751 1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.583 -7.295 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.644 -6.327 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.924 -7.288 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.431 -9.483 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.527 -8.812 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.032 -11.009 3.076 1.00 0.00 H new ATOM 0 HH TYR A 76 10.774 -11.541 5.207 1.00 0.00 H new ATOM 1209 N LEU A 77 6.241 -5.800 -0.218 1.00 0.00 N ATOM 1210 CA LEU A 77 5.909 -4.742 -1.147 1.00 0.00 C ATOM 1211 C LEU A 77 6.672 -3.480 -0.771 1.00 0.00 C ATOM 1212 O LEU A 77 6.430 -2.877 0.279 1.00 0.00 O ATOM 1213 CB LEU A 77 4.399 -4.490 -1.150 1.00 0.00 C ATOM 1214 CG LEU A 77 3.893 -3.524 -2.225 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.286 -4.014 -3.610 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.383 -3.364 -2.123 1.00 0.00 C ATOM 0 H LEU A 77 5.701 -5.791 0.647 1.00 0.00 H new ATOM 0 HA LEU A 77 6.199 -5.040 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.889 -5.445 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.111 -4.102 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 77 4.356 -2.551 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.918 -3.315 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.372 -4.081 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.850 -4.998 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.037 -2.675 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.904 -4.333 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.124 -2.969 -1.140 1.00 0.00 H new ATOM 1228 N GLN A 78 7.609 -3.104 -1.622 1.00 0.00 N ATOM 1229 CA GLN A 78 8.427 -1.932 -1.385 1.00 0.00 C ATOM 1230 C GLN A 78 8.181 -0.899 -2.476 1.00 0.00 C ATOM 1231 O GLN A 78 8.200 -1.230 -3.663 1.00 0.00 O ATOM 1232 CB GLN A 78 9.908 -2.327 -1.376 1.00 0.00 C ATOM 1233 CG GLN A 78 10.850 -1.172 -1.075 1.00 0.00 C ATOM 1234 CD GLN A 78 10.950 -0.862 0.403 1.00 0.00 C ATOM 1235 OE1 GLN A 78 11.123 0.291 0.800 1.00 0.00 O ATOM 1236 NE2 GLN A 78 10.873 -1.892 1.227 1.00 0.00 N ATOM 0 H GLN A 78 7.822 -3.598 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 78 8.162 -1.503 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.061 -3.111 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.167 -2.751 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.842 -1.410 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.508 -0.283 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.729 -2.832 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.958 -1.748 2.233 1.00 0.00 H new ATOM 1245 N TRP A 79 7.948 0.343 -2.083 1.00 0.00 N ATOM 1246 CA TRP A 79 7.796 1.413 -3.047 1.00 0.00 C ATOM 1247 C TRP A 79 8.715 2.569 -2.693 1.00 0.00 C ATOM 1248 O TRP A 79 8.762 3.018 -1.548 1.00 0.00 O ATOM 1249 CB TRP A 79 6.334 1.876 -3.149 1.00 0.00 C ATOM 1250 CG TRP A 79 5.737 2.380 -1.865 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.653 3.681 -1.456 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.124 1.597 -0.835 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.027 3.752 -0.237 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.692 2.489 0.165 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.893 0.232 -0.662 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.053 2.058 1.320 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.256 -0.195 0.487 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.838 0.716 1.463 1.00 0.00 C ATOM 0 H TRP A 79 7.861 0.631 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 79 8.080 1.032 -4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.270 2.666 -3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.730 1.045 -3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.025 4.529 -2.011 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.842 4.609 0.285 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.207 -0.478 -1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.737 2.759 2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.078 -1.250 0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.336 0.352 2.347 1.00 0.00 H new ATOM 1269 N TYR A 80 9.471 3.017 -3.674 1.00 0.00 N ATOM 1270 CA TYR A 80 10.383 4.128 -3.485 1.00 0.00 C ATOM 1271 C TYR A 80 9.845 5.380 -4.146 1.00 0.00 C ATOM 1272 O TYR A 80 9.563 5.380 -5.347 1.00 0.00 O ATOM 1273 CB TYR A 80 11.756 3.803 -4.075 1.00 0.00 C ATOM 1274 CG TYR A 80 12.724 3.173 -3.104 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.634 1.830 -2.767 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.735 3.930 -2.533 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.530 1.258 -1.883 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.633 3.369 -1.651 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.527 2.035 -1.327 1.00 0.00 C ATOM 1280 OH TYR A 80 15.422 1.477 -0.444 1.00 0.00 O ATOM 0 H TYR A 80 9.472 2.626 -4.616 1.00 0.00 H new ATOM 0 HA TYR A 80 10.480 4.299 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.623 3.131 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.197 4.721 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.853 1.223 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.820 4.977 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.451 0.211 -1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.416 3.973 -1.216 1.00 0.00 H new ATOM 0 HH TYR A 80 16.059 2.161 -0.148 1.00 0.00 H new ATOM 1290 N ALA A 81 9.687 6.440 -3.371 1.00 0.00 N ATOM 1291 CA ALA A 81 9.361 7.724 -3.946 1.00 0.00 C ATOM 1292 C ALA A 81 10.621 8.323 -4.541 1.00 0.00 C ATOM 1293 O ALA A 81 11.548 8.689 -3.814 1.00 0.00 O ATOM 1294 CB ALA A 81 8.768 8.649 -2.897 1.00 0.00 C ATOM 0 H ALA A 81 9.779 6.433 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 81 8.613 7.595 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.530 9.610 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.859 8.204 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.489 8.797 -2.093 1.00 0.00 H new ATOM 1300 N VAL A 82 10.658 8.409 -5.857 1.00 0.00 N ATOM 1301 CA VAL A 82 11.834 8.899 -6.555 1.00 0.00 C ATOM 1302 C VAL A 82 11.427 9.772 -7.732 1.00 0.00 C ATOM 1303 O VAL A 82 11.016 9.283 -8.780 1.00 0.00 O ATOM 1304 CB VAL A 82 12.739 7.735 -7.042 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.532 7.150 -5.886 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.921 6.635 -7.705 1.00 0.00 C ATOM 0 H VAL A 82 9.885 8.145 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 82 12.410 9.496 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 82 13.428 8.147 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.159 6.336 -6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.161 7.925 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.846 6.769 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.585 5.836 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.200 6.237 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.391 7.044 -8.565 1.00 0.00 H new