USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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: B 14 LYS NZ :NH3+ 179:sc= 0.301! (180deg=-0.941!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.68 K(o=2.8,f=-9!) USER MOD Set 1.3: B 84 THR OG1 : rot 63:sc= 0.862 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -3.79! C(o=-3.7!,f=-6.1!) USER MOD Set 2.2: B 75 THR OG1 : rot -148:sc= 0.0376 USER MOD Set 3.1: B 66 GLN : amide:sc= -1.82 K(o=-3,f=-4.1!) USER MOD Set 3.2: B 76 ASN : amide:sc= -1.22 X(o=-3,f=-3.3) USER MOD Set 4.1: B 13 LYS NZ :NH3+ -169:sc= 0.857 (180deg=0) USER MOD Set 4.2: B 25 TYR OH : rot 180:sc= 0.761 USER MOD Single : B 17 GLN : amide:sc= 0.0986 K(o=0.099,f=-5.4!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= -0.117 (180deg=-0.285) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.0327 F(o=-1.3!,f=-0.033) USER MOD Single : B 27 MET CE :methyl -116:sc= -0.22 (180deg=-2.71!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -135:sc= -0.204 (180deg=-1.1) USER MOD Single : B 47 TYR OH : rot 165:sc= 1.2 USER MOD Single : B 51 LYS NZ :NH3+ 173:sc= 2.11 (180deg=2) USER MOD Single : B 52 CYS SG : rot 80:sc= -3.44! USER MOD Single : B 53 GLN : amide:sc= -5.86! C(o=-5.9!,f=-12!) USER MOD Single : B 54 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.08) USER MOD Single : B 56 SER OG : rot 161:sc= -1.47 USER MOD Single : B 60 LYS NZ :NH3+ 163:sc= 0.338 (180deg=-1.13!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN :FLIP amide:sc= -2.22 F(o=-3!,f=-2.2) USER MOD Single : B 70 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-7.3!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.06 F(o=-3.5!,f=-2.1) USER MOD Single : B 80 SER OG : rot 21:sc= -0.222 USER MOD Single : B 83 SER OG : rot 79:sc= 1.31 USER MOD Single : B 87 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 148:sc= -0.583 (180deg=-1.14!) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.11 F(o=-3.4!,f=-2.1) USER MOD Single : B 98 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.23) USER MOD Single : B 102 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.444) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.502 5.009 13.810 1.00 0.00 N ATOM 340 CA ASP A 132 3.140 5.496 13.894 1.00 0.00 C ATOM 341 C ASP A 132 2.380 5.161 12.637 1.00 0.00 C ATOM 342 O ASP A 132 2.211 5.991 11.745 1.00 0.00 O ATOM 343 CB ASP A 132 3.129 6.985 14.099 1.00 0.00 C ATOM 344 CG ASP A 132 1.793 7.506 14.593 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.811 7.440 13.823 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.731 8.012 15.723 1.00 0.00 O ATOM 0 HA ASP A 132 2.659 5.011 14.743 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.905 7.253 14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.380 7.477 13.159 1.00 0.00 H new ATOM 351 N TRP A 133 1.986 3.926 12.545 1.00 0.00 N ATOM 352 CA TRP A 133 1.219 3.459 11.414 1.00 0.00 C ATOM 353 C TRP A 133 0.011 2.682 11.898 1.00 0.00 C ATOM 354 O TRP A 133 0.116 1.894 12.837 1.00 0.00 O ATOM 355 CB TRP A 133 2.029 2.511 10.524 1.00 0.00 C ATOM 356 CG TRP A 133 3.443 2.892 10.192 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.545 2.742 10.975 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.916 3.409 8.946 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.663 3.151 10.293 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.305 3.574 9.058 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.305 3.759 7.755 1.00 0.00 C ATOM 362 CZ2 TRP A 133 6.090 4.072 8.024 1.00 0.00 C ATOM 363 CZ3 TRP A 133 4.083 4.252 6.733 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.461 4.404 6.871 1.00 0.00 C ATOM 0 H TRP A 133 2.183 3.211 13.245 1.00 0.00 H new ATOM 0 HA TRP A 133 0.932 4.342 10.844 1.00 0.00 H new ATOM 0 HB2 TRP A 133 2.051 1.535 11.009 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.487 2.389 9.586 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.541 2.358 11.984 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.615 3.138 10.659 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.238 3.647 7.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.158 4.189 8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.614 4.528 5.800 1.00 0.00 H new ATOM 0 HH2 TRP A 133 6.038 4.793 6.045 1.00 0.00 H new ATOM 375 N GLU A 134 -1.125 2.908 11.264 1.00 0.00 N ATOM 376 CA GLU A 134 -2.316 2.153 11.564 1.00 0.00 C ATOM 377 C GLU A 134 -2.049 0.813 10.916 1.00 0.00 C ATOM 378 O GLU A 134 -2.174 0.658 9.699 1.00 0.00 O ATOM 379 CB GLU A 134 -3.566 2.816 10.971 1.00 0.00 C ATOM 380 CG GLU A 134 -3.606 4.329 11.138 1.00 0.00 C ATOM 381 CD GLU A 134 -4.808 4.955 10.460 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.882 5.008 11.089 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.674 5.393 9.295 1.00 0.00 O ATOM 0 H GLU A 134 -1.243 3.613 10.536 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.512 2.080 12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.622 2.577 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.450 2.386 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.623 4.574 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.694 4.761 10.726 1.00 0.00 H new ATOM 390 N GLU A 135 -1.607 -0.126 11.721 1.00 0.00 N ATOM 391 CA GLU A 135 -1.194 -1.414 11.222 1.00 0.00 C ATOM 392 C GLU A 135 -2.324 -2.245 10.633 1.00 0.00 C ATOM 393 O GLU A 135 -3.244 -2.699 11.311 1.00 0.00 O ATOM 394 CB GLU A 135 -0.424 -2.150 12.315 1.00 0.00 C ATOM 395 CG GLU A 135 -1.087 -2.129 13.674 1.00 0.00 C ATOM 396 CD GLU A 135 -0.119 -1.717 14.762 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.002 -2.278 14.805 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.458 -0.821 15.553 1.00 0.00 O ATOM 0 H GLU A 135 -1.525 -0.018 12.732 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.533 -1.244 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.286 -3.187 12.009 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.569 -1.708 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.931 -1.439 13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.488 -3.117 13.899 1.00 0.00 H new ATOM 405 N VAL A 136 -2.219 -2.389 9.321 1.00 0.00 N ATOM 406 CA VAL A 136 -3.135 -3.160 8.501 1.00 0.00 C ATOM 407 C VAL A 136 -2.654 -4.596 8.382 1.00 0.00 C ATOM 408 O VAL A 136 -1.468 -4.853 8.209 1.00 0.00 O ATOM 409 CB VAL A 136 -3.217 -2.540 7.107 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.130 -3.298 6.191 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.626 -1.106 7.222 1.00 0.00 C ATOM 0 H VAL A 136 -1.468 -1.957 8.782 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.119 -3.151 8.969 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.227 -2.597 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.150 -2.813 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.768 -4.320 6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.136 -3.312 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.685 -0.663 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.601 -1.043 7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.891 -0.565 7.817 1.00 0.00 H new ATOM 421 N GLU A 137 -3.584 -5.516 8.441 1.00 0.00 N ATOM 422 CA GLU A 137 -3.258 -6.941 8.387 1.00 0.00 C ATOM 423 C GLU A 137 -3.967 -7.659 7.258 1.00 0.00 C ATOM 424 O GLU A 137 -4.993 -7.196 6.777 1.00 0.00 O ATOM 425 CB GLU A 137 -3.603 -7.600 9.707 1.00 0.00 C ATOM 426 CG GLU A 137 -2.804 -7.033 10.848 1.00 0.00 C ATOM 427 CD GLU A 137 -1.436 -7.687 10.985 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.347 -8.927 10.829 1.00 0.00 O ATOM 429 OE2 GLU A 137 -0.445 -6.969 11.234 1.00 0.00 O ATOM 0 H GLU A 137 -4.580 -5.314 8.527 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.187 -7.017 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.666 -7.470 9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.421 -8.672 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.677 -5.961 10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.360 -7.163 11.776 1.00 0.00 H new ATOM 436 N GLU A 138 -3.369 -8.760 6.810 1.00 0.00 N ATOM 437 CA GLU A 138 -3.931 -9.583 5.746 1.00 0.00 C ATOM 438 C GLU A 138 -5.426 -9.809 5.967 1.00 0.00 C ATOM 439 O GLU A 138 -5.841 -10.481 6.910 1.00 0.00 O ATOM 440 CB GLU A 138 -3.188 -10.921 5.666 1.00 0.00 C ATOM 441 CG GLU A 138 -2.728 -11.460 7.015 1.00 0.00 C ATOM 442 CD GLU A 138 -1.349 -12.082 6.947 1.00 0.00 C ATOM 443 OE1 GLU A 138 -0.934 -12.486 5.841 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.666 -12.154 7.992 1.00 0.00 O ATOM 0 H GLU A 138 -2.481 -9.105 7.175 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.807 -9.057 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.839 -11.658 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.319 -10.803 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.723 -10.650 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.442 -12.203 7.369 1.00 0.00 H new ATOM 451 N LEU A 139 -6.223 -9.230 5.089 1.00 0.00 N ATOM 452 CA LEU A 139 -7.664 -9.315 5.182 1.00 0.00 C ATOM 453 C LEU A 139 -8.216 -10.300 4.159 1.00 0.00 C ATOM 454 O LEU A 139 -7.881 -10.239 2.976 1.00 0.00 O ATOM 455 CB LEU A 139 -8.258 -7.918 4.990 1.00 0.00 C ATOM 456 CG LEU A 139 -9.470 -7.802 4.059 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.734 -8.309 4.741 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.658 -6.361 3.613 1.00 0.00 C ATOM 0 H LEU A 139 -5.888 -8.688 4.292 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.945 -9.687 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.544 -7.534 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.473 -7.265 4.608 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.283 -8.423 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.578 -8.215 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.604 -9.356 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.925 -7.719 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.522 -6.294 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.819 -5.728 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.768 -6.026 3.081 1.00 0.00 H new ATOM 815 N VAL B 8 -0.396 -4.797 -13.907 1.00 0.00 N ATOM 816 CA VAL B 8 -0.497 -3.778 -12.878 1.00 0.00 C ATOM 817 C VAL B 8 -1.956 -3.471 -12.569 1.00 0.00 C ATOM 818 O VAL B 8 -2.661 -2.868 -13.376 1.00 0.00 O ATOM 819 CB VAL B 8 0.217 -2.474 -13.289 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.499 -1.613 -12.070 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.503 -2.771 -14.046 1.00 0.00 C ATOM 0 HA VAL B 8 -0.007 -4.175 -11.989 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.445 -1.922 -13.955 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.003 -0.698 -12.380 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.440 -1.361 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.137 -2.161 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.986 -1.834 -14.324 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.173 -3.351 -13.411 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.272 -3.341 -14.946 1.00 0.00 H new ATOM 831 N LEU B 9 -2.393 -3.899 -11.399 1.00 0.00 N ATOM 832 CA LEU B 9 -3.755 -3.684 -10.950 1.00 0.00 C ATOM 833 C LEU B 9 -3.940 -2.249 -10.477 1.00 0.00 C ATOM 834 O LEU B 9 -4.961 -1.620 -10.745 1.00 0.00 O ATOM 835 CB LEU B 9 -4.087 -4.645 -9.808 1.00 0.00 C ATOM 836 CG LEU B 9 -4.106 -6.129 -10.186 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.303 -6.991 -8.948 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.198 -6.406 -11.209 1.00 0.00 C ATOM 0 H LEU B 9 -1.812 -4.407 -10.732 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.427 -3.870 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.359 -4.500 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.063 -4.378 -9.402 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.145 -6.383 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.314 -8.043 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.486 -6.814 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.250 -6.735 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.196 -7.465 -11.465 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.167 -6.136 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.014 -5.815 -12.106 1.00 0.00 H new ATOM 850 N LEU B 10 -2.943 -1.738 -9.769 1.00 0.00 N ATOM 851 CA LEU B 10 -3.003 -0.381 -9.259 1.00 0.00 C ATOM 852 C LEU B 10 -1.719 0.384 -9.539 1.00 0.00 C ATOM 853 O LEU B 10 -0.628 -0.043 -9.157 1.00 0.00 O ATOM 854 CB LEU B 10 -3.294 -0.379 -7.765 1.00 0.00 C ATOM 855 CG LEU B 10 -3.888 0.930 -7.243 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.275 1.154 -7.821 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.934 0.937 -5.724 1.00 0.00 C ATOM 0 H LEU B 10 -2.087 -2.242 -9.537 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.816 0.123 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.983 -1.193 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.369 -0.586 -7.226 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.243 1.748 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.682 2.090 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.213 1.203 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.927 0.330 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.360 1.878 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.551 0.109 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.924 0.829 -5.329 1.00 0.00 H new ATOM 869 N ILE B 11 -1.861 1.515 -10.213 1.00 0.00 N ATOM 870 CA ILE B 11 -0.728 2.365 -10.536 1.00 0.00 C ATOM 871 C ILE B 11 -0.717 3.576 -9.616 1.00 0.00 C ATOM 872 O ILE B 11 -1.554 4.468 -9.731 1.00 0.00 O ATOM 873 CB ILE B 11 -0.758 2.825 -12.011 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.611 1.615 -12.941 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.338 3.852 -12.277 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.493 1.972 -14.408 1.00 0.00 C ATOM 0 H ILE B 11 -2.758 1.866 -10.549 1.00 0.00 H new ATOM 0 HA ILE B 11 0.181 1.781 -10.390 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.718 3.301 -12.211 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.271 1.048 -12.644 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.472 0.960 -12.806 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.300 4.163 -13.321 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.188 4.719 -11.634 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.311 3.409 -12.066 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.393 1.061 -14.997 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.386 2.512 -14.724 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.384 2.601 -14.560 1.00 0.00 H new ATOM 888 N VAL B 12 0.230 3.582 -8.697 1.00 0.00 N ATOM 889 CA VAL B 12 0.373 4.662 -7.739 1.00 0.00 C ATOM 890 C VAL B 12 1.485 5.602 -8.185 1.00 0.00 C ATOM 891 O VAL B 12 2.541 5.155 -8.644 1.00 0.00 O ATOM 892 CB VAL B 12 0.684 4.105 -6.335 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.492 5.170 -5.269 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.185 2.890 -6.046 1.00 0.00 C ATOM 0 H VAL B 12 0.921 2.839 -8.594 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.566 5.213 -7.691 1.00 0.00 H new ATOM 0 HB VAL B 12 1.730 3.798 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.718 4.749 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.160 6.008 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.541 5.518 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.045 2.507 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.236 3.175 -6.091 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.013 2.116 -6.788 1.00 0.00 H new ATOM 904 N LYS B 13 1.253 6.896 -8.061 1.00 0.00 N ATOM 905 CA LYS B 13 2.238 7.879 -8.482 1.00 0.00 C ATOM 906 C LYS B 13 3.015 8.446 -7.300 1.00 0.00 C ATOM 907 O LYS B 13 2.736 8.108 -6.155 1.00 0.00 O ATOM 908 CB LYS B 13 1.569 9.007 -9.269 1.00 0.00 C ATOM 909 CG LYS B 13 1.229 8.633 -10.707 1.00 0.00 C ATOM 910 CD LYS B 13 2.478 8.523 -11.576 1.00 0.00 C ATOM 911 CE LYS B 13 3.031 7.104 -11.606 1.00 0.00 C ATOM 912 NZ LYS B 13 4.356 7.036 -12.282 1.00 0.00 N ATOM 0 H LYS B 13 0.396 7.291 -7.674 1.00 0.00 H new ATOM 0 HA LYS B 13 2.950 7.369 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.655 9.305 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.229 9.875 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.694 7.683 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.558 9.382 -11.128 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.242 8.841 -12.591 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.243 9.202 -11.199 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.124 6.730 -10.587 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.327 6.451 -12.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.611 6.041 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.308 7.537 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.077 7.482 -11.679 1.00 0.00 H new ATOM 926 N LYS B 14 3.943 9.353 -7.626 1.00 0.00 N ATOM 927 CA LYS B 14 4.844 10.029 -6.678 1.00 0.00 C ATOM 928 C LYS B 14 4.937 9.368 -5.298 1.00 0.00 C ATOM 929 O LYS B 14 4.463 9.911 -4.299 1.00 0.00 O ATOM 930 CB LYS B 14 4.411 11.482 -6.516 1.00 0.00 C ATOM 931 CG LYS B 14 4.713 12.356 -7.722 1.00 0.00 C ATOM 932 CD LYS B 14 4.532 13.829 -7.396 1.00 0.00 C ATOM 933 CE LYS B 14 3.799 14.561 -8.509 1.00 0.00 C ATOM 934 NZ LYS B 14 2.346 14.692 -8.220 1.00 0.00 N ATOM 0 H LYS B 14 4.095 9.649 -8.590 1.00 0.00 H new ATOM 0 HA LYS B 14 5.842 9.954 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.339 11.511 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.908 11.903 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.735 12.178 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.056 12.081 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.975 13.931 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.507 14.290 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.234 15.552 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.936 14.025 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.884 15.211 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.922 13.746 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.215 15.211 -7.328 1.00 0.00 H new ATOM 948 N VAL B 15 5.568 8.206 -5.255 1.00 0.00 N ATOM 949 CA VAL B 15 5.775 7.481 -4.012 1.00 0.00 C ATOM 950 C VAL B 15 7.253 7.550 -3.667 1.00 0.00 C ATOM 951 O VAL B 15 8.100 7.301 -4.518 1.00 0.00 O ATOM 952 CB VAL B 15 5.340 6.001 -4.109 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.653 5.261 -2.817 1.00 0.00 C ATOM 954 CG2 VAL B 15 3.861 5.895 -4.427 1.00 0.00 C ATOM 0 H VAL B 15 5.950 7.740 -6.078 1.00 0.00 H new ATOM 0 HA VAL B 15 5.161 7.943 -3.239 1.00 0.00 H new ATOM 0 HB VAL B 15 5.903 5.538 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.338 4.221 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.725 5.300 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.120 5.731 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.577 4.845 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.284 6.380 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.658 6.384 -5.380 1.00 0.00 H new ATOM 964 N ARG B 16 7.569 7.894 -2.438 1.00 0.00 N ATOM 965 CA ARG B 16 8.951 8.015 -2.038 1.00 0.00 C ATOM 966 C ARG B 16 9.307 7.062 -0.914 1.00 0.00 C ATOM 967 O ARG B 16 8.612 6.987 0.090 1.00 0.00 O ATOM 968 CB ARG B 16 9.242 9.451 -1.603 1.00 0.00 C ATOM 969 CG ARG B 16 9.163 10.455 -2.739 1.00 0.00 C ATOM 970 CD ARG B 16 9.631 11.831 -2.303 1.00 0.00 C ATOM 971 NE ARG B 16 9.603 12.788 -3.405 1.00 0.00 N ATOM 972 CZ ARG B 16 10.693 13.307 -3.972 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.903 12.979 -3.526 1.00 0.00 N ATOM 974 NH2 ARG B 16 10.572 14.156 -4.987 1.00 0.00 N ATOM 0 H ARG B 16 6.891 8.094 -1.703 1.00 0.00 H new ATOM 0 HA ARG B 16 9.564 7.753 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.534 9.737 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.237 9.493 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.774 10.110 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.136 10.517 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG B 16 8.997 12.191 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.644 11.762 -1.907 1.00 0.00 H new ATOM 0 HE ARG B 16 8.693 13.078 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.000 12.328 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.733 13.379 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.646 14.410 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.405 14.554 -5.421 1.00 0.00 H new ATOM 988 N GLN B 17 10.402 6.350 -1.072 1.00 0.00 N ATOM 989 CA GLN B 17 10.861 5.453 -0.031 1.00 0.00 C ATOM 990 C GLN B 17 12.029 6.141 0.639 1.00 0.00 C ATOM 991 O GLN B 17 13.028 6.436 -0.004 1.00 0.00 O ATOM 992 CB GLN B 17 11.251 4.069 -0.585 1.00 0.00 C ATOM 993 CG GLN B 17 12.395 4.077 -1.590 1.00 0.00 C ATOM 994 CD GLN B 17 13.657 3.420 -1.053 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.841 2.211 -1.179 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.534 4.210 -0.450 1.00 0.00 N ATOM 0 H GLN B 17 10.989 6.373 -1.906 1.00 0.00 H new ATOM 0 HA GLN B 17 10.063 5.255 0.684 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.525 3.424 0.250 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.375 3.624 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.080 3.560 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.618 5.106 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.346 5.209 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.397 3.819 -0.071 1.00 0.00 H new ATOM 1005 N LYS B 18 11.859 6.483 1.910 1.00 0.00 N ATOM 1006 CA LYS B 18 12.889 7.203 2.649 1.00 0.00 C ATOM 1007 C LYS B 18 13.155 8.550 1.973 1.00 0.00 C ATOM 1008 O LYS B 18 14.250 9.096 2.053 1.00 0.00 O ATOM 1009 CB LYS B 18 14.172 6.371 2.757 1.00 0.00 C ATOM 1010 CG LYS B 18 14.171 5.424 3.945 1.00 0.00 C ATOM 1011 CD LYS B 18 14.161 6.193 5.256 1.00 0.00 C ATOM 1012 CE LYS B 18 13.119 5.655 6.222 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.512 4.344 6.800 1.00 0.00 N ATOM 0 H LYS B 18 11.019 6.274 2.450 1.00 0.00 H new ATOM 0 HA LYS B 18 12.537 7.384 3.665 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.302 5.795 1.841 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.027 7.042 2.836 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.298 4.773 3.895 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.051 4.782 3.903 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.147 6.136 5.717 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.962 7.246 5.057 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.967 6.374 7.027 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.166 5.550 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.771 4.016 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.632 3.649 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.408 4.447 7.317 1.00 0.00 H new ATOM 1027 N LYS B 19 12.096 9.072 1.329 1.00 0.00 N ATOM 1028 CA LYS B 19 12.102 10.360 0.612 1.00 0.00 C ATOM 1029 C LYS B 19 12.649 10.239 -0.816 1.00 0.00 C ATOM 1030 O LYS B 19 12.736 11.239 -1.534 1.00 0.00 O ATOM 1031 CB LYS B 19 12.863 11.453 1.380 1.00 0.00 C ATOM 1032 CG LYS B 19 12.060 12.091 2.510 1.00 0.00 C ATOM 1033 CD LYS B 19 11.794 11.112 3.647 1.00 0.00 C ATOM 1034 CE LYS B 19 12.857 11.177 4.734 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.241 11.129 4.192 1.00 0.00 N ATOM 0 H LYS B 19 11.193 8.600 1.292 1.00 0.00 H new ATOM 0 HA LYS B 19 11.056 10.658 0.544 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.775 11.024 1.794 1.00 0.00 H new ATOM 0 HB3 LYS B 19 13.166 12.231 0.679 1.00 0.00 H new ATOM 0 HG2 LYS B 19 12.601 12.955 2.895 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.111 12.457 2.118 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.819 11.325 4.084 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.750 10.099 3.247 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.728 12.095 5.307 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.714 10.347 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.919 11.057 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.342 10.301 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.431 11.995 3.649 1.00 0.00 H new ATOM 1049 N GLN B 20 12.966 9.023 -1.247 1.00 0.00 N ATOM 1050 CA GLN B 20 13.480 8.798 -2.599 1.00 0.00 C ATOM 1051 C GLN B 20 12.318 8.789 -3.589 1.00 0.00 C ATOM 1052 O GLN B 20 11.380 8.016 -3.426 1.00 0.00 O ATOM 1053 CB GLN B 20 14.237 7.472 -2.664 1.00 0.00 C ATOM 1054 CG GLN B 20 15.059 7.288 -3.929 1.00 0.00 C ATOM 1055 CD GLN B 20 15.929 6.045 -3.882 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.416 5.699 -2.699 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.171 5.404 -4.906 1.00 0.00 N flip ATOM 0 H GLN B 20 12.877 8.178 -0.683 1.00 0.00 H new ATOM 0 HA GLN B 20 14.169 9.602 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.898 7.401 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.522 6.653 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.390 7.227 -4.787 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.690 8.164 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.778 5.702 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.765 4.576 -4.861 1.00 0.00 H new ATOM 1066 N ASP B 21 12.386 9.643 -4.608 1.00 0.00 N ATOM 1067 CA ASP B 21 11.306 9.752 -5.596 1.00 0.00 C ATOM 1068 C ASP B 21 11.082 8.444 -6.345 1.00 0.00 C ATOM 1069 O ASP B 21 12.030 7.732 -6.676 1.00 0.00 O ATOM 1070 CB ASP B 21 11.583 10.894 -6.593 1.00 0.00 C ATOM 1071 CG ASP B 21 12.446 10.481 -7.779 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.919 9.862 -8.727 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.652 10.800 -7.782 1.00 0.00 O ATOM 0 H ASP B 21 13.174 10.269 -4.774 1.00 0.00 H new ATOM 0 HA ASP B 21 10.394 9.979 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.633 11.278 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.074 11.712 -6.066 1.00 0.00 H new ATOM 1078 N GLY B 22 9.815 8.119 -6.575 1.00 0.00 N ATOM 1079 CA GLY B 22 9.484 6.917 -7.297 1.00 0.00 C ATOM 1080 C GLY B 22 7.999 6.774 -7.539 1.00 0.00 C ATOM 1081 O GLY B 22 7.221 7.691 -7.279 1.00 0.00 O ATOM 0 H GLY B 22 9.013 8.672 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.006 6.917 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.842 6.052 -6.739 1.00 0.00 H new ATOM 1085 N ALA B 23 7.619 5.625 -8.057 1.00 0.00 N ATOM 1086 CA ALA B 23 6.236 5.304 -8.333 1.00 0.00 C ATOM 1087 C ALA B 23 5.976 3.878 -7.884 1.00 0.00 C ATOM 1088 O ALA B 23 6.818 2.999 -8.081 1.00 0.00 O ATOM 1089 CB ALA B 23 5.932 5.473 -9.810 1.00 0.00 C ATOM 0 H ALA B 23 8.270 4.879 -8.301 1.00 0.00 H new ATOM 0 HA ALA B 23 5.581 5.984 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.887 5.227 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.120 6.506 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.571 4.808 -10.391 1.00 0.00 H new ATOM 1095 N LEU B 24 4.823 3.643 -7.291 1.00 0.00 N ATOM 1096 CA LEU B 24 4.498 2.323 -6.782 1.00 0.00 C ATOM 1097 C LEU B 24 3.531 1.621 -7.741 1.00 0.00 C ATOM 1098 O LEU B 24 2.469 2.147 -8.059 1.00 0.00 O ATOM 1099 CB LEU B 24 3.881 2.469 -5.387 1.00 0.00 C ATOM 1100 CG LEU B 24 4.152 1.328 -4.401 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.126 1.341 -3.279 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.172 -0.022 -5.091 1.00 0.00 C ATOM 0 H LEU B 24 4.097 4.345 -7.149 1.00 0.00 H new ATOM 0 HA LEU B 24 5.399 1.715 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.248 3.396 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.802 2.575 -5.500 1.00 0.00 H new ATOM 0 HG LEU B 24 5.142 1.490 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.333 0.524 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.181 2.290 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.127 1.218 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.367 -0.803 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.207 -0.203 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.956 -0.032 -5.848 1.00 0.00 H new ATOM 1114 N TYR B 25 3.909 0.442 -8.205 1.00 0.00 N ATOM 1115 CA TYR B 25 3.080 -0.316 -9.128 1.00 0.00 C ATOM 1116 C TYR B 25 2.677 -1.654 -8.519 1.00 0.00 C ATOM 1117 O TYR B 25 3.524 -2.493 -8.202 1.00 0.00 O ATOM 1118 CB TYR B 25 3.818 -0.524 -10.454 1.00 0.00 C ATOM 1119 CG TYR B 25 4.218 0.771 -11.126 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.285 1.534 -11.816 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.526 1.236 -11.061 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.643 2.723 -12.423 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.891 2.426 -11.663 1.00 0.00 C ATOM 1124 CZ TYR B 25 4.945 3.165 -12.343 1.00 0.00 C ATOM 1125 OH TYR B 25 5.301 4.357 -12.940 1.00 0.00 O ATOM 0 H TYR B 25 4.788 -0.013 -7.957 1.00 0.00 H new ATOM 0 HA TYR B 25 2.171 0.252 -9.323 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.711 -1.123 -10.275 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.182 -1.095 -11.130 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.262 1.192 -11.879 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.269 0.658 -10.532 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.905 3.303 -12.958 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.911 2.775 -11.601 1.00 0.00 H new ATOM 0 HH TYR B 25 6.255 4.526 -12.790 1.00 0.00 H new ATOM 1135 N LEU B 26 1.377 -1.834 -8.345 1.00 0.00 N ATOM 1136 CA LEU B 26 0.830 -3.056 -7.777 1.00 0.00 C ATOM 1137 C LEU B 26 0.428 -4.016 -8.883 1.00 0.00 C ATOM 1138 O LEU B 26 -0.533 -3.759 -9.597 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.396 -2.729 -6.921 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.105 -2.004 -5.611 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.351 -1.319 -5.090 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.405 -2.981 -4.580 1.00 0.00 C ATOM 0 H LEU B 26 0.673 -1.139 -8.593 1.00 0.00 H new ATOM 0 HA LEU B 26 1.595 -3.524 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.078 -2.117 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.918 -3.659 -6.694 1.00 0.00 H new ATOM 0 HG LEU B 26 0.657 -1.248 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.121 -0.808 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.701 -0.593 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.129 -2.062 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.610 -2.453 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.347 -3.750 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.322 -3.447 -4.942 1.00 0.00 H new ATOM 1154 N MET B 27 1.154 -5.113 -9.028 1.00 0.00 N ATOM 1155 CA MET B 27 0.843 -6.089 -10.066 1.00 0.00 C ATOM 1156 C MET B 27 -0.063 -7.190 -9.521 1.00 0.00 C ATOM 1157 O MET B 27 -0.641 -7.047 -8.442 1.00 0.00 O ATOM 1158 CB MET B 27 2.126 -6.678 -10.662 1.00 0.00 C ATOM 1159 CG MET B 27 2.652 -5.903 -11.859 1.00 0.00 C ATOM 1160 SD MET B 27 3.365 -4.312 -11.398 1.00 0.00 S ATOM 1161 CE MET B 27 4.851 -4.850 -10.556 1.00 0.00 C ATOM 0 H MET B 27 1.957 -5.351 -8.446 1.00 0.00 H new ATOM 0 HA MET B 27 0.306 -5.577 -10.864 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.896 -6.706 -9.891 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.938 -7.709 -10.961 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.407 -6.500 -12.370 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.840 -5.741 -12.568 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.803 -4.555 -9.508 1.00 0.00 H new ATOM 0 HE2 MET B 27 4.935 -5.935 -10.624 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.721 -4.389 -11.023 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.180 -8.281 -10.269 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.042 -9.395 -9.892 1.00 0.00 C ATOM 1173 C ALA B 28 -0.647 -10.047 -8.567 1.00 0.00 C ATOM 1174 O ALA B 28 -1.478 -10.174 -7.669 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.038 -10.434 -11.002 1.00 0.00 C ATOM 0 H ALA B 28 0.317 -8.418 -11.149 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.043 -8.989 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.682 -11.268 -10.722 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.407 -9.984 -11.923 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.022 -10.797 -11.157 1.00 0.00 H new ATOM 1181 N GLU B 29 0.612 -10.449 -8.429 1.00 0.00 N ATOM 1182 CA GLU B 29 1.059 -11.098 -7.198 1.00 0.00 C ATOM 1183 C GLU B 29 2.295 -10.421 -6.622 1.00 0.00 C ATOM 1184 O GLU B 29 2.824 -10.850 -5.595 1.00 0.00 O ATOM 1185 CB GLU B 29 1.382 -12.577 -7.444 1.00 0.00 C ATOM 1186 CG GLU B 29 0.527 -13.246 -8.509 1.00 0.00 C ATOM 1187 CD GLU B 29 1.075 -13.034 -9.904 1.00 0.00 C ATOM 1188 OE1 GLU B 29 2.168 -12.437 -10.028 1.00 0.00 O ATOM 1189 OE2 GLU B 29 0.414 -13.453 -10.876 1.00 0.00 O ATOM 0 H GLU B 29 1.333 -10.340 -9.142 1.00 0.00 H new ATOM 0 HA GLU B 29 0.240 -11.012 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.430 -12.663 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.263 -13.121 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.466 -14.315 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.488 -12.853 -8.456 1.00 0.00 H new ATOM 1196 N ARG B 30 2.748 -9.356 -7.260 1.00 0.00 N ATOM 1197 CA ARG B 30 3.938 -8.670 -6.794 1.00 0.00 C ATOM 1198 C ARG B 30 3.761 -7.162 -6.793 1.00 0.00 C ATOM 1199 O ARG B 30 3.088 -6.597 -7.652 1.00 0.00 O ATOM 1200 CB ARG B 30 5.156 -9.054 -7.645 1.00 0.00 C ATOM 1201 CG ARG B 30 5.006 -8.762 -9.133 1.00 0.00 C ATOM 1202 CD ARG B 30 4.417 -9.946 -9.887 1.00 0.00 C ATOM 1203 NE ARG B 30 4.904 -10.011 -11.261 1.00 0.00 N ATOM 1204 CZ ARG B 30 4.861 -11.104 -12.022 1.00 0.00 C ATOM 1205 NH1 ARG B 30 4.220 -12.187 -11.610 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.419 -11.096 -13.223 1.00 0.00 N ATOM 0 H ARG B 30 2.316 -8.952 -8.091 1.00 0.00 H new ATOM 0 HA ARG B 30 4.107 -8.987 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.029 -8.520 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.353 -10.118 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.366 -7.890 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.980 -8.512 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.671 -10.870 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG B 30 3.330 -9.870 -9.890 1.00 0.00 H new ATOM 0 HE ARG B 30 5.304 -9.164 -11.665 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.754 -12.189 -10.703 1.00 0.00 H new ATOM 0 HH12 ARG B 30 4.193 -13.019 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.881 -10.254 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.386 -11.932 -13.806 1.00 0.00 H new ATOM 1220 N ILE B 31 4.366 -6.528 -5.808 1.00 0.00 N ATOM 1221 CA ILE B 31 4.328 -5.086 -5.670 1.00 0.00 C ATOM 1222 C ILE B 31 5.728 -4.544 -5.931 1.00 0.00 C ATOM 1223 O ILE B 31 6.687 -4.920 -5.252 1.00 0.00 O ATOM 1224 CB ILE B 31 3.830 -4.660 -4.264 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.088 -3.172 -4.020 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.484 -5.500 -3.175 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.540 -2.666 -2.702 1.00 0.00 C ATOM 0 H ILE B 31 4.900 -7.000 -5.078 1.00 0.00 H new ATOM 0 HA ILE B 31 3.623 -4.674 -6.393 1.00 0.00 H new ATOM 0 HB ILE B 31 2.754 -4.831 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.162 -2.989 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.643 -2.597 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.117 -5.181 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.238 -6.551 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.566 -5.371 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.761 -1.604 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.461 -2.816 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.003 -3.214 -1.881 1.00 0.00 H new ATOM 1239 N ALA B 32 5.857 -3.691 -6.929 1.00 0.00 N ATOM 1240 CA ALA B 32 7.154 -3.143 -7.270 1.00 0.00 C ATOM 1241 C ALA B 32 7.136 -1.627 -7.268 1.00 0.00 C ATOM 1242 O ALA B 32 6.107 -0.999 -7.506 1.00 0.00 O ATOM 1243 CB ALA B 32 7.617 -3.670 -8.616 1.00 0.00 C ATOM 0 H ALA B 32 5.087 -3.365 -7.513 1.00 0.00 H new ATOM 0 HA ALA B 32 7.862 -3.466 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.593 -3.248 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.692 -4.757 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.899 -3.384 -9.385 1.00 0.00 H new ATOM 1249 N TRP B 33 8.288 -1.050 -7.000 1.00 0.00 N ATOM 1250 CA TRP B 33 8.436 0.388 -6.954 1.00 0.00 C ATOM 1251 C TRP B 33 9.698 0.794 -7.707 1.00 0.00 C ATOM 1252 O TRP B 33 10.743 0.142 -7.595 1.00 0.00 O ATOM 1253 CB TRP B 33 8.486 0.848 -5.487 1.00 0.00 C ATOM 1254 CG TRP B 33 8.792 2.305 -5.290 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.895 3.321 -5.127 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.090 2.901 -5.213 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.558 4.512 -4.965 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.907 4.279 -5.013 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.386 2.398 -5.299 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.978 5.160 -4.897 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.449 3.272 -5.186 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.240 4.641 -4.986 1.00 0.00 C ATOM 0 H TRP B 33 9.147 -1.565 -6.808 1.00 0.00 H new ATOM 0 HA TRP B 33 7.585 0.870 -7.435 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.526 0.627 -5.020 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.239 0.260 -4.963 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.821 3.205 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.118 5.422 -4.831 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.557 1.343 -5.451 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.818 6.217 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.458 2.893 -5.253 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.091 5.300 -4.900 1.00 0.00 H new ATOM 1273 N ALA B 34 9.586 1.849 -8.494 1.00 0.00 N ATOM 1274 CA ALA B 34 10.705 2.361 -9.269 1.00 0.00 C ATOM 1275 C ALA B 34 10.661 3.876 -9.276 1.00 0.00 C ATOM 1276 O ALA B 34 9.579 4.449 -9.305 1.00 0.00 O ATOM 1277 CB ALA B 34 10.662 1.825 -10.691 1.00 0.00 C ATOM 0 H ALA B 34 8.720 2.375 -8.615 1.00 0.00 H new ATOM 0 HA ALA B 34 11.636 2.029 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.507 2.220 -11.254 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.716 0.736 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.732 2.134 -11.168 1.00 0.00 H new ATOM 1283 N PRO B 35 11.826 4.540 -9.234 1.00 0.00 N ATOM 1284 CA PRO B 35 11.904 6.007 -9.234 1.00 0.00 C ATOM 1285 C PRO B 35 11.072 6.637 -10.359 1.00 0.00 C ATOM 1286 O PRO B 35 11.024 6.119 -11.477 1.00 0.00 O ATOM 1287 CB PRO B 35 13.395 6.281 -9.421 1.00 0.00 C ATOM 1288 CG PRO B 35 14.077 5.070 -8.888 1.00 0.00 C ATOM 1289 CD PRO B 35 13.160 3.914 -9.177 1.00 0.00 C ATOM 0 HA PRO B 35 11.498 6.443 -8.321 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.638 6.441 -10.471 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.703 7.177 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.047 4.927 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.259 5.165 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.415 3.425 -10.117 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.214 3.154 -8.398 1.00 0.00 H new ATOM 1411 N ILE B 43 12.609 -1.696 -6.166 1.00 0.00 N ATOM 1412 CA ILE B 43 11.901 -2.416 -5.120 1.00 0.00 C ATOM 1413 C ILE B 43 10.913 -3.411 -5.727 1.00 0.00 C ATOM 1414 O ILE B 43 10.121 -3.050 -6.594 1.00 0.00 O ATOM 1415 CB ILE B 43 11.165 -1.420 -4.189 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.144 -0.838 -3.167 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.984 -2.075 -3.488 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.555 0.270 -2.322 1.00 0.00 C ATOM 0 HA ILE B 43 12.628 -2.974 -4.529 1.00 0.00 H new ATOM 0 HB ILE B 43 10.770 -0.612 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.489 -1.638 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.019 -0.456 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.493 -1.346 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.275 -2.438 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.337 -2.912 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE B 43 12.307 0.632 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.235 1.089 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.697 -0.112 -1.768 1.00 0.00 H new ATOM 1430 N SER B 44 10.992 -4.666 -5.295 1.00 0.00 N ATOM 1431 CA SER B 44 10.103 -5.710 -5.791 1.00 0.00 C ATOM 1432 C SER B 44 9.831 -6.743 -4.702 1.00 0.00 C ATOM 1433 O SER B 44 10.735 -7.463 -4.280 1.00 0.00 O ATOM 1434 CB SER B 44 10.712 -6.379 -7.030 1.00 0.00 C ATOM 1435 OG SER B 44 9.857 -7.386 -7.547 1.00 0.00 O ATOM 0 H SER B 44 11.666 -4.985 -4.599 1.00 0.00 H new ATOM 0 HA SER B 44 9.154 -5.255 -6.073 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.897 -5.627 -7.797 1.00 0.00 H new ATOM 0 HB3 SER B 44 11.677 -6.816 -6.772 1.00 0.00 H new ATOM 0 HG SER B 44 10.271 -7.793 -8.337 1.00 0.00 H new ATOM 1441 N HIS B 45 8.587 -6.802 -4.246 1.00 0.00 N ATOM 1442 CA HIS B 45 8.190 -7.748 -3.207 1.00 0.00 C ATOM 1443 C HIS B 45 6.958 -8.513 -3.643 1.00 0.00 C ATOM 1444 O HIS B 45 6.062 -7.958 -4.276 1.00 0.00 O ATOM 1445 CB HIS B 45 7.884 -7.033 -1.882 1.00 0.00 C ATOM 1446 CG HIS B 45 8.942 -6.073 -1.427 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.947 -6.389 -0.538 1.00 0.00 N ATOM 1448 CD2 HIS B 45 9.129 -4.770 -1.751 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.695 -5.294 -0.355 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.241 -4.284 -1.071 1.00 0.00 N ATOM 0 H HIS B 45 7.831 -6.204 -4.580 1.00 0.00 H new ATOM 0 HA HIS B 45 9.024 -8.433 -3.053 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.943 -6.493 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.736 -7.784 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.512 -4.200 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.557 -5.244 0.294 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.626 -3.341 -1.117 1.00 0.00 H new ATOM 1458 N MET B 46 6.923 -9.787 -3.325 1.00 0.00 N ATOM 1459 CA MET B 46 5.778 -10.606 -3.656 1.00 0.00 C ATOM 1460 C MET B 46 4.798 -10.550 -2.501 1.00 0.00 C ATOM 1461 O MET B 46 5.209 -10.517 -1.342 1.00 0.00 O ATOM 1462 CB MET B 46 6.194 -12.057 -3.920 1.00 0.00 C ATOM 1463 CG MET B 46 6.975 -12.250 -5.210 1.00 0.00 C ATOM 1464 SD MET B 46 5.916 -12.258 -6.672 1.00 0.00 S ATOM 1465 CE MET B 46 4.921 -13.717 -6.367 1.00 0.00 C ATOM 0 H MET B 46 7.673 -10.279 -2.838 1.00 0.00 H new ATOM 0 HA MET B 46 5.315 -10.224 -4.566 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.799 -12.409 -3.084 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.301 -12.681 -3.951 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.713 -11.454 -5.306 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.525 -13.190 -5.160 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.852 -14.308 -7.280 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.383 -14.315 -5.582 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.921 -13.417 -6.053 1.00 0.00 H new ATOM 1475 N TYR B 47 3.509 -10.506 -2.809 1.00 0.00 N ATOM 1476 CA TYR B 47 2.481 -10.468 -1.765 1.00 0.00 C ATOM 1477 C TYR B 47 2.660 -11.672 -0.844 1.00 0.00 C ATOM 1478 O TYR B 47 2.360 -11.620 0.349 1.00 0.00 O ATOM 1479 CB TYR B 47 1.075 -10.459 -2.376 1.00 0.00 C ATOM 1480 CG TYR B 47 0.825 -9.308 -3.331 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.514 -8.107 -3.208 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.096 -9.427 -4.364 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.289 -7.064 -4.085 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.322 -8.389 -5.246 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.373 -7.209 -5.103 1.00 0.00 C ATOM 1486 OH TYR B 47 0.156 -6.174 -5.982 1.00 0.00 O ATOM 0 H TYR B 47 3.147 -10.496 -3.763 1.00 0.00 H new ATOM 0 HA TYR B 47 2.593 -9.550 -1.189 1.00 0.00 H new ATOM 0 HB2 TYR B 47 0.914 -11.398 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.341 -10.416 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.237 -7.988 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.646 -10.349 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.830 -6.136 -3.973 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.041 -8.502 -6.044 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.326 -6.507 -6.767 1.00 0.00 H new ATOM 1496 N ALA B 48 3.137 -12.755 -1.443 1.00 0.00 N ATOM 1497 CA ALA B 48 3.436 -13.996 -0.748 1.00 0.00 C ATOM 1498 C ALA B 48 4.367 -13.808 0.452 1.00 0.00 C ATOM 1499 O ALA B 48 4.205 -14.499 1.455 1.00 0.00 O ATOM 1500 CB ALA B 48 4.070 -14.971 -1.730 1.00 0.00 C ATOM 0 H ALA B 48 3.330 -12.794 -2.444 1.00 0.00 H new ATOM 0 HA ALA B 48 2.494 -14.382 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.298 -15.906 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.377 -15.165 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.989 -14.541 -2.127 1.00 0.00 H new ATOM 1506 N ASP B 49 5.324 -12.879 0.340 1.00 0.00 N ATOM 1507 CA ASP B 49 6.314 -12.619 1.387 1.00 0.00 C ATOM 1508 C ASP B 49 5.869 -11.511 2.333 1.00 0.00 C ATOM 1509 O ASP B 49 6.449 -11.325 3.408 1.00 0.00 O ATOM 1510 CB ASP B 49 7.637 -12.179 0.779 1.00 0.00 C ATOM 1511 CG ASP B 49 7.906 -12.742 -0.607 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.883 -13.980 -0.773 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.139 -11.933 -1.537 1.00 0.00 O ATOM 0 H ASP B 49 5.432 -12.286 -0.483 1.00 0.00 H new ATOM 0 HA ASP B 49 6.424 -13.554 1.937 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.655 -11.090 0.726 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.447 -12.479 1.444 1.00 0.00 H new ATOM 1518 N ILE B 50 4.867 -10.753 1.942 1.00 0.00 N ATOM 1519 CA ILE B 50 4.388 -9.689 2.798 1.00 0.00 C ATOM 1520 C ILE B 50 3.370 -10.245 3.774 1.00 0.00 C ATOM 1521 O ILE B 50 2.479 -11.003 3.391 1.00 0.00 O ATOM 1522 CB ILE B 50 3.764 -8.527 2.005 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.567 -8.264 0.731 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.709 -7.270 2.867 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.176 -6.989 0.028 1.00 0.00 C ATOM 0 H ILE B 50 4.376 -10.850 1.053 1.00 0.00 H new ATOM 0 HA ILE B 50 5.249 -9.288 3.333 1.00 0.00 H new ATOM 0 HB ILE B 50 2.747 -8.801 1.724 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.627 -8.222 0.981 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.434 -9.102 0.047 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.266 -6.455 2.294 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.104 -7.462 3.753 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.718 -6.993 3.171 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.785 -6.865 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.124 -7.036 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.336 -6.142 0.695 1.00 0.00 H new ATOM 1537 N LYS B 51 3.515 -9.903 5.038 1.00 0.00 N ATOM 1538 CA LYS B 51 2.593 -10.390 6.041 1.00 0.00 C ATOM 1539 C LYS B 51 1.485 -9.378 6.266 1.00 0.00 C ATOM 1540 O LYS B 51 0.311 -9.723 6.330 1.00 0.00 O ATOM 1541 CB LYS B 51 3.312 -10.663 7.357 1.00 0.00 C ATOM 1542 CG LYS B 51 2.618 -11.717 8.204 1.00 0.00 C ATOM 1543 CD LYS B 51 2.720 -11.397 9.684 1.00 0.00 C ATOM 1544 CE LYS B 51 1.720 -10.321 10.098 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.306 -10.789 10.020 1.00 0.00 N ATOM 0 H LYS B 51 4.255 -9.296 5.392 1.00 0.00 H new ATOM 0 HA LYS B 51 2.164 -11.325 5.680 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.332 -10.986 7.148 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.382 -9.736 7.926 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.569 -11.783 7.917 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.064 -12.693 8.010 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.543 -12.302 10.265 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.731 -11.063 9.915 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.937 -10.002 11.117 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.845 -9.448 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.322 -10.064 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.050 -10.956 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 0.203 -11.674 10.557 1.00 0.00 H new ATOM 1559 N CYS B 52 1.868 -8.121 6.356 1.00 0.00 N ATOM 1560 CA CYS B 52 0.917 -7.057 6.596 1.00 0.00 C ATOM 1561 C CYS B 52 1.507 -5.725 6.168 1.00 0.00 C ATOM 1562 O CYS B 52 2.625 -5.670 5.654 1.00 0.00 O ATOM 1563 CB CYS B 52 0.513 -7.025 8.070 1.00 0.00 C ATOM 1564 SG CYS B 52 1.889 -6.975 9.237 1.00 0.00 S ATOM 0 H CYS B 52 2.836 -7.811 6.266 1.00 0.00 H new ATOM 0 HA CYS B 52 0.021 -7.244 6.004 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.119 -6.153 8.239 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.094 -7.905 8.284 1.00 0.00 H new ATOM 0 HG CYS B 52 2.341 -5.759 9.323 1.00 0.00 H new ATOM 1570 N GLN B 53 0.762 -4.659 6.372 1.00 0.00 N ATOM 1571 CA GLN B 53 1.213 -3.338 6.000 1.00 0.00 C ATOM 1572 C GLN B 53 0.628 -2.336 6.959 1.00 0.00 C ATOM 1573 O GLN B 53 -0.501 -2.469 7.368 1.00 0.00 O ATOM 1574 CB GLN B 53 0.795 -3.003 4.563 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.563 -2.327 4.466 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.331 -2.719 3.233 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.264 -2.050 2.210 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.069 -3.812 3.324 1.00 0.00 N ATOM 0 H GLN B 53 -0.165 -4.684 6.797 1.00 0.00 H new ATOM 0 HA GLN B 53 2.301 -3.304 6.047 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.548 -2.353 4.117 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.777 -3.921 3.975 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.151 -2.579 5.348 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.425 -1.246 4.472 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.095 -4.339 4.197 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.613 -4.129 2.521 1.00 0.00 H new ATOM 1587 N LYS B 54 1.383 -1.355 7.351 1.00 0.00 N ATOM 1588 CA LYS B 54 0.852 -0.364 8.250 1.00 0.00 C ATOM 1589 C LYS B 54 0.851 0.979 7.546 1.00 0.00 C ATOM 1590 O LYS B 54 1.701 1.238 6.707 1.00 0.00 O ATOM 1591 CB LYS B 54 1.640 -0.313 9.547 1.00 0.00 C ATOM 1592 CG LYS B 54 2.058 -1.664 10.099 1.00 0.00 C ATOM 1593 CD LYS B 54 2.725 -1.513 11.459 1.00 0.00 C ATOM 1594 CE LYS B 54 3.052 -2.865 12.072 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.174 -2.787 13.552 1.00 0.00 N ATOM 0 H LYS B 54 2.354 -1.216 7.071 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.170 -0.630 8.520 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.534 0.290 9.388 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.040 0.200 10.299 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.185 -2.311 10.188 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.745 -2.148 9.405 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.639 -0.929 11.354 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.068 -0.958 12.128 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.273 -3.581 11.809 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.985 -3.239 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.347 -3.738 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.967 -2.162 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.293 -2.406 13.953 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.099 1.824 7.878 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.228 3.117 7.220 1.00 0.00 C ATOM 1611 C ILE B 55 -0.038 4.273 8.196 1.00 0.00 C ATOM 1612 O ILE B 55 -0.683 4.318 9.227 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.622 3.199 6.575 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.698 3.096 7.663 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.780 2.073 5.569 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.908 2.290 7.278 1.00 0.00 C ATOM 0 H ILE B 55 -0.797 1.644 8.600 1.00 0.00 H new ATOM 0 HA ILE B 55 0.552 3.203 6.463 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.733 4.153 6.059 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.253 2.654 8.554 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.020 4.102 7.933 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.768 2.130 5.111 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.016 2.165 4.797 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.670 1.114 6.076 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.613 2.273 8.109 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.384 2.741 6.407 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.605 1.271 7.038 1.00 0.00 H new ATOM 1628 N SER B 56 0.845 5.209 7.891 1.00 0.00 N ATOM 1629 CA SER B 56 1.062 6.326 8.790 1.00 0.00 C ATOM 1630 C SER B 56 -0.035 7.351 8.581 1.00 0.00 C ATOM 1631 O SER B 56 -0.103 8.004 7.523 1.00 0.00 O ATOM 1632 CB SER B 56 2.451 6.944 8.618 1.00 0.00 C ATOM 1633 OG SER B 56 2.699 7.290 7.280 1.00 0.00 O ATOM 0 H SER B 56 1.413 5.218 7.044 1.00 0.00 H new ATOM 0 HA SER B 56 1.021 5.961 9.816 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.536 7.831 9.246 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.209 6.239 8.959 1.00 0.00 H new ATOM 0 HG SER B 56 3.432 7.939 7.240 1.00 0.00 H new ATOM 1639 N PRO B 57 -0.901 7.468 9.609 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.073 8.354 9.627 1.00 0.00 C ATOM 1641 C PRO B 57 -1.729 9.836 9.585 1.00 0.00 C ATOM 1642 O PRO B 57 -0.570 10.232 9.774 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.745 8.027 10.969 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.650 7.478 11.812 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.782 6.714 10.871 1.00 0.00 C ATOM 0 HA PRO B 57 -2.692 8.187 8.746 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.184 8.917 11.420 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.550 7.303 10.843 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.093 8.276 12.303 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.043 6.833 12.598 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.250 6.673 11.219 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.121 5.684 10.758 1.00 0.00 H new ATOM 1653 N GLU B 58 -2.759 10.639 9.341 1.00 0.00 N ATOM 1654 CA GLU B 58 -2.645 12.088 9.286 1.00 0.00 C ATOM 1655 C GLU B 58 -2.076 12.630 10.594 1.00 0.00 C ATOM 1656 O GLU B 58 -2.170 11.995 11.644 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.006 12.726 8.990 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.467 12.559 7.545 1.00 0.00 C ATOM 1659 CD GLU B 58 -4.643 11.105 7.148 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.122 10.317 7.989 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.277 10.744 6.009 1.00 0.00 O ATOM 0 H GLU B 58 -3.705 10.297 9.174 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.961 12.347 8.478 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.753 12.288 9.652 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.956 13.789 9.224 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.411 13.085 7.407 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.741 13.027 6.880 1.00 0.00 H new ATOM 1668 N GLY B 59 -1.489 13.808 10.518 1.00 0.00 N ATOM 1669 CA GLY B 59 -0.867 14.411 11.677 1.00 0.00 C ATOM 1670 C GLY B 59 0.613 14.540 11.436 1.00 0.00 C ATOM 1671 O GLY B 59 1.300 15.346 12.059 1.00 0.00 O ATOM 0 H GLY B 59 -1.430 14.365 9.666 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.303 15.391 11.869 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.051 13.801 12.562 1.00 0.00 H new ATOM 1675 N LYS B 60 1.096 13.720 10.515 1.00 0.00 N ATOM 1676 CA LYS B 60 2.486 13.746 10.115 1.00 0.00 C ATOM 1677 C LYS B 60 2.594 14.621 8.878 1.00 0.00 C ATOM 1678 O LYS B 60 1.585 14.921 8.242 1.00 0.00 O ATOM 1679 CB LYS B 60 2.998 12.339 9.780 1.00 0.00 C ATOM 1680 CG LYS B 60 2.870 11.330 10.910 1.00 0.00 C ATOM 1681 CD LYS B 60 3.331 9.950 10.462 1.00 0.00 C ATOM 1682 CE LYS B 60 2.989 8.879 11.485 1.00 0.00 C ATOM 1683 NZ LYS B 60 1.554 8.948 11.879 1.00 0.00 N ATOM 0 H LYS B 60 0.534 13.022 10.028 1.00 0.00 H new ATOM 0 HA LYS B 60 3.089 14.135 10.935 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.452 11.965 8.914 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.046 12.408 9.490 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.464 11.657 11.763 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.833 11.281 11.243 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.865 9.703 9.508 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.408 9.963 10.296 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.208 7.895 11.072 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.617 9.001 12.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.277 8.058 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 1.413 9.738 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.968 9.097 11.033 1.00 0.00 H new ATOM 1697 N ALA B 61 3.802 15.018 8.530 1.00 0.00 N ATOM 1698 CA ALA B 61 4.011 15.843 7.349 1.00 0.00 C ATOM 1699 C ALA B 61 3.984 14.989 6.091 1.00 0.00 C ATOM 1700 O ALA B 61 4.074 15.501 4.978 1.00 0.00 O ATOM 1701 CB ALA B 61 5.326 16.602 7.454 1.00 0.00 C ATOM 0 H ALA B 61 4.652 14.786 9.043 1.00 0.00 H new ATOM 0 HA ALA B 61 3.200 16.569 7.288 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.465 17.213 6.562 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.306 17.244 8.335 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.149 15.893 7.540 1.00 0.00 H new ATOM 1707 N LYS B 62 3.871 13.680 6.275 1.00 0.00 N ATOM 1708 CA LYS B 62 3.854 12.757 5.157 1.00 0.00 C ATOM 1709 C LYS B 62 2.975 11.536 5.437 1.00 0.00 C ATOM 1710 O LYS B 62 3.136 10.861 6.458 1.00 0.00 O ATOM 1711 CB LYS B 62 5.288 12.313 4.843 1.00 0.00 C ATOM 1712 CG LYS B 62 6.060 11.810 6.054 1.00 0.00 C ATOM 1713 CD LYS B 62 7.562 11.931 5.855 1.00 0.00 C ATOM 1714 CE LYS B 62 8.311 11.576 7.128 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.776 11.800 6.999 1.00 0.00 N ATOM 0 H LYS B 62 3.790 13.237 7.190 1.00 0.00 H new ATOM 0 HA LYS B 62 3.427 13.274 4.298 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.257 11.524 4.092 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.829 13.151 4.403 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.763 12.378 6.936 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.801 10.768 6.243 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.879 11.272 5.047 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.812 12.948 5.554 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.925 12.174 7.953 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.125 10.531 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.246 11.545 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.151 11.210 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.957 12.802 6.787 1.00 0.00 H new ATOM 1729 N ILE B 63 2.025 11.285 4.541 1.00 0.00 N ATOM 1730 CA ILE B 63 1.155 10.120 4.648 1.00 0.00 C ATOM 1731 C ILE B 63 1.913 8.947 4.044 1.00 0.00 C ATOM 1732 O ILE B 63 2.383 9.040 2.907 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.187 10.329 3.905 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -0.961 11.503 4.510 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.029 9.066 3.950 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -0.895 12.768 3.682 1.00 0.00 C ATOM 0 H ILE B 63 1.838 11.875 3.730 1.00 0.00 H new ATOM 0 HA ILE B 63 0.904 9.940 5.693 1.00 0.00 H new ATOM 0 HB ILE B 63 0.036 10.559 2.863 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.005 11.214 4.632 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.569 11.710 5.506 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.967 9.235 3.422 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.486 8.250 3.473 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.238 8.805 4.987 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.466 13.555 4.174 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.144 13.083 3.581 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.315 12.578 2.694 1.00 0.00 H new ATOM 1748 N GLN B 64 2.049 7.847 4.771 1.00 0.00 N ATOM 1749 CA GLN B 64 2.860 6.740 4.253 1.00 0.00 C ATOM 1750 C GLN B 64 2.267 5.355 4.499 1.00 0.00 C ATOM 1751 O GLN B 64 1.267 5.190 5.196 1.00 0.00 O ATOM 1752 CB GLN B 64 4.269 6.783 4.854 1.00 0.00 C ATOM 1753 CG GLN B 64 4.986 8.113 4.721 1.00 0.00 C ATOM 1754 CD GLN B 64 6.363 8.087 5.352 1.00 0.00 C ATOM 1755 OE1 GLN B 64 7.337 7.579 4.610 1.00 0.00 O flip ATOM 1756 NE2 GLN B 64 6.546 8.497 6.498 1.00 0.00 N flip ATOM 0 H GLN B 64 1.629 7.693 5.687 1.00 0.00 H new ATOM 0 HA GLN B 64 2.886 6.888 3.173 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.204 6.527 5.912 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.874 6.012 4.377 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.077 8.371 3.666 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.388 8.895 5.190 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.767 8.880 7.033 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.477 8.453 6.913 1.00 0.00 H new ATOM 1765 N LEU B 65 2.911 4.370 3.874 1.00 0.00 N ATOM 1766 CA LEU B 65 2.550 2.965 3.973 1.00 0.00 C ATOM 1767 C LEU B 65 3.807 2.109 4.207 1.00 0.00 C ATOM 1768 O LEU B 65 4.704 2.105 3.370 1.00 0.00 O ATOM 1769 CB LEU B 65 1.912 2.543 2.660 1.00 0.00 C ATOM 1770 CG LEU B 65 1.443 1.093 2.595 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.003 0.972 3.046 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.619 0.540 1.191 1.00 0.00 C ATOM 0 H LEU B 65 3.717 4.536 3.271 1.00 0.00 H new ATOM 0 HA LEU B 65 1.861 2.824 4.806 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.058 3.192 2.466 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.629 2.711 1.857 1.00 0.00 H new ATOM 0 HG LEU B 65 2.058 0.503 3.275 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.309 -0.071 2.991 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.087 1.324 4.074 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.633 1.576 2.399 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.280 -0.495 1.163 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.032 1.134 0.490 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.672 0.584 0.912 1.00 0.00 H new ATOM 1784 N GLN B 66 3.892 1.404 5.335 1.00 0.00 N ATOM 1785 CA GLN B 66 5.045 0.548 5.589 1.00 0.00 C ATOM 1786 C GLN B 66 4.660 -0.918 5.382 1.00 0.00 C ATOM 1787 O GLN B 66 3.664 -1.393 5.926 1.00 0.00 O ATOM 1788 CB GLN B 66 5.637 0.768 6.990 1.00 0.00 C ATOM 1789 CG GLN B 66 4.886 0.101 8.131 1.00 0.00 C ATOM 1790 CD GLN B 66 5.805 -0.292 9.276 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.491 -1.182 10.063 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.956 0.358 9.369 1.00 0.00 N ATOM 0 H GLN B 66 3.189 1.409 6.074 1.00 0.00 H new ATOM 0 HA GLN B 66 5.823 0.818 4.876 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.664 0.404 6.992 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.679 1.840 7.183 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.117 0.779 8.502 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.375 -0.786 7.757 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.183 1.091 8.698 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.615 0.125 10.112 1.00 0.00 H new ATOM 1801 N LEU B 67 5.435 -1.623 4.572 1.00 0.00 N ATOM 1802 CA LEU B 67 5.171 -3.029 4.289 1.00 0.00 C ATOM 1803 C LEU B 67 5.942 -3.907 5.258 1.00 0.00 C ATOM 1804 O LEU B 67 7.164 -3.868 5.289 1.00 0.00 O ATOM 1805 CB LEU B 67 5.590 -3.384 2.858 1.00 0.00 C ATOM 1806 CG LEU B 67 4.923 -2.574 1.748 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.420 -3.035 0.388 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.410 -2.696 1.829 1.00 0.00 C ATOM 0 H LEU B 67 6.255 -1.245 4.097 1.00 0.00 H new ATOM 0 HA LEU B 67 4.100 -3.200 4.402 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.670 -3.259 2.774 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.378 -4.440 2.689 1.00 0.00 H new ATOM 0 HG LEU B 67 5.189 -1.525 1.880 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.936 -2.449 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.500 -2.897 0.329 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.181 -4.090 0.252 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.955 -2.112 1.030 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.123 -3.742 1.722 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.066 -2.322 2.793 1.00 0.00 H new ATOM 1820 N VAL B 68 5.227 -4.685 6.047 1.00 0.00 N ATOM 1821 CA VAL B 68 5.858 -5.572 7.010 1.00 0.00 C ATOM 1822 C VAL B 68 5.913 -6.983 6.448 1.00 0.00 C ATOM 1823 O VAL B 68 4.892 -7.671 6.351 1.00 0.00 O ATOM 1824 CB VAL B 68 5.098 -5.588 8.355 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.832 -6.431 9.388 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.885 -4.172 8.865 1.00 0.00 C ATOM 0 H VAL B 68 4.208 -4.722 6.042 1.00 0.00 H new ATOM 0 HA VAL B 68 6.866 -5.200 7.193 1.00 0.00 H new ATOM 0 HB VAL B 68 4.122 -6.042 8.187 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.275 -6.425 10.325 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.921 -7.455 9.025 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.827 -6.018 9.555 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.348 -4.204 9.813 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.851 -3.689 9.011 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.303 -3.607 8.137 1.00 0.00 H new ATOM 1836 N LEU B 69 7.098 -7.406 6.054 1.00 0.00 N ATOM 1837 CA LEU B 69 7.271 -8.731 5.497 1.00 0.00 C ATOM 1838 C LEU B 69 7.518 -9.726 6.618 1.00 0.00 C ATOM 1839 O LEU B 69 8.208 -9.412 7.589 1.00 0.00 O ATOM 1840 CB LEU B 69 8.422 -8.771 4.491 1.00 0.00 C ATOM 1841 CG LEU B 69 8.383 -7.700 3.399 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.084 -8.186 2.147 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.969 -7.289 3.055 1.00 0.00 C ATOM 0 H LEU B 69 7.953 -6.852 6.109 1.00 0.00 H new ATOM 0 HA LEU B 69 6.359 -8.999 4.964 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.361 -8.674 5.036 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.430 -9.751 4.014 1.00 0.00 H new ATOM 0 HG LEU B 69 8.903 -6.828 3.795 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.045 -7.409 1.383 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.124 -8.415 2.378 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.588 -9.084 1.778 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.991 -6.527 2.276 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.414 -8.157 2.699 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.481 -6.886 3.943 1.00 0.00 H new ATOM 1855 N HIS B 70 6.981 -10.928 6.479 1.00 0.00 N ATOM 1856 CA HIS B 70 7.146 -11.959 7.505 1.00 0.00 C ATOM 1857 C HIS B 70 8.541 -12.573 7.442 1.00 0.00 C ATOM 1858 O HIS B 70 8.840 -13.544 8.134 1.00 0.00 O ATOM 1859 CB HIS B 70 6.068 -13.046 7.381 1.00 0.00 C ATOM 1860 CG HIS B 70 5.727 -13.421 5.972 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.509 -13.176 5.383 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.472 -14.042 5.028 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.565 -13.648 4.134 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.728 -14.190 3.883 1.00 0.00 N ATOM 0 H HIS B 70 6.429 -11.218 5.672 1.00 0.00 H new ATOM 0 HA HIS B 70 7.028 -11.480 8.477 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.406 -13.937 7.910 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.163 -12.702 7.882 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.709 -12.718 5.819 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.493 -14.370 5.155 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.754 -13.589 3.423 1.00 0.00 H new ATOM 1872 N ALA B 71 9.383 -11.996 6.595 1.00 0.00 N ATOM 1873 CA ALA B 71 10.756 -12.444 6.442 1.00 0.00 C ATOM 1874 C ALA B 71 11.681 -11.572 7.281 1.00 0.00 C ATOM 1875 O ALA B 71 12.888 -11.799 7.338 1.00 0.00 O ATOM 1876 CB ALA B 71 11.167 -12.393 4.978 1.00 0.00 C ATOM 0 H ALA B 71 9.133 -11.208 5.998 1.00 0.00 H new ATOM 0 HA ALA B 71 10.833 -13.475 6.787 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.198 -12.731 4.878 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.514 -13.041 4.394 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.084 -11.370 4.612 1.00 0.00 H new ATOM 1882 N GLY B 72 11.098 -10.571 7.933 1.00 0.00 N ATOM 1883 CA GLY B 72 11.874 -9.667 8.758 1.00 0.00 C ATOM 1884 C GLY B 72 12.284 -8.421 8.003 1.00 0.00 C ATOM 1885 O GLY B 72 13.363 -7.877 8.229 1.00 0.00 O ATOM 0 H GLY B 72 10.098 -10.370 7.904 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.290 -9.384 9.634 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.764 -10.181 9.120 1.00 0.00 H new ATOM 1889 N ASP B 73 11.416 -7.967 7.109 1.00 0.00 N ATOM 1890 CA ASP B 73 11.692 -6.781 6.303 1.00 0.00 C ATOM 1891 C ASP B 73 10.532 -5.793 6.394 1.00 0.00 C ATOM 1892 O ASP B 73 9.401 -6.185 6.681 1.00 0.00 O ATOM 1893 CB ASP B 73 11.937 -7.179 4.843 1.00 0.00 C ATOM 1894 CG ASP B 73 12.162 -5.981 3.938 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.875 -5.045 4.356 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.612 -5.971 2.817 1.00 0.00 O ATOM 0 H ASP B 73 10.512 -8.402 6.922 1.00 0.00 H new ATOM 0 HA ASP B 73 12.589 -6.298 6.691 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.805 -7.836 4.791 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.083 -7.749 4.478 1.00 0.00 H new ATOM 1901 N THR B 74 10.820 -4.521 6.155 1.00 0.00 N ATOM 1902 CA THR B 74 9.813 -3.474 6.198 1.00 0.00 C ATOM 1903 C THR B 74 10.125 -2.396 5.162 1.00 0.00 C ATOM 1904 O THR B 74 11.250 -1.902 5.090 1.00 0.00 O ATOM 1905 CB THR B 74 9.732 -2.830 7.596 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.041 -2.754 8.177 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.813 -3.621 8.512 1.00 0.00 C ATOM 0 H THR B 74 11.757 -4.188 5.926 1.00 0.00 H new ATOM 0 HA THR B 74 8.851 -3.933 5.971 1.00 0.00 H new ATOM 0 HB THR B 74 9.323 -1.826 7.482 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.982 -2.342 9.064 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.776 -3.143 9.491 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.811 -3.651 8.084 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.192 -4.637 8.619 1.00 0.00 H new ATOM 1915 N THR B 75 9.128 -2.022 4.374 1.00 0.00 N ATOM 1916 CA THR B 75 9.316 -1.007 3.344 1.00 0.00 C ATOM 1917 C THR B 75 8.441 0.222 3.605 1.00 0.00 C ATOM 1918 O THR B 75 7.217 0.133 3.583 1.00 0.00 O ATOM 1919 CB THR B 75 8.977 -1.580 1.958 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.243 -2.989 1.932 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.791 -0.888 0.876 1.00 0.00 C ATOM 0 H THR B 75 8.183 -2.403 4.426 1.00 0.00 H new ATOM 0 HA THR B 75 10.363 -0.705 3.372 1.00 0.00 H new ATOM 0 HB THR B 75 7.918 -1.406 1.765 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.519 -3.253 1.029 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.536 -1.309 -0.097 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.568 0.179 0.880 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.853 -1.038 1.068 1.00 0.00 H new ATOM 1929 N ASN B 76 9.073 1.366 3.847 1.00 0.00 N ATOM 1930 CA ASN B 76 8.345 2.612 4.112 1.00 0.00 C ATOM 1931 C ASN B 76 8.071 3.365 2.812 1.00 0.00 C ATOM 1932 O ASN B 76 8.999 3.853 2.168 1.00 0.00 O ATOM 1933 CB ASN B 76 9.149 3.517 5.044 1.00 0.00 C ATOM 1934 CG ASN B 76 9.026 3.132 6.498 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.800 1.972 6.840 1.00 0.00 O ATOM 1936 ND2 ASN B 76 9.167 4.114 7.366 1.00 0.00 N ATOM 0 H ASN B 76 10.088 1.461 3.866 1.00 0.00 H new ATOM 0 HA ASN B 76 7.399 2.347 4.585 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.199 3.485 4.754 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.814 4.547 4.918 1.00 0.00 H new ATOM 0 HD21 ASN B 76 9.089 3.926 8.366 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.354 5.062 7.038 1.00 0.00 H new ATOM 1943 N PHE B 77 6.807 3.459 2.427 1.00 0.00 N ATOM 1944 CA PHE B 77 6.430 4.160 1.204 1.00 0.00 C ATOM 1945 C PHE B 77 5.674 5.450 1.507 1.00 0.00 C ATOM 1946 O PHE B 77 4.546 5.423 1.989 1.00 0.00 O ATOM 1947 CB PHE B 77 5.580 3.257 0.310 1.00 0.00 C ATOM 1948 CG PHE B 77 6.387 2.260 -0.470 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.558 2.648 -1.099 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.975 0.942 -0.577 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.305 1.740 -1.820 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.720 0.029 -1.298 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.885 0.430 -1.920 1.00 0.00 C ATOM 0 H PHE B 77 6.023 3.059 2.943 1.00 0.00 H new ATOM 0 HA PHE B 77 7.349 4.421 0.680 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.857 2.724 0.927 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.012 3.876 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.890 3.673 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.063 0.625 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.217 2.054 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.391 -0.997 -1.375 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.468 -0.282 -2.485 1.00 0.00 H new ATOM 1963 N HIS B 78 6.310 6.573 1.219 1.00 0.00 N ATOM 1964 CA HIS B 78 5.725 7.890 1.437 1.00 0.00 C ATOM 1965 C HIS B 78 4.930 8.323 0.209 1.00 0.00 C ATOM 1966 O HIS B 78 5.471 8.402 -0.893 1.00 0.00 O ATOM 1967 CB HIS B 78 6.848 8.902 1.740 1.00 0.00 C ATOM 1968 CG HIS B 78 6.458 10.353 1.656 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.251 10.958 1.803 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.354 11.364 1.388 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 5.403 12.330 1.624 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 6.682 12.522 1.379 1.00 0.00 N flip ATOM 0 H HIS B 78 7.251 6.600 0.826 1.00 0.00 H new ATOM 0 HA HIS B 78 5.043 7.849 2.286 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.229 8.705 2.742 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.669 8.725 1.046 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.413 11.244 1.215 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.630 13.083 1.676 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.106 13.433 1.205 1.00 0.00 H new ATOM 1980 N PHE B 79 3.651 8.600 0.398 1.00 0.00 N ATOM 1981 CA PHE B 79 2.803 9.043 -0.694 1.00 0.00 C ATOM 1982 C PHE B 79 2.953 10.549 -0.873 1.00 0.00 C ATOM 1983 O PHE B 79 2.214 11.334 -0.281 1.00 0.00 O ATOM 1984 CB PHE B 79 1.340 8.673 -0.426 1.00 0.00 C ATOM 1985 CG PHE B 79 1.075 7.195 -0.496 1.00 0.00 C ATOM 1986 CD1 PHE B 79 0.752 6.593 -1.702 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.151 6.407 0.640 1.00 0.00 C ATOM 1988 CE1 PHE B 79 0.510 5.234 -1.771 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.912 5.048 0.576 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.590 4.460 -0.632 1.00 0.00 C ATOM 0 H PHE B 79 3.177 8.526 1.298 1.00 0.00 H new ATOM 0 HA PHE B 79 3.111 8.542 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.055 9.039 0.560 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.705 9.183 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE B 79 0.689 7.193 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.400 6.861 1.588 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.258 4.778 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.977 4.445 1.470 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.402 3.398 -0.684 1.00 0.00 H new ATOM 2000 N SER B 80 3.928 10.943 -1.680 1.00 0.00 N ATOM 2001 CA SER B 80 4.204 12.353 -1.925 1.00 0.00 C ATOM 2002 C SER B 80 3.396 12.887 -3.105 1.00 0.00 C ATOM 2003 O SER B 80 3.709 13.939 -3.662 1.00 0.00 O ATOM 2004 CB SER B 80 5.700 12.552 -2.175 1.00 0.00 C ATOM 2005 OG SER B 80 6.217 11.546 -3.033 1.00 0.00 O ATOM 0 H SER B 80 4.545 10.302 -2.179 1.00 0.00 H new ATOM 0 HA SER B 80 3.905 12.915 -1.040 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.870 13.533 -2.618 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.235 12.534 -1.226 1.00 0.00 H new ATOM 0 HG SER B 80 5.483 11.139 -3.539 1.00 0.00 H new ATOM 2011 N ASN B 81 2.366 12.155 -3.490 1.00 0.00 N ATOM 2012 CA ASN B 81 1.517 12.569 -4.593 1.00 0.00 C ATOM 2013 C ASN B 81 0.413 13.472 -4.063 1.00 0.00 C ATOM 2014 O ASN B 81 -0.643 13.004 -3.666 1.00 0.00 O ATOM 2015 CB ASN B 81 0.923 11.344 -5.292 1.00 0.00 C ATOM 2016 CG ASN B 81 0.386 11.663 -6.672 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.882 12.559 -7.359 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.623 10.923 -7.094 1.00 0.00 N ATOM 0 H ASN B 81 2.097 11.272 -3.056 1.00 0.00 H new ATOM 0 HA ASN B 81 2.110 13.120 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.687 10.571 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.120 10.935 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.021 11.083 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -1.005 10.191 -6.494 1.00 0.00 H new ATOM 2025 N GLU B 82 0.676 14.771 -4.069 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.260 15.780 -3.561 1.00 0.00 C ATOM 2027 C GLU B 82 -1.692 15.603 -4.089 1.00 0.00 C ATOM 2028 O GLU B 82 -2.660 15.891 -3.383 1.00 0.00 O ATOM 2029 CB GLU B 82 0.261 17.191 -3.892 1.00 0.00 C ATOM 2030 CG GLU B 82 0.209 17.568 -5.375 1.00 0.00 C ATOM 2031 CD GLU B 82 0.910 16.569 -6.278 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.152 16.478 -6.238 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.216 15.844 -7.021 1.00 0.00 O ATOM 0 H GLU B 82 1.547 15.163 -4.427 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.313 15.645 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.321 17.919 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.292 17.271 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.833 17.656 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.665 18.549 -5.509 1.00 0.00 H new ATOM 2040 N SER B 83 -1.819 15.116 -5.313 1.00 0.00 N ATOM 2041 CA SER B 83 -3.119 14.922 -5.933 1.00 0.00 C ATOM 2042 C SER B 83 -3.976 13.867 -5.219 1.00 0.00 C ATOM 2043 O SER B 83 -5.132 14.132 -4.865 1.00 0.00 O ATOM 2044 CB SER B 83 -2.934 14.535 -7.403 1.00 0.00 C ATOM 2045 OG SER B 83 -2.169 15.507 -8.096 1.00 0.00 O ATOM 0 H SER B 83 -1.030 14.846 -5.901 1.00 0.00 H new ATOM 0 HA SER B 83 -3.655 15.868 -5.853 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.440 13.566 -7.467 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.909 14.428 -7.879 1.00 0.00 H new ATOM 0 HG SER B 83 -1.219 15.385 -7.888 1.00 0.00 H new ATOM 2051 N THR B 84 -3.427 12.680 -4.988 1.00 0.00 N ATOM 2052 CA THR B 84 -4.203 11.612 -4.368 1.00 0.00 C ATOM 2053 C THR B 84 -3.469 10.877 -3.240 1.00 0.00 C ATOM 2054 O THR B 84 -3.830 9.755 -2.929 1.00 0.00 O ATOM 2055 CB THR B 84 -4.616 10.590 -5.445 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.628 10.562 -6.479 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.966 10.937 -6.052 1.00 0.00 C ATOM 0 H THR B 84 -2.464 12.435 -5.216 1.00 0.00 H new ATOM 0 HA THR B 84 -5.071 12.091 -3.914 1.00 0.00 H new ATOM 0 HB THR B 84 -4.695 9.612 -4.970 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.774 10.257 -6.107 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.227 10.196 -6.808 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.726 10.941 -5.271 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.915 11.923 -6.514 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.494 11.525 -2.607 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.695 10.914 -1.527 1.00 0.00 C ATOM 2067 C ALA B 85 -2.520 10.065 -0.559 1.00 0.00 C ATOM 2068 O ALA B 85 -2.355 8.847 -0.490 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.957 11.992 -0.749 1.00 0.00 C ATOM 0 H ALA B 85 -2.229 12.486 -2.821 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.990 10.242 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.371 11.530 0.045 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.293 12.536 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.678 12.684 -0.313 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.401 10.716 0.186 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.242 10.035 1.166 1.00 0.00 C ATOM 2077 C VAL B 86 -5.141 8.988 0.511 1.00 0.00 C ATOM 2078 O VAL B 86 -5.290 7.875 1.013 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.125 11.043 1.928 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.770 10.387 3.134 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.317 12.261 2.349 1.00 0.00 C ATOM 0 H VAL B 86 -3.554 11.723 0.131 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.569 9.535 1.863 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.916 11.376 1.255 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.389 11.116 3.657 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.391 9.553 2.806 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.995 10.020 3.806 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.962 12.958 2.885 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.500 11.949 3.000 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.909 12.751 1.465 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.707 9.348 -0.630 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.613 8.469 -1.358 1.00 0.00 C ATOM 2093 C LYS B 87 -5.895 7.205 -1.841 1.00 0.00 C ATOM 2094 O LYS B 87 -6.415 6.097 -1.707 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.228 9.234 -2.533 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.808 10.584 -2.125 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.682 11.610 -3.239 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.922 13.025 -2.735 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.626 14.050 -3.778 1.00 0.00 N ATOM 0 H LYS B 87 -5.554 10.252 -1.077 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.408 8.148 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.467 9.388 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.014 8.628 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.858 10.463 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.293 10.947 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.688 11.546 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.398 11.379 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.959 13.124 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.299 13.208 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.945 14.983 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.602 14.078 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.124 13.805 -4.657 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.698 7.379 -2.389 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.903 6.257 -2.870 1.00 0.00 C ATOM 2115 C GLU B 88 -3.471 5.392 -1.694 1.00 0.00 C ATOM 2116 O GLU B 88 -3.446 4.169 -1.788 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.673 6.755 -3.645 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.993 7.249 -5.051 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.859 8.047 -5.676 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.698 9.233 -5.316 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.145 7.506 -6.545 1.00 0.00 O ATOM 0 H GLU B 88 -4.256 8.290 -2.511 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.513 5.661 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.204 7.563 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.944 5.947 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.221 6.394 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.889 7.868 -5.017 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.165 6.048 -0.576 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.738 5.364 0.642 1.00 0.00 C ATOM 2130 C ARG B 89 -3.739 4.290 1.060 1.00 0.00 C ATOM 2131 O ARG B 89 -3.360 3.152 1.343 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.563 6.381 1.783 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.134 5.768 3.112 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.312 5.580 4.065 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.701 6.821 4.739 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.176 6.873 5.989 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -4.318 5.758 6.696 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -4.515 8.036 6.529 1.00 0.00 N ATOM 0 H ARG B 89 -3.206 7.063 -0.489 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.785 4.878 0.434 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.822 7.122 1.483 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.504 6.912 1.928 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.659 4.804 2.929 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.387 6.408 3.582 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -4.165 5.191 3.509 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.052 4.832 4.814 1.00 0.00 H new ATOM 0 HE ARG B 89 -3.604 7.697 4.225 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.065 4.859 6.287 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.680 5.801 7.649 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.414 8.897 5.991 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.877 8.070 7.482 1.00 0.00 H new ATOM 2152 N ASP B 90 -5.013 4.650 1.087 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.053 3.717 1.498 1.00 0.00 C ATOM 2154 C ASP B 90 -6.405 2.710 0.416 1.00 0.00 C ATOM 2155 O ASP B 90 -6.761 1.574 0.728 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.304 4.465 1.949 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.271 4.759 3.431 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.412 3.801 4.225 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.084 5.930 3.801 1.00 0.00 O ATOM 0 H ASP B 90 -5.352 5.577 0.831 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.647 3.154 2.338 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.390 5.399 1.394 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.188 3.872 1.715 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.266 3.095 -0.846 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.597 2.194 -1.941 1.00 0.00 C ATOM 2166 C ALA B 91 -5.551 1.104 -2.020 1.00 0.00 C ATOM 2167 O ALA B 91 -5.860 -0.067 -2.238 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.694 2.942 -3.257 1.00 0.00 C ATOM 0 H ALA B 91 -5.930 4.014 -1.134 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.573 1.747 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.942 2.243 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.471 3.703 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.738 3.418 -3.476 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.307 1.512 -1.831 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.194 0.592 -1.835 1.00 0.00 C ATOM 2176 C VAL B 92 -3.318 -0.338 -0.637 1.00 0.00 C ATOM 2177 O VAL B 92 -3.154 -1.549 -0.758 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.852 1.351 -1.780 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.705 0.407 -1.501 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.615 2.102 -3.075 1.00 0.00 C ATOM 0 H VAL B 92 -4.047 2.485 -1.672 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.214 0.013 -2.758 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.905 2.070 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.229 0.969 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.865 -0.087 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.650 -0.342 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.664 2.632 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.589 1.396 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.421 2.819 -3.233 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.646 0.258 0.506 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.830 -0.473 1.755 1.00 0.00 C ATOM 2192 C LYS B 93 -4.806 -1.625 1.568 1.00 0.00 C ATOM 2193 O LYS B 93 -4.484 -2.787 1.824 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.372 0.484 2.824 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.565 -0.147 4.192 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.991 -0.652 4.404 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.931 0.458 4.854 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.439 1.263 3.712 1.00 0.00 N ATOM 0 H LYS B 93 -3.792 1.264 0.592 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.868 -0.880 2.067 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.688 1.327 2.920 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.327 0.885 2.484 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.868 -0.977 4.308 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.323 0.584 4.964 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.363 -1.087 3.476 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.986 -1.447 5.150 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.773 0.022 5.392 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.410 1.112 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.400 1.599 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.813 2.079 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.459 0.675 2.855 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.999 -1.274 1.122 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.066 -2.238 0.892 1.00 0.00 C ATOM 2214 C ASP B 94 -6.649 -3.314 -0.091 1.00 0.00 C ATOM 2215 O ASP B 94 -6.653 -4.496 0.247 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.326 -1.528 0.389 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.249 -1.117 1.517 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.975 -0.086 2.168 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.244 -1.828 1.755 1.00 0.00 O ATOM 0 H ASP B 94 -6.258 -0.311 0.908 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.281 -2.722 1.845 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.038 -0.645 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.863 -2.187 -0.294 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.265 -2.905 -1.296 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.853 -3.848 -2.329 1.00 0.00 C ATOM 2226 C LEU B 95 -4.764 -4.783 -1.810 1.00 0.00 C ATOM 2227 O LEU B 95 -4.847 -6.000 -1.978 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.360 -3.105 -3.573 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.179 -3.976 -4.818 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.516 -4.538 -5.279 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.523 -3.180 -5.934 1.00 0.00 C ATOM 0 H LEU B 95 -6.231 -1.926 -1.581 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.722 -4.447 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.066 -2.308 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.408 -2.629 -3.340 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.527 -4.811 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.365 -5.154 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.949 -5.145 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.193 -3.718 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.402 -3.815 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.150 -2.325 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.546 -2.828 -5.604 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.768 -4.214 -1.149 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.669 -4.997 -0.611 1.00 0.00 C ATOM 2245 C LEU B 96 -3.131 -5.970 0.464 1.00 0.00 C ATOM 2246 O LEU B 96 -2.822 -7.154 0.386 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.578 -4.093 -0.049 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.486 -3.699 -1.043 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.463 -2.691 -0.420 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.280 -4.930 -1.498 1.00 0.00 C ATOM 0 H LEU B 96 -3.699 -3.212 -0.973 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.264 -5.577 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.043 -3.185 0.335 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.112 -4.596 0.798 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.959 -3.239 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.234 -2.422 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.092 -1.798 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.930 -3.128 0.463 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.055 -4.635 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.741 -5.411 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.405 -5.627 -1.980 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.895 -5.499 1.450 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.334 -6.386 2.525 1.00 0.00 C ATOM 2264 C GLN B 97 -5.336 -7.414 2.026 1.00 0.00 C ATOM 2265 O GLN B 97 -5.492 -8.465 2.632 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.877 -5.616 3.743 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.277 -5.045 3.605 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.832 -4.562 4.941 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.363 -5.149 6.047 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.657 -3.656 4.987 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.216 -4.534 1.527 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.448 -6.922 2.865 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.863 -6.283 4.605 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.193 -4.797 3.963 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.262 -4.216 2.898 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.939 -5.805 3.191 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.995 -3.229 4.124 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.006 -3.329 5.888 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.996 -7.121 0.916 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.955 -8.052 0.338 1.00 0.00 C ATOM 2281 C GLN B 98 -6.226 -9.182 -0.383 1.00 0.00 C ATOM 2282 O GLN B 98 -6.653 -10.335 -0.349 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.886 -7.329 -0.636 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.005 -6.563 0.049 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.663 -5.545 -0.862 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -9.737 -5.732 -2.076 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.143 -4.454 -0.282 1.00 0.00 N ATOM 0 H GLN B 98 -5.886 -6.249 0.398 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.553 -8.473 1.146 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.300 -6.637 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.321 -8.058 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.758 -7.267 0.403 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.607 -6.054 0.927 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.062 -4.336 0.728 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.593 -3.733 -0.846 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.119 -8.843 -1.030 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.332 -9.824 -1.769 1.00 0.00 C ATOM 2298 C LEU B 99 -3.309 -10.518 -0.870 1.00 0.00 C ATOM 2299 O LEU B 99 -2.871 -11.632 -1.158 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.621 -9.147 -2.938 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.558 -8.477 -3.935 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.819 -7.418 -4.742 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.191 -9.510 -4.853 1.00 0.00 C ATOM 0 H LEU B 99 -4.744 -7.895 -1.059 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.016 -10.584 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.931 -8.400 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.021 -9.890 -3.463 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.354 -7.984 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.507 -6.952 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.421 -6.659 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.999 -7.884 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.857 -9.011 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.410 -10.036 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.761 -10.224 -4.259 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.951 -9.850 0.223 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.969 -10.359 1.187 1.00 0.00 C ATOM 2317 C LEU B 100 -2.184 -11.822 1.590 1.00 0.00 C ATOM 2318 O LEU B 100 -1.268 -12.637 1.457 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.940 -9.475 2.439 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.938 -8.331 2.378 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.984 -7.492 3.646 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.446 -8.893 2.154 1.00 0.00 C ATOM 0 H LEU B 100 -3.333 -8.937 0.470 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.008 -10.321 0.673 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.936 -9.062 2.600 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.710 -10.098 3.303 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.199 -7.676 1.547 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.258 -6.683 3.573 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.983 -7.073 3.769 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.745 -8.118 4.505 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.167 -8.077 2.110 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.705 -9.562 2.975 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.466 -9.447 1.215 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.370 -12.192 2.099 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.626 -13.560 2.523 1.00 0.00 C ATOM 2336 C PRO B 101 -3.963 -14.492 1.360 1.00 0.00 C ATOM 2337 O PRO B 101 -4.056 -15.704 1.536 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.800 -13.412 3.484 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.532 -12.191 3.039 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.548 -11.327 2.298 1.00 0.00 C ATOM 0 HA PRO B 101 -2.749 -14.020 2.978 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.446 -14.290 3.452 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.454 -13.308 4.512 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.370 -12.458 2.395 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.945 -11.657 3.895 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.956 -10.988 1.346 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.293 -10.435 2.871 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.126 -13.924 0.171 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.451 -14.712 -1.014 1.00 0.00 C ATOM 2350 C LYS B 102 -3.192 -15.330 -1.611 1.00 0.00 C ATOM 2351 O LYS B 102 -3.231 -16.411 -2.191 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.144 -13.840 -2.065 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.567 -13.448 -1.702 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.174 -12.540 -2.763 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.645 -12.261 -2.495 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.867 -11.651 -1.159 1.00 0.00 N ATOM 0 H LYS B 102 -4.039 -12.922 0.001 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.128 -15.511 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.556 -12.935 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.156 -14.374 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.178 -14.344 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.573 -12.940 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.625 -11.599 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.065 -13.004 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.033 -11.595 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.208 -13.192 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.760 -11.118 -1.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.916 -12.400 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.081 -11.007 -0.936 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.077 -14.630 -1.464 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.800 -15.096 -1.992 1.00 0.00 C ATOM 2372 C PHE B 103 0.125 -15.525 -0.867 1.00 0.00 C ATOM 2373 O PHE B 103 1.298 -15.774 -1.089 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.157 -13.997 -2.837 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.994 -13.622 -4.028 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.131 -14.496 -5.096 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.655 -12.407 -4.073 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.913 -14.162 -6.186 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.434 -12.067 -5.161 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.564 -12.945 -6.218 1.00 0.00 C ATOM 0 H PHE B 103 -2.029 -13.733 -0.981 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.977 -15.966 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.004 -13.114 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.823 -14.331 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -0.621 -15.448 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.560 -11.717 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.014 -14.852 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.942 -11.114 -5.185 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.174 -12.680 -7.069 1.00 0.00 H new