USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 364 hydrogens (2 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 498 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-11!) USER MOD Set 1.2: B 931 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 500 THR OG1 : rot -40:sc= 0.784! USER MOD Set 2.2: A 502 THR OG1 : rot -79:sc= 0.985 USER MOD Single : A 485 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 490 ASN : amide:sc= -1.03 K(o=-1,f=-6.8!) USER MOD Single : A 499 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.3!) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 504 THR OG1 : rot -55:sc= 1.27 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -10.456 11.136 -1.541 1.00 15.00 N ATOM 2 CA PHE A 478 -10.714 9.720 -1.885 1.00 15.00 C ATOM 3 C PHE A 478 -9.989 8.808 -0.904 1.00 15.00 C ATOM 4 O PHE A 478 -10.609 8.066 -0.143 1.00 15.00 O ATOM 5 CB PHE A 478 -10.227 9.418 -3.307 1.00 15.00 C ATOM 6 CG PHE A 478 -10.770 10.346 -4.356 1.00 15.00 C ATOM 7 CD1 PHE A 478 -12.026 10.139 -4.901 1.00 15.00 C ATOM 8 CD2 PHE A 478 -10.020 11.421 -4.802 1.00 15.00 C ATOM 9 CE1 PHE A 478 -12.524 10.990 -5.870 1.00 15.00 C ATOM 10 CE2 PHE A 478 -10.513 12.275 -5.769 1.00 15.00 C ATOM 11 CZ PHE A 478 -11.766 12.060 -6.305 1.00 15.00 C ATOM 0 HA PHE A 478 -11.788 9.541 -1.828 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.138 9.467 -3.324 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.504 8.396 -3.564 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -12.623 9.304 -4.565 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -9.037 11.594 -4.389 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -13.505 10.818 -6.287 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -9.918 13.111 -6.106 1.00 15.00 H new ATOM 0 HZ PHE A 478 -12.153 12.726 -7.062 1.00 15.00 H new ATOM 21 N LEU A 479 -8.671 8.893 -0.922 1.00 15.00 N ATOM 22 CA LEU A 479 -7.824 8.061 -0.087 1.00 15.00 C ATOM 23 C LEU A 479 -7.160 8.936 0.980 1.00 15.00 C ATOM 24 O LEU A 479 -6.751 10.061 0.682 1.00 15.00 O ATOM 25 CB LEU A 479 -6.771 7.391 -0.981 1.00 15.00 C ATOM 26 CG LEU A 479 -6.080 6.149 -0.415 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.073 5.016 -0.211 1.00 15.00 C ATOM 28 CD2 LEU A 479 -4.983 5.704 -1.363 1.00 15.00 C ATOM 0 H LEU A 479 -8.157 9.542 -1.517 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.408 7.290 0.415 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.248 7.116 -1.922 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.005 8.129 -1.216 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.651 6.404 0.554 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -6.555 4.146 0.192 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.848 5.333 0.487 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.530 4.756 -1.166 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.491 4.819 -0.960 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.416 5.467 -2.335 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.253 6.505 -1.477 1.00 15.00 H new ATOM 40 N PRO A 480 -7.072 8.455 2.234 1.00 15.00 N ATOM 41 CA PRO A 480 -6.414 9.187 3.332 1.00 15.00 C ATOM 42 C PRO A 480 -5.020 9.689 2.945 1.00 15.00 C ATOM 43 O PRO A 480 -4.291 9.010 2.229 1.00 15.00 O ATOM 44 CB PRO A 480 -6.323 8.139 4.439 1.00 15.00 C ATOM 45 CG PRO A 480 -7.469 7.224 4.183 1.00 15.00 C ATOM 46 CD PRO A 480 -7.619 7.164 2.689 1.00 15.00 C ATOM 0 HA PRO A 480 -6.963 10.084 3.618 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.373 7.605 4.403 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.394 8.597 5.426 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.279 6.234 4.597 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.379 7.596 4.653 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.070 6.324 2.264 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -8.662 7.044 2.395 1.00 15.00 H new ATOM 54 N PRO A 481 -4.621 10.869 3.460 1.00 15.00 N ATOM 55 CA PRO A 481 -3.386 11.564 3.043 1.00 15.00 C ATOM 56 C PRO A 481 -2.108 10.747 3.237 1.00 15.00 C ATOM 57 O PRO A 481 -1.065 11.069 2.660 1.00 15.00 O ATOM 58 CB PRO A 481 -3.349 12.810 3.931 1.00 15.00 C ATOM 59 CG PRO A 481 -4.751 13.000 4.392 1.00 15.00 C ATOM 60 CD PRO A 481 -5.340 11.623 4.500 1.00 15.00 C ATOM 0 HA PRO A 481 -3.412 11.770 1.973 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -2.672 12.673 4.774 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -2.995 13.679 3.376 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -4.780 13.513 5.353 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.314 13.611 3.687 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.183 11.194 5.490 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -6.415 11.630 4.322 1.00 15.00 H new ATOM 68 N GLY A 482 -2.167 9.719 4.070 1.00 15.00 N ATOM 69 CA GLY A 482 -1.007 8.872 4.256 1.00 15.00 C ATOM 70 C GLY A 482 -1.237 7.469 3.763 1.00 15.00 C ATOM 71 O GLY A 482 -0.325 6.654 3.775 1.00 15.00 O ATOM 0 H GLY A 482 -2.988 9.458 4.616 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.156 9.305 3.729 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.746 8.844 5.314 1.00 15.00 H new ATOM 75 N TRP A 483 -2.450 7.183 3.335 1.00 15.00 N ATOM 76 CA TRP A 483 -2.763 5.878 2.792 1.00 15.00 C ATOM 77 C TRP A 483 -2.640 5.924 1.293 1.00 15.00 C ATOM 78 O TRP A 483 -3.071 6.881 0.653 1.00 15.00 O ATOM 79 CB TRP A 483 -4.160 5.424 3.200 1.00 15.00 C ATOM 80 CG TRP A 483 -4.215 4.943 4.611 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.313 5.714 5.725 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.163 3.583 5.058 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.331 4.922 6.846 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.239 3.608 6.463 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.062 2.347 4.408 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.217 2.446 7.229 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.040 1.198 5.171 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.117 1.252 6.568 1.00 15.00 C ATOM 0 H TRP A 483 -3.234 7.836 3.353 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.056 5.153 3.196 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.859 6.251 3.074 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.488 4.626 2.534 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.369 6.793 5.728 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.401 5.256 7.807 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.003 2.294 3.331 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.277 2.485 8.307 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.962 0.238 4.681 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.097 0.333 7.135 1.00 15.00 H new ATOM 99 N GLU A 484 -2.047 4.897 0.742 1.00 15.00 N ATOM 100 CA GLU A 484 -1.792 4.851 -0.669 1.00 15.00 C ATOM 101 C GLU A 484 -2.057 3.511 -1.241 1.00 15.00 C ATOM 102 O GLU A 484 -1.915 2.483 -0.599 1.00 15.00 O ATOM 103 CB GLU A 484 -0.390 5.231 -1.009 1.00 15.00 C ATOM 104 CG GLU A 484 0.644 4.421 -0.290 1.00 15.00 C ATOM 105 CD GLU A 484 2.028 4.759 -0.749 1.00 15.00 C ATOM 106 OE1 GLU A 484 2.188 5.820 -1.383 1.00 15.00 O ATOM 107 OE2 GLU A 484 2.964 4.010 -0.435 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.730 4.076 1.257 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.478 5.578 -1.104 1.00 15.00 H new ATOM 0 HB2 GLU A 484 -0.243 5.120 -2.083 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.241 6.285 -0.774 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.563 4.597 0.783 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.455 3.360 -0.454 1.00 15.00 H new ATOM 114 N MET A 485 -2.417 3.563 -2.468 1.00 15.00 N ATOM 115 CA MET A 485 -2.727 2.362 -3.216 1.00 15.00 C ATOM 116 C MET A 485 -1.862 2.303 -4.461 1.00 15.00 C ATOM 117 O MET A 485 -1.766 3.247 -5.246 1.00 15.00 O ATOM 118 CB MET A 485 -4.212 2.263 -3.561 1.00 15.00 C ATOM 119 CG MET A 485 -4.635 3.265 -4.586 1.00 15.00 C ATOM 120 SD MET A 485 -6.361 3.766 -4.424 1.00 15.00 S ATOM 121 CE MET A 485 -6.491 4.965 -5.749 1.00 15.00 C ATOM 0 H MET A 485 -2.511 4.429 -2.999 1.00 15.00 H new ATOM 0 HA MET A 485 -2.504 1.500 -2.587 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.429 1.260 -3.928 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.801 2.405 -2.655 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.999 4.147 -4.506 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.477 2.847 -5.580 1.00 15.00 H new ATOM 0 HE1 MET A 485 -7.504 5.367 -5.778 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.784 5.776 -5.576 1.00 15.00 H new ATOM 0 HE3 MET A 485 -6.265 4.482 -6.700 1.00 15.00 H new ATOM 131 N ARG A 486 -1.237 1.176 -4.594 1.00 15.00 N ATOM 132 CA ARG A 486 -0.257 0.904 -5.634 1.00 15.00 C ATOM 133 C ARG A 486 -0.286 -0.578 -5.972 1.00 15.00 C ATOM 134 O ARG A 486 -0.394 -1.418 -5.076 1.00 15.00 O ATOM 135 CB ARG A 486 1.139 1.312 -5.147 1.00 15.00 C ATOM 136 CG ARG A 486 2.291 0.732 -5.963 1.00 15.00 C ATOM 137 CD ARG A 486 2.916 1.754 -6.898 1.00 15.00 C ATOM 138 NE ARG A 486 2.067 2.069 -8.044 1.00 15.00 N ATOM 139 CZ ARG A 486 2.301 3.075 -8.880 1.00 15.00 C ATOM 140 NH1 ARG A 486 3.318 3.898 -8.658 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 1.519 3.253 -9.934 1.00 15.00 N ATOM 0 H ARG A 486 -1.390 0.385 -3.969 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.497 1.480 -6.528 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.211 2.399 -5.163 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.253 1.000 -4.109 1.00 15.00 H new ATOM 0 HG2 ARG A 486 3.055 0.349 -5.286 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.929 -0.115 -6.546 1.00 15.00 H new ATOM 0 HD2 ARG A 486 3.122 2.669 -6.343 1.00 15.00 H new ATOM 0 HD3 ARG A 486 3.874 1.375 -7.255 1.00 15.00 H new ATOM 0 HE ARG A 486 1.249 1.484 -8.212 1.00 15.00 H new ATOM 0 HH11 ARG A 486 3.919 3.758 -7.846 1.00 15.00 H new ATOM 0 HH12 ARG A 486 3.498 4.670 -9.299 1.00 15.00 H new ATOM 0 HH21 ARG A 486 0.739 2.618 -10.103 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.697 4.025 -10.577 1.00 15.00 H new ATOM 155 N ILE A 487 -0.198 -0.901 -7.248 1.00 15.00 N ATOM 156 CA ILE A 487 -0.189 -2.291 -7.674 1.00 15.00 C ATOM 157 C ILE A 487 1.221 -2.746 -8.034 1.00 15.00 C ATOM 158 O ILE A 487 2.056 -1.946 -8.457 1.00 15.00 O ATOM 159 CB ILE A 487 -1.131 -2.540 -8.876 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.696 -1.713 -10.090 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.570 -2.215 -8.493 1.00 15.00 C ATOM 162 CD1 ILE A 487 -1.520 -1.973 -11.335 1.00 15.00 C ATOM 0 H ILE A 487 -0.132 -0.223 -8.007 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.553 -2.875 -6.828 1.00 15.00 H new ATOM 0 HB ILE A 487 -1.072 -3.594 -9.148 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.760 -0.654 -9.838 1.00 15.00 H new ATOM 0 HG13 ILE A 487 0.351 -1.927 -10.307 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.223 -2.394 -9.347 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.877 -2.849 -7.662 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.640 -1.169 -8.196 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -1.152 -1.351 -12.151 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -1.437 -3.024 -11.613 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.564 -1.731 -11.137 1.00 15.00 H new ATOM 174 N ALA A 488 1.486 -4.031 -7.844 1.00 15.00 N ATOM 175 CA ALA A 488 2.727 -4.622 -8.282 1.00 15.00 C ATOM 176 C ALA A 488 2.533 -5.120 -9.710 1.00 15.00 C ATOM 177 O ALA A 488 1.407 -5.455 -10.083 1.00 15.00 O ATOM 178 CB ALA A 488 3.160 -5.749 -7.357 1.00 15.00 C ATOM 0 H ALA A 488 0.848 -4.682 -7.385 1.00 15.00 H new ATOM 0 HA ALA A 488 3.522 -3.877 -8.254 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.098 -6.173 -7.715 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.299 -5.359 -6.349 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.393 -6.524 -7.344 1.00 15.00 H new ATOM 184 N PRO A 489 3.600 -5.139 -10.534 1.00 15.00 N ATOM 185 CA PRO A 489 3.512 -5.446 -11.983 1.00 15.00 C ATOM 186 C PRO A 489 2.877 -6.805 -12.320 1.00 15.00 C ATOM 187 O PRO A 489 2.783 -7.177 -13.488 1.00 15.00 O ATOM 188 CB PRO A 489 4.974 -5.426 -12.442 1.00 15.00 C ATOM 189 CG PRO A 489 5.679 -4.586 -11.434 1.00 15.00 C ATOM 190 CD PRO A 489 4.988 -4.850 -10.128 1.00 15.00 C ATOM 0 HA PRO A 489 2.861 -4.726 -12.479 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.391 -6.433 -12.479 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.068 -5.005 -13.443 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.736 -4.847 -11.377 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.625 -3.530 -11.698 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.436 -5.691 -9.598 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.042 -3.988 -9.462 1.00 15.00 H new ATOM 198 N ASN A 490 2.444 -7.539 -11.307 1.00 15.00 N ATOM 199 CA ASN A 490 1.802 -8.830 -11.506 1.00 15.00 C ATOM 200 C ASN A 490 0.344 -8.801 -11.030 1.00 15.00 C ATOM 201 O ASN A 490 -0.281 -9.848 -10.856 1.00 15.00 O ATOM 202 CB ASN A 490 2.590 -9.926 -10.775 1.00 15.00 C ATOM 203 CG ASN A 490 2.669 -9.715 -9.272 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.596 -8.588 -8.779 1.00 15.00 O ATOM 205 ND2 ASN A 490 2.848 -10.798 -8.534 1.00 15.00 N ATOM 0 H ASN A 490 2.527 -7.260 -10.330 1.00 15.00 H new ATOM 0 HA ASN A 490 1.797 -9.052 -12.573 1.00 15.00 H new ATOM 0 HB2 ASN A 490 2.125 -10.891 -10.975 1.00 15.00 H new ATOM 0 HB3 ASN A 490 3.600 -9.969 -11.182 1.00 15.00 H new ATOM 0 HD21 ASN A 490 2.931 -10.717 -7.521 1.00 15.00 H new ATOM 0 HD22 ASN A 490 2.903 -11.714 -8.978 1.00 15.00 H new ATOM 212 N GLY A 491 -0.200 -7.599 -10.842 1.00 15.00 N ATOM 213 CA GLY A 491 -1.601 -7.470 -10.459 1.00 15.00 C ATOM 214 C GLY A 491 -1.786 -7.474 -8.953 1.00 15.00 C ATOM 215 O GLY A 491 -2.758 -8.028 -8.434 1.00 15.00 O ATOM 0 H GLY A 491 0.300 -6.716 -10.947 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -2.005 -6.545 -10.871 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -2.172 -8.289 -10.896 1.00 15.00 H new ATOM 219 N ARG A 492 -0.842 -6.869 -8.256 1.00 15.00 N ATOM 220 CA ARG A 492 -0.750 -6.997 -6.808 1.00 15.00 C ATOM 221 C ARG A 492 -1.000 -5.655 -6.096 1.00 15.00 C ATOM 222 O ARG A 492 -0.088 -4.854 -5.952 1.00 15.00 O ATOM 223 CB ARG A 492 0.645 -7.529 -6.496 1.00 15.00 C ATOM 224 CG ARG A 492 0.846 -8.024 -5.106 1.00 15.00 C ATOM 225 CD ARG A 492 1.878 -9.130 -5.052 1.00 15.00 C ATOM 226 NE ARG A 492 1.443 -10.303 -5.800 1.00 15.00 N ATOM 227 CZ ARG A 492 1.785 -11.550 -5.478 1.00 15.00 C ATOM 228 NH1 ARG A 492 2.606 -11.767 -4.458 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 1.322 -12.576 -6.180 1.00 15.00 N ATOM 0 H ARG A 492 -0.121 -6.279 -8.671 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.519 -7.678 -6.443 1.00 15.00 H new ATOM 0 HB2 ARG A 492 0.868 -8.341 -7.188 1.00 15.00 H new ATOM 0 HB3 ARG A 492 1.369 -6.737 -6.689 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.162 -7.199 -4.468 1.00 15.00 H new ATOM 0 HG3 ARG A 492 -0.101 -8.390 -4.709 1.00 15.00 H new ATOM 0 HD2 ARG A 492 2.823 -8.768 -5.458 1.00 15.00 H new ATOM 0 HD3 ARG A 492 2.062 -9.407 -4.014 1.00 15.00 H new ATOM 0 HE ARG A 492 0.845 -10.162 -6.614 1.00 15.00 H new ATOM 0 HH11 ARG A 492 2.973 -10.980 -3.923 1.00 15.00 H new ATOM 0 HH12 ARG A 492 2.869 -12.720 -4.209 1.00 15.00 H new ATOM 0 HH21 ARG A 492 0.700 -12.413 -6.972 1.00 15.00 H new ATOM 0 HH22 ARG A 492 1.588 -13.528 -5.928 1.00 15.00 H new ATOM 243 N PRO A 493 -2.244 -5.384 -5.663 1.00 15.00 N ATOM 244 CA PRO A 493 -2.628 -4.096 -5.079 1.00 15.00 C ATOM 245 C PRO A 493 -2.450 -4.027 -3.557 1.00 15.00 C ATOM 246 O PRO A 493 -2.977 -4.869 -2.826 1.00 15.00 O ATOM 247 CB PRO A 493 -4.118 -3.987 -5.438 1.00 15.00 C ATOM 248 CG PRO A 493 -4.546 -5.348 -5.919 1.00 15.00 C ATOM 249 CD PRO A 493 -3.389 -6.290 -5.710 1.00 15.00 C ATOM 0 HA PRO A 493 -2.002 -3.289 -5.460 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.704 -3.681 -4.571 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.276 -3.235 -6.211 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.423 -5.690 -5.369 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -4.825 -5.312 -6.972 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.493 -6.860 -4.787 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.302 -7.011 -6.522 1.00 15.00 H new ATOM 257 N PHE A 494 -1.726 -3.009 -3.087 1.00 15.00 N ATOM 258 CA PHE A 494 -1.475 -2.831 -1.654 1.00 15.00 C ATOM 259 C PHE A 494 -1.748 -1.400 -1.196 1.00 15.00 C ATOM 260 O PHE A 494 -1.614 -0.452 -1.975 1.00 15.00 O ATOM 261 CB PHE A 494 -0.036 -3.226 -1.292 1.00 15.00 C ATOM 262 CG PHE A 494 1.056 -2.526 -2.067 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.345 -1.188 -1.855 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.814 -3.227 -2.987 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.365 -0.564 -2.548 1.00 15.00 C ATOM 266 CE2 PHE A 494 2.835 -2.614 -3.681 1.00 15.00 C ATOM 267 CZ PHE A 494 3.111 -1.279 -3.462 1.00 15.00 C ATOM 0 H PHE A 494 -1.302 -2.294 -3.678 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.168 -3.490 -1.132 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.117 -3.032 -0.230 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.073 -4.301 -1.439 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.765 -0.625 -1.139 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.603 -4.271 -3.164 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.577 0.481 -2.374 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.418 -3.177 -4.395 1.00 15.00 H new ATOM 0 HZ PHE A 494 3.909 -0.795 -4.005 1.00 15.00 H new ATOM 277 N PHE A 495 -2.149 -1.255 0.068 1.00 15.00 N ATOM 278 CA PHE A 495 -2.294 0.056 0.688 1.00 15.00 C ATOM 279 C PHE A 495 -1.151 0.307 1.670 1.00 15.00 C ATOM 280 O PHE A 495 -1.012 -0.404 2.662 1.00 15.00 O ATOM 281 CB PHE A 495 -3.624 0.197 1.442 1.00 15.00 C ATOM 282 CG PHE A 495 -4.849 0.021 0.593 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.003 0.743 -0.577 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.855 -0.855 0.976 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.132 0.597 -1.356 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.991 -1.006 0.204 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.130 -0.279 -0.966 1.00 15.00 C ATOM 0 H PHE A 495 -2.379 -2.036 0.682 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.273 0.789 -0.119 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.649 -0.537 2.248 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.660 1.182 1.907 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.229 1.430 -0.885 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -5.749 -1.425 1.887 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.237 1.165 -2.268 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -7.768 -1.689 0.512 1.00 15.00 H new ATOM 0 HZ PHE A 495 -8.016 -0.395 -1.573 1.00 15.00 H new ATOM 297 N ILE A 496 -0.336 1.310 1.391 1.00 15.00 N ATOM 298 CA ILE A 496 0.719 1.701 2.312 1.00 15.00 C ATOM 299 C ILE A 496 0.286 2.899 3.125 1.00 15.00 C ATOM 300 O ILE A 496 -0.078 3.936 2.576 1.00 15.00 O ATOM 301 CB ILE A 496 2.050 2.039 1.600 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.471 0.908 0.656 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.145 2.310 2.629 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.871 1.059 0.099 1.00 15.00 C ATOM 0 H ILE A 496 -0.384 1.867 0.538 1.00 15.00 H new ATOM 0 HA ILE A 496 0.895 0.840 2.957 1.00 15.00 H new ATOM 0 HB ILE A 496 1.898 2.938 1.002 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.404 -0.040 1.189 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.765 0.859 -0.173 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.077 2.547 2.115 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.853 3.151 3.258 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.288 1.426 3.250 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.093 0.219 -0.559 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.940 1.990 -0.464 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.589 1.077 0.919 1.00 15.00 H new ATOM 316 N ASP A 497 0.289 2.754 4.434 1.00 15.00 N ATOM 317 CA ASP A 497 0.108 3.907 5.280 1.00 15.00 C ATOM 318 C ASP A 497 1.480 4.477 5.583 1.00 15.00 C ATOM 319 O ASP A 497 2.377 3.790 6.082 1.00 15.00 O ATOM 320 CB ASP A 497 -0.659 3.586 6.562 1.00 15.00 C ATOM 321 CG ASP A 497 0.188 2.913 7.610 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.335 1.680 7.558 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.721 3.626 8.487 1.00 15.00 O1- ATOM 0 H ASP A 497 0.412 1.868 4.924 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.504 4.641 4.757 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.068 4.509 6.973 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.505 2.942 6.320 1.00 15.00 H new ATOM 328 N HIS A 498 1.647 5.726 5.238 1.00 15.00 N ATOM 329 CA HIS A 498 2.937 6.372 5.306 1.00 15.00 C ATOM 330 C HIS A 498 3.300 6.771 6.732 1.00 15.00 C ATOM 331 O HIS A 498 4.429 7.188 6.991 1.00 15.00 O ATOM 332 CB HIS A 498 2.958 7.595 4.389 1.00 15.00 C ATOM 333 CG HIS A 498 3.147 7.281 2.931 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.367 7.424 2.299 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.273 6.881 1.958 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.233 7.136 1.019 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.991 6.816 0.797 1.00 15.00 N ATOM 0 H HIS A 498 0.895 6.327 4.902 1.00 15.00 H new ATOM 0 HA HIS A 498 3.686 5.655 4.969 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.022 8.141 4.511 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.759 8.260 4.711 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.223 6.660 2.083 1.00 15.00 H new ATOM 0 HE1 HIS A 498 5.020 7.161 0.280 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.609 6.555 -0.112 1.00 15.00 H new ATOM 346 N ASN A 499 2.349 6.677 7.656 1.00 15.00 N ATOM 347 CA ASN A 499 2.625 7.064 9.033 1.00 15.00 C ATOM 348 C ASN A 499 3.365 5.966 9.801 1.00 15.00 C ATOM 349 O ASN A 499 4.380 6.244 10.437 1.00 15.00 O ATOM 350 CB ASN A 499 1.343 7.497 9.770 1.00 15.00 C ATOM 351 CG ASN A 499 0.223 6.480 9.701 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.088 5.625 10.573 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.604 6.577 8.670 1.00 15.00 N ATOM 0 H ASN A 499 1.401 6.344 7.482 1.00 15.00 H new ATOM 0 HA ASN A 499 3.288 7.928 8.990 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.584 7.688 10.816 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.993 8.438 9.347 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.386 5.928 8.580 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.459 7.301 7.966 1.00 15.00 H new ATOM 360 N THR A 500 2.868 4.728 9.763 1.00 15.00 N ATOM 361 CA THR A 500 3.605 3.609 10.347 1.00 15.00 C ATOM 362 C THR A 500 4.683 3.112 9.386 1.00 15.00 C ATOM 363 O THR A 500 5.672 2.505 9.813 1.00 15.00 O ATOM 364 CB THR A 500 2.695 2.432 10.757 1.00 15.00 C ATOM 365 OG1 THR A 500 2.158 1.788 9.605 1.00 15.00 O ATOM 366 CG2 THR A 500 1.562 2.909 11.654 1.00 15.00 C ATOM 0 H THR A 500 1.973 4.479 9.341 1.00 15.00 H new ATOM 0 HA THR A 500 4.067 3.993 11.256 1.00 15.00 H new ATOM 0 HB THR A 500 3.303 1.718 11.312 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.912 2.463 8.938 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.935 2.061 11.929 1.00 15.00 H new ATOM 0 HG22 THR A 500 1.977 3.361 12.555 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.962 3.647 11.121 1.00 15.00 H new ATOM 374 N LYS A 501 4.461 3.368 8.087 1.00 15.00 N ATOM 375 CA LYS A 501 5.349 2.919 7.006 1.00 15.00 C ATOM 376 C LYS A 501 5.180 1.427 6.744 1.00 15.00 C ATOM 377 O LYS A 501 6.154 0.716 6.483 1.00 15.00 O ATOM 378 CB LYS A 501 6.820 3.214 7.319 1.00 15.00 C ATOM 379 CG LYS A 501 7.177 4.687 7.343 1.00 15.00 C ATOM 380 CD LYS A 501 8.636 4.873 7.716 1.00 15.00 C ATOM 381 CE LYS A 501 9.059 6.325 7.629 1.00 15.00 C ATOM 382 NZ LYS A 501 10.472 6.507 8.054 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.654 3.897 7.756 1.00 15.00 H new ATOM 0 HA LYS A 501 5.065 3.477 6.114 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.066 2.778 8.287 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.443 2.715 6.577 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.986 5.130 6.365 1.00 15.00 H new ATOM 0 HG3 LYS A 501 6.543 5.210 8.059 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.802 4.506 8.729 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.260 4.273 7.054 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.937 6.680 6.606 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.408 6.933 8.257 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.729 7.512 7.982 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.582 6.191 9.039 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.095 5.946 7.439 1.00 15.00 H new ATOM 396 N THR A 502 3.945 0.954 6.774 1.00 15.00 N ATOM 397 CA THR A 502 3.691 -0.464 6.554 1.00 15.00 C ATOM 398 C THR A 502 2.816 -0.689 5.327 1.00 15.00 C ATOM 399 O THR A 502 1.828 0.017 5.108 1.00 15.00 O ATOM 400 CB THR A 502 3.059 -1.158 7.785 1.00 15.00 C ATOM 401 OG1 THR A 502 1.793 -0.578 8.116 1.00 15.00 O ATOM 402 CG2 THR A 502 3.982 -1.072 8.991 1.00 15.00 C ATOM 0 H THR A 502 3.113 1.519 6.945 1.00 15.00 H new ATOM 0 HA THR A 502 4.667 -0.919 6.384 1.00 15.00 H new ATOM 0 HB THR A 502 2.909 -2.205 7.522 1.00 15.00 H new ATOM 0 HG1 THR A 502 1.935 0.259 8.606 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.515 -1.567 9.843 1.00 15.00 H new ATOM 0 HG22 THR A 502 4.928 -1.562 8.761 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.165 -0.026 9.235 1.00 15.00 H new ATOM 410 N THR A 503 3.205 -1.663 4.522 1.00 15.00 N ATOM 411 CA THR A 503 2.475 -2.006 3.316 1.00 15.00 C ATOM 412 C THR A 503 1.416 -3.066 3.621 1.00 15.00 C ATOM 413 O THR A 503 1.711 -4.257 3.633 1.00 15.00 O ATOM 414 CB THR A 503 3.445 -2.546 2.246 1.00 15.00 C ATOM 415 OG1 THR A 503 4.651 -1.772 2.249 1.00 15.00 O ATOM 416 CG2 THR A 503 2.825 -2.494 0.862 1.00 15.00 C ATOM 0 H THR A 503 4.033 -2.236 4.686 1.00 15.00 H new ATOM 0 HA THR A 503 1.985 -1.107 2.941 1.00 15.00 H new ATOM 0 HB THR A 503 3.665 -3.585 2.489 1.00 15.00 H new ATOM 0 HG1 THR A 503 5.265 -2.120 1.569 1.00 15.00 H new ATOM 0 HG21 THR A 503 3.534 -2.882 0.131 1.00 15.00 H new ATOM 0 HG22 THR A 503 1.919 -3.100 0.846 1.00 15.00 H new ATOM 0 HG23 THR A 503 2.575 -1.462 0.614 1.00 15.00 H new ATOM 424 N THR A 504 0.193 -2.634 3.893 1.00 15.00 N ATOM 425 CA THR A 504 -0.875 -3.565 4.221 1.00 15.00 C ATOM 426 C THR A 504 -1.594 -3.988 2.937 1.00 15.00 C ATOM 427 O THR A 504 -1.638 -3.237 1.967 1.00 15.00 O ATOM 428 CB THR A 504 -1.868 -2.955 5.248 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.428 -3.989 6.076 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.994 -2.191 4.563 1.00 15.00 C ATOM 0 H THR A 504 -0.082 -1.652 3.893 1.00 15.00 H new ATOM 0 HA THR A 504 -0.439 -4.447 4.691 1.00 15.00 H new ATOM 0 HB THR A 504 -1.305 -2.253 5.863 1.00 15.00 H new ATOM 0 HG1 THR A 504 -2.831 -4.679 5.509 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.666 -1.780 5.317 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.574 -1.379 3.970 1.00 15.00 H new ATOM 0 HG23 THR A 504 -3.549 -2.867 3.912 1.00 15.00 H new ATOM 438 N TRP A 505 -2.129 -5.196 2.916 1.00 15.00 N ATOM 439 CA TRP A 505 -2.711 -5.736 1.693 1.00 15.00 C ATOM 440 C TRP A 505 -4.221 -5.869 1.799 1.00 15.00 C ATOM 441 O TRP A 505 -4.902 -6.160 0.816 1.00 15.00 O ATOM 442 CB TRP A 505 -2.075 -7.084 1.367 1.00 15.00 C ATOM 443 CG TRP A 505 -0.645 -6.958 0.947 1.00 15.00 C ATOM 444 CD1 TRP A 505 0.464 -7.015 1.738 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.178 -6.740 -0.380 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.597 -6.845 0.975 1.00 15.00 N ATOM 447 CE2 TRP A 505 1.226 -6.675 -0.331 1.00 15.00 C ATOM 448 CE3 TRP A 505 -0.818 -6.595 -1.604 1.00 15.00 C ATOM 449 CZ2 TRP A 505 2.000 -6.469 -1.473 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.057 -6.393 -2.729 1.00 15.00 C ATOM 451 CH2 TRP A 505 1.338 -6.332 -2.664 1.00 15.00 C ATOM 0 H TRP A 505 -2.174 -5.819 3.722 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.504 -5.036 0.883 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.137 -7.732 2.241 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -2.643 -7.567 0.571 1.00 15.00 H new ATOM 0 HD1 TRP A 505 0.455 -7.171 2.807 1.00 15.00 H new ATOM 0 HE1 TRP A 505 2.555 -6.846 1.325 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -1.895 -6.640 -1.670 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 3.078 -6.420 -1.420 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.547 -6.279 -3.685 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.904 -6.174 -3.570 1.00 15.00 H new ATOM 462 N GLU A 506 -4.733 -5.665 2.993 1.00 15.00 N ATOM 463 CA GLU A 506 -6.161 -5.723 3.235 1.00 15.00 C ATOM 464 C GLU A 506 -6.686 -4.356 3.587 1.00 15.00 C ATOM 465 O GLU A 506 -6.054 -3.602 4.329 1.00 15.00 O ATOM 466 CB GLU A 506 -6.490 -6.735 4.343 1.00 15.00 C ATOM 467 CG GLU A 506 -5.755 -6.491 5.659 1.00 15.00 C ATOM 468 CD GLU A 506 -4.333 -7.028 5.669 1.00 15.00 C ATOM 469 OE1 GLU A 506 -3.413 -6.328 5.188 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -4.124 -8.150 6.179 1.00 15.00 O ATOM 0 H GLU A 506 -4.176 -5.455 3.821 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.651 -6.058 2.321 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -7.563 -6.713 4.531 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.249 -7.737 3.987 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -5.732 -5.420 5.860 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -6.316 -6.955 6.470 1.00 15.00 H new ATOM 477 N ASP A 507 -7.848 -4.049 3.034 1.00 15.00 N ATOM 478 CA ASP A 507 -8.457 -2.754 3.221 1.00 15.00 C ATOM 479 C ASP A 507 -8.681 -2.494 4.706 1.00 15.00 C ATOM 480 O ASP A 507 -9.240 -3.339 5.407 1.00 15.00 O ATOM 481 CB ASP A 507 -9.799 -2.657 2.488 1.00 15.00 C ATOM 482 CG ASP A 507 -9.731 -3.065 1.034 1.00 15.00 C ATOM 483 OD1 ASP A 507 -9.571 -4.272 0.762 1.00 15.00 O ATOM 484 OD2 ASP A 507 -9.882 -2.188 0.160 1.00 15.00 O1- ATOM 0 H ASP A 507 -8.387 -4.688 2.449 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.780 -2.006 2.808 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -10.528 -3.287 2.999 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -10.164 -1.632 2.551 1.00 15.00 H new ATOM 489 N PRO A 508 -8.271 -1.318 5.202 1.00 15.00 N ATOM 490 CA PRO A 508 -8.369 -0.982 6.630 1.00 15.00 C ATOM 491 C PRO A 508 -9.810 -0.843 7.120 1.00 15.00 C ATOM 492 O PRO A 508 -10.056 -0.721 8.319 1.00 15.00 O ATOM 493 CB PRO A 508 -7.642 0.360 6.733 1.00 15.00 C ATOM 494 CG PRO A 508 -7.727 0.943 5.364 1.00 15.00 C ATOM 495 CD PRO A 508 -7.679 -0.222 4.416 1.00 15.00 C ATOM 0 HA PRO A 508 -7.942 -1.770 7.251 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -8.113 1.010 7.470 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -6.606 0.226 7.043 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -8.649 1.511 5.238 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.901 1.630 5.180 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -8.247 -0.025 3.507 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.658 -0.451 4.110 1.00 15.00 H new ATOM 503 N ARG A 509 -10.754 -0.849 6.189 1.00 15.00 N ATOM 504 CA ARG A 509 -12.162 -0.731 6.526 1.00 15.00 C ATOM 505 C ARG A 509 -12.995 -1.430 5.455 1.00 15.00 C ATOM 506 O ARG A 509 -13.158 -2.662 5.541 1.00 15.00 O ATOM 507 CB ARG A 509 -12.552 0.751 6.642 1.00 15.00 C ATOM 508 CG ARG A 509 -13.690 1.040 7.617 1.00 15.00 C ATOM 509 CD ARG A 509 -15.013 0.450 7.156 1.00 15.00 C ATOM 510 NE ARG A 509 -16.126 0.860 8.010 1.00 15.00 N ATOM 511 CZ ARG A 509 -17.409 0.663 7.705 1.00 15.00 C ATOM 512 NH1 ARG A 509 -17.738 0.003 6.603 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -18.359 1.117 8.512 1.00 15.00 N ATOM 0 H ARG A 509 -10.567 -0.935 5.190 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.352 -1.207 7.488 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -11.675 1.320 6.951 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -12.837 1.115 5.655 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -13.437 0.635 8.597 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -13.798 2.118 7.736 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -15.210 0.761 6.130 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -14.942 -0.638 7.151 1.00 15.00 H new ATOM 0 HE ARG A 509 -15.908 1.324 8.892 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -17.009 -0.355 5.986 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -18.720 -0.146 6.372 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -18.108 1.616 9.365 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -19.341 0.967 8.279 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -1.689 -16.831 2.304 1.00 15.00 N ATOM 529 CA ARG B 925 -1.333 -15.399 2.385 1.00 15.00 C ATOM 530 C ARG B 925 -0.315 -15.053 1.312 1.00 15.00 C ATOM 531 O ARG B 925 0.667 -15.771 1.120 1.00 15.00 O ATOM 532 CB ARG B 925 -0.742 -15.074 3.758 1.00 15.00 C ATOM 533 CG ARG B 925 -0.534 -13.587 3.989 1.00 15.00 C ATOM 534 CD ARG B 925 0.366 -13.326 5.183 1.00 15.00 C ATOM 535 NE ARG B 925 1.757 -13.690 4.909 1.00 15.00 N ATOM 536 CZ ARG B 925 2.656 -13.957 5.856 1.00 15.00 C ATOM 537 NH1 ARG B 925 2.290 -14.002 7.131 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 3.916 -14.209 5.523 1.00 15.00 N ATOM 0 HA ARG B 925 -2.239 -14.812 2.234 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -1.403 -15.465 4.532 1.00 15.00 H new ATOM 0 HB3 ARG B 925 0.213 -15.588 3.865 1.00 15.00 H new ATOM 0 HG2 ARG B 925 -0.096 -13.138 3.098 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -1.499 -13.105 4.148 1.00 15.00 H new ATOM 0 HD2 ARG B 925 0.313 -12.271 5.453 1.00 15.00 H new ATOM 0 HD3 ARG B 925 0.005 -13.893 6.041 1.00 15.00 H new ATOM 0 HE ARG B 925 2.056 -13.742 3.935 1.00 15.00 H new ATOM 0 HH11 ARG B 925 1.318 -13.832 7.389 1.00 15.00 H new ATOM 0 HH12 ARG B 925 2.981 -14.207 7.853 1.00 15.00 H new ATOM 0 HH21 ARG B 925 4.196 -14.198 4.542 1.00 15.00 H new ATOM 0 HH22 ARG B 925 4.604 -14.413 6.248 1.00 15.00 H new ATOM 554 N LEU B 926 -0.549 -13.946 0.623 1.00 15.00 N ATOM 555 CA LEU B 926 0.395 -13.449 -0.365 1.00 15.00 C ATOM 556 C LEU B 926 1.703 -13.039 0.309 1.00 15.00 C ATOM 557 O LEU B 926 1.725 -12.726 1.504 1.00 15.00 O ATOM 558 CB LEU B 926 -0.225 -12.278 -1.145 1.00 15.00 C ATOM 559 CG LEU B 926 -0.957 -11.218 -0.308 1.00 15.00 C ATOM 560 CD1 LEU B 926 0.022 -10.344 0.458 1.00 15.00 C ATOM 561 CD2 LEU B 926 -1.844 -10.363 -1.199 1.00 15.00 C ATOM 0 H LEU B 926 -1.387 -13.374 0.731 1.00 15.00 H new ATOM 0 HA LEU B 926 0.622 -14.245 -1.074 1.00 15.00 H new ATOM 0 HB2 LEU B 926 0.567 -11.784 -1.708 1.00 15.00 H new ATOM 0 HB3 LEU B 926 -0.927 -12.685 -1.873 1.00 15.00 H new ATOM 0 HG LEU B 926 -1.581 -11.737 0.420 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -0.528 -9.605 1.040 1.00 15.00 H new ATOM 0 HD12 LEU B 926 0.616 -10.965 1.129 1.00 15.00 H new ATOM 0 HD13 LEU B 926 0.682 -9.835 -0.244 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -2.357 -9.616 -0.593 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -1.232 -9.863 -1.950 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -2.580 -10.996 -1.694 1.00 15.00 H new ATOM 573 N ASP B 927 2.786 -13.041 -0.450 1.00 15.00 N ATOM 574 CA ASP B 927 4.091 -12.695 0.092 1.00 15.00 C ATOM 575 C ASP B 927 4.284 -11.182 0.104 1.00 15.00 C ATOM 576 O ASP B 927 4.128 -10.516 -0.921 1.00 15.00 O ATOM 577 CB ASP B 927 5.200 -13.364 -0.717 1.00 15.00 C ATOM 578 CG ASP B 927 6.555 -13.214 -0.059 1.00 15.00 C ATOM 579 OD1 ASP B 927 6.643 -13.394 1.176 1.00 15.00 O1- ATOM 580 OD2 ASP B 927 7.539 -12.922 -0.771 1.00 15.00 O ATOM 0 H ASP B 927 2.788 -13.278 -1.442 1.00 15.00 H new ATOM 0 HA ASP B 927 4.142 -13.058 1.119 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.972 -14.423 -0.838 1.00 15.00 H new ATOM 0 HB3 ASP B 927 5.232 -12.929 -1.716 1.00 15.00 H new ATOM 585 N LEU B 928 4.635 -10.653 1.268 1.00 15.00 N ATOM 586 CA LEU B 928 4.775 -9.216 1.451 1.00 15.00 C ATOM 587 C LEU B 928 6.226 -8.779 1.284 1.00 15.00 C ATOM 588 O LEU B 928 7.122 -9.304 1.943 1.00 15.00 O ATOM 589 CB LEU B 928 4.250 -8.814 2.838 1.00 15.00 C ATOM 590 CG LEU B 928 4.426 -7.334 3.210 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.243 -6.853 4.029 1.00 15.00 C ATOM 592 CD2 LEU B 928 5.713 -7.119 3.995 1.00 15.00 C ATOM 0 H LEU B 928 4.829 -11.203 2.105 1.00 15.00 H new ATOM 0 HA LEU B 928 4.185 -8.712 0.685 1.00 15.00 H new ATOM 0 HB2 LEU B 928 3.189 -9.060 2.891 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.756 -9.422 3.588 1.00 15.00 H new ATOM 0 HG LEU B 928 4.482 -6.760 2.285 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.381 -5.803 4.286 1.00 15.00 H new ATOM 0 HD12 LEU B 928 2.328 -6.967 3.448 1.00 15.00 H new ATOM 0 HD13 LEU B 928 3.169 -7.443 4.943 1.00 15.00 H new ATOM 0 HD21 LEU B 928 5.814 -6.063 4.246 1.00 15.00 H new ATOM 0 HD22 LEU B 928 5.683 -7.709 4.911 1.00 15.00 H new ATOM 0 HD23 LEU B 928 6.564 -7.431 3.390 1.00 15.00 H new ATOM 604 N PRO B 929 6.472 -7.811 0.395 1.00 15.00 N ATOM 605 CA PRO B 929 7.782 -7.205 0.229 1.00 15.00 C ATOM 606 C PRO B 929 7.979 -6.010 1.164 1.00 15.00 C ATOM 607 O PRO B 929 7.065 -5.203 1.346 1.00 15.00 O ATOM 608 CB PRO B 929 7.757 -6.753 -1.231 1.00 15.00 C ATOM 609 CG PRO B 929 6.320 -6.459 -1.528 1.00 15.00 C ATOM 610 CD PRO B 929 5.486 -7.240 -0.539 1.00 15.00 C ATOM 0 HA PRO B 929 8.598 -7.887 0.467 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.378 -5.870 -1.380 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.144 -7.530 -1.890 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.120 -5.391 -1.440 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.073 -6.746 -2.550 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.775 -6.596 -0.022 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.908 -8.020 -1.034 1.00 15.00 H new ATOM 618 N PRO B 930 9.171 -5.890 1.779 1.00 15.00 N ATOM 619 CA PRO B 930 9.515 -4.737 2.626 1.00 15.00 C ATOM 620 C PRO B 930 9.313 -3.426 1.874 1.00 15.00 C ATOM 621 O PRO B 930 9.744 -3.304 0.728 1.00 15.00 O ATOM 622 CB PRO B 930 10.999 -4.954 2.937 1.00 15.00 C ATOM 623 CG PRO B 930 11.206 -6.421 2.788 1.00 15.00 C ATOM 624 CD PRO B 930 10.276 -6.861 1.693 1.00 15.00 C ATOM 0 HA PRO B 930 8.893 -4.669 3.519 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.634 -4.393 2.251 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.245 -4.620 3.945 1.00 15.00 H new ATOM 0 HG2 PRO B 930 12.242 -6.645 2.534 1.00 15.00 H new ATOM 0 HG3 PRO B 930 10.987 -6.943 3.720 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.761 -6.833 0.717 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.927 -7.882 1.847 1.00 15.00 H new ATOM 632 N TYR B 931 8.665 -2.458 2.518 1.00 15.00 N ATOM 633 CA TYR B 931 8.263 -1.227 1.842 1.00 15.00 C ATOM 634 C TYR B 931 9.462 -0.533 1.191 1.00 15.00 C ATOM 635 O TYR B 931 10.422 -0.140 1.861 1.00 15.00 O ATOM 636 CB TYR B 931 7.579 -0.323 2.896 1.00 15.00 C ATOM 637 CG TYR B 931 7.369 1.147 2.542 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.063 1.568 1.252 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.464 2.120 3.536 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.865 2.910 0.966 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.264 3.455 3.258 1.00 15.00 C ATOM 642 CZ TYR B 931 6.967 3.848 1.975 1.00 15.00 C ATOM 643 OH TYR B 931 6.777 5.184 1.697 1.00 15.00 O ATOM 0 H TYR B 931 8.408 -2.502 3.504 1.00 15.00 H new ATOM 0 HA TYR B 931 7.568 -1.447 1.032 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.605 -0.755 3.127 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.171 -0.366 3.810 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.978 0.838 0.461 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.700 1.821 4.547 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.632 3.221 -0.042 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.340 4.190 4.046 1.00 15.00 H new ATOM 0 HH TYR B 931 6.883 5.707 2.519 1.00 15.00 H new ATOM 653 N GLU B 932 9.387 -0.399 -0.129 1.00 15.00 N ATOM 654 CA GLU B 932 10.309 0.420 -0.895 1.00 15.00 C ATOM 655 C GLU B 932 9.557 1.639 -1.396 1.00 15.00 C ATOM 656 O GLU B 932 8.365 1.546 -1.684 1.00 15.00 O ATOM 657 CB GLU B 932 10.923 -0.360 -2.068 1.00 15.00 C ATOM 658 CG GLU B 932 9.930 -0.808 -3.132 1.00 15.00 C ATOM 659 CD GLU B 932 9.192 -2.078 -2.767 1.00 15.00 C ATOM 660 OE1 GLU B 932 9.731 -3.175 -3.031 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 8.069 -1.988 -2.236 1.00 15.00 O ATOM 0 H GLU B 932 8.678 -0.861 -0.698 1.00 15.00 H new ATOM 0 HA GLU B 932 11.137 0.724 -0.254 1.00 15.00 H new ATOM 0 HB2 GLU B 932 11.683 0.262 -2.541 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.432 -1.240 -1.673 1.00 15.00 H new ATOM 0 HG2 GLU B 932 9.206 -0.011 -3.301 1.00 15.00 H new ATOM 0 HG3 GLU B 932 10.460 -0.962 -4.072 1.00 15.00 H new ATOM 668 N THR B 933 10.217 2.770 -1.535 1.00 15.00 N ATOM 669 CA THR B 933 9.498 3.945 -1.969 1.00 15.00 C ATOM 670 C THR B 933 9.400 4.014 -3.489 1.00 15.00 C ATOM 671 O THR B 933 10.399 4.038 -4.214 1.00 15.00 O ATOM 672 CB THR B 933 10.106 5.244 -1.428 1.00 15.00 C ATOM 673 OG1 THR B 933 10.551 5.041 -0.078 1.00 15.00 O ATOM 674 CG2 THR B 933 9.058 6.354 -1.464 1.00 15.00 C ATOM 0 H THR B 933 11.214 2.899 -1.361 1.00 15.00 H new ATOM 0 HA THR B 933 8.495 3.849 -1.554 1.00 15.00 H new ATOM 0 HB THR B 933 10.955 5.532 -2.047 1.00 15.00 H new ATOM 0 HG1 THR B 933 10.941 5.872 0.266 1.00 15.00 H new ATOM 0 HG21 THR B 933 9.492 7.277 -1.079 1.00 15.00 H new ATOM 0 HG22 THR B 933 8.728 6.509 -2.491 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.205 6.069 -0.848 1.00 15.00 H new ATOM 682 N PHE B 934 8.168 4.012 -3.933 1.00 15.00 N ATOM 683 CA PHE B 934 7.790 4.258 -5.310 1.00 15.00 C ATOM 684 C PHE B 934 7.477 5.756 -5.433 1.00 15.00 C ATOM 685 O PHE B 934 7.654 6.492 -4.458 1.00 15.00 O ATOM 686 CB PHE B 934 6.596 3.379 -5.709 1.00 15.00 C ATOM 687 CG PHE B 934 5.331 3.838 -5.082 1.00 15.00 C ATOM 688 CD1 PHE B 934 4.966 3.424 -3.813 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.539 4.751 -5.744 1.00 15.00 C ATOM 690 CE1 PHE B 934 3.834 3.919 -3.233 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.416 5.262 -5.156 1.00 15.00 C ATOM 692 CZ PHE B 934 3.066 4.845 -3.902 1.00 15.00 C ATOM 0 H PHE B 934 7.368 3.833 -3.326 1.00 15.00 H new ATOM 0 HA PHE B 934 8.597 3.996 -5.994 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.487 3.387 -6.793 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.792 2.347 -5.416 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.577 2.709 -3.282 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.809 5.067 -6.741 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.541 3.584 -2.249 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.811 5.989 -5.677 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.180 5.245 -3.432 1.00 15.00 H new ATOM 702 N GLU B 935 7.073 6.213 -6.619 1.00 15.00 N ATOM 703 CA GLU B 935 6.895 7.646 -6.899 1.00 15.00 C ATOM 704 C GLU B 935 6.089 8.353 -5.797 1.00 15.00 C ATOM 705 O GLU B 935 5.174 7.784 -5.205 1.00 15.00 O ATOM 706 CB GLU B 935 6.160 7.806 -8.238 1.00 15.00 C ATOM 707 CG GLU B 935 4.642 7.629 -8.149 1.00 15.00 C ATOM 708 CD GLU B 935 4.024 7.254 -9.482 1.00 15.00 C ATOM 709 OE1 GLU B 935 4.173 6.089 -9.908 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 3.398 8.123 -10.121 1.00 15.00 O ATOM 0 H GLU B 935 6.860 5.607 -7.411 1.00 15.00 H new ATOM 0 HA GLU B 935 7.883 8.105 -6.938 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.376 8.795 -8.641 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.558 7.079 -8.946 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.412 6.857 -7.415 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.192 8.555 -7.790 1.00 15.00 H new ATOM 717 N ASP B 936 6.447 9.609 -5.551 1.00 15.00 N ATOM 718 CA ASP B 936 5.946 10.369 -4.405 1.00 15.00 C ATOM 719 C ASP B 936 4.424 10.480 -4.379 1.00 15.00 C ATOM 720 O ASP B 936 3.803 10.971 -5.324 1.00 15.00 O ATOM 721 CB ASP B 936 6.561 11.771 -4.394 1.00 15.00 C ATOM 722 CG ASP B 936 6.080 12.605 -3.222 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.464 12.298 -2.073 1.00 15.00 O ATOM 724 OD2 ASP B 936 5.326 13.573 -3.442 1.00 15.00 O1- ATOM 0 H ASP B 936 7.094 10.132 -6.141 1.00 15.00 H new ATOM 0 HA ASP B 936 6.244 9.818 -3.513 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.647 11.688 -4.356 1.00 15.00 H new ATOM 0 HB3 ASP B 936 6.313 12.281 -5.325 1.00 15.00 H new ATOM 729 N LEU B 937 3.841 10.021 -3.275 1.00 15.00 N ATOM 730 CA LEU B 937 2.417 10.187 -3.015 1.00 15.00 C ATOM 731 C LEU B 937 2.129 11.623 -2.579 1.00 15.00 C ATOM 732 O LEU B 937 1.676 12.452 -3.372 1.00 15.00 O ATOM 733 CB LEU B 937 1.953 9.192 -1.936 1.00 15.00 C ATOM 734 CG LEU B 937 0.552 9.438 -1.365 1.00 15.00 C ATOM 735 CD1 LEU B 937 -0.501 9.389 -2.462 1.00 15.00 C ATOM 736 CD2 LEU B 937 0.229 8.434 -0.274 1.00 15.00 C ATOM 0 H LEU B 937 4.342 9.525 -2.538 1.00 15.00 H new ATOM 0 HA LEU B 937 1.864 9.983 -3.932 1.00 15.00 H new ATOM 0 HB2 LEU B 937 1.982 8.187 -2.357 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.669 9.214 -1.115 1.00 15.00 H new ATOM 0 HG LEU B 937 0.541 10.436 -0.927 1.00 15.00 H new ATOM 0 HD11 LEU B 937 -1.486 9.567 -2.029 1.00 15.00 H new ATOM 0 HD12 LEU B 937 -0.288 10.157 -3.206 1.00 15.00 H new ATOM 0 HD13 LEU B 937 -0.485 8.408 -2.938 1.00 15.00 H new ATOM 0 HD21 LEU B 937 -0.770 8.629 0.116 1.00 15.00 H new ATOM 0 HD22 LEU B 937 0.268 7.425 -0.685 1.00 15.00 H new ATOM 0 HD23 LEU B 937 0.957 8.526 0.532 1.00 15.00 H new HETATM 748 N NH2 B 938 2.407 11.921 -1.318 1.00 15.00 N TER 751 NH2 B 938