USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 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 500 THR OG1 : rot -59:sc= 1.96 USER MOD Set 1.2: A 502 THR OG1 : rot -29:sc= 0.813 USER MOD Single : A 485 MET CE :methyl -112:sc= -2.71 (180deg=-7.47!) USER MOD Single : A 490 ASN : amide:sc= -3.8! C(o=-3.8!,f=-8.8!) USER MOD Single : A 498 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Single : A 499 ASN : amide:sc= 1.16 K(o=1.2,f=-0.45) USER MOD Single : A 501 LYS NZ :NH3+ 167:sc= -2! (180deg=-2.86!) USER MOD Single : A 503 THR OG1 : rot 160:sc= -0.0338 USER MOD Single : A 504 THR OG1 : rot -117:sc= 0.687 USER MOD Single : B 931 TYR OH : rot 180:sc= 0 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -11.484 9.008 -2.229 1.00 15.00 N ATOM 2 CA PHE A 478 -11.711 7.628 -1.737 1.00 15.00 C ATOM 3 C PHE A 478 -10.558 7.157 -0.859 1.00 15.00 C ATOM 4 O PHE A 478 -10.704 6.216 -0.077 1.00 15.00 O ATOM 5 CB PHE A 478 -11.901 6.649 -2.909 1.00 15.00 C ATOM 6 CG PHE A 478 -10.745 6.595 -3.880 1.00 15.00 C ATOM 7 CD1 PHE A 478 -9.694 5.709 -3.685 1.00 15.00 C ATOM 8 CD2 PHE A 478 -10.714 7.426 -4.989 1.00 15.00 C ATOM 9 CE1 PHE A 478 -8.638 5.657 -4.577 1.00 15.00 C ATOM 10 CE2 PHE A 478 -9.661 7.377 -5.883 1.00 15.00 C ATOM 11 CZ PHE A 478 -8.622 6.492 -5.677 1.00 15.00 C ATOM 0 HA PHE A 478 -12.621 7.645 -1.138 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -12.067 5.650 -2.507 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -12.803 6.927 -3.454 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -9.701 5.053 -2.827 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -11.523 8.121 -5.157 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -7.826 4.964 -4.413 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -9.651 8.031 -6.742 1.00 15.00 H new ATOM 0 HZ PHE A 478 -7.798 6.453 -6.374 1.00 15.00 H new ATOM 21 N LEU A 479 -9.409 7.799 -0.996 1.00 15.00 N ATOM 22 CA LEU A 479 -8.210 7.361 -0.306 1.00 15.00 C ATOM 23 C LEU A 479 -7.821 8.367 0.771 1.00 15.00 C ATOM 24 O LEU A 479 -7.577 9.538 0.474 1.00 15.00 O ATOM 25 CB LEU A 479 -7.076 7.199 -1.318 1.00 15.00 C ATOM 26 CG LEU A 479 -5.997 6.175 -0.961 1.00 15.00 C ATOM 27 CD1 LEU A 479 -6.588 4.773 -0.916 1.00 15.00 C ATOM 28 CD2 LEU A 479 -4.877 6.235 -1.982 1.00 15.00 C ATOM 0 H LEU A 479 -9.283 8.626 -1.580 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.401 6.403 0.177 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.510 6.920 -2.278 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.597 8.169 -1.455 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.598 6.413 0.025 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.807 4.057 -0.661 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.376 4.734 -0.164 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.005 4.522 -1.891 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.110 5.504 -1.724 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.275 6.010 -2.972 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.440 7.234 -1.985 1.00 15.00 H new ATOM 40 N PRO A 480 -7.787 7.925 2.035 1.00 15.00 N ATOM 41 CA PRO A 480 -7.394 8.766 3.174 1.00 15.00 C ATOM 42 C PRO A 480 -6.032 9.437 2.970 1.00 15.00 C ATOM 43 O PRO A 480 -5.154 8.876 2.315 1.00 15.00 O ATOM 44 CB PRO A 480 -7.332 7.757 4.318 1.00 15.00 C ATOM 45 CG PRO A 480 -8.324 6.722 3.944 1.00 15.00 C ATOM 46 CD PRO A 480 -8.147 6.560 2.466 1.00 15.00 C ATOM 0 HA PRO A 480 -8.083 9.594 3.339 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -6.333 7.333 4.421 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.581 8.221 5.272 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -8.141 5.786 4.472 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -9.338 7.035 4.192 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.364 5.840 2.228 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.060 6.210 1.984 1.00 15.00 H new ATOM 54 N PRO A 481 -5.850 10.633 3.571 1.00 15.00 N ATOM 55 CA PRO A 481 -4.667 11.490 3.413 1.00 15.00 C ATOM 56 C PRO A 481 -3.346 10.743 3.184 1.00 15.00 C ATOM 57 O PRO A 481 -2.797 10.779 2.083 1.00 15.00 O ATOM 58 CB PRO A 481 -4.617 12.262 4.741 1.00 15.00 C ATOM 59 CG PRO A 481 -5.934 12.034 5.424 1.00 15.00 C ATOM 60 CD PRO A 481 -6.811 11.266 4.473 1.00 15.00 C ATOM 0 HA PRO A 481 -4.763 12.107 2.519 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.793 11.910 5.362 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.452 13.325 4.565 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.794 11.477 6.351 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.397 12.984 5.690 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -7.421 10.528 4.994 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.495 11.923 3.936 1.00 15.00 H new ATOM 68 N GLY A 482 -2.847 10.054 4.208 1.00 15.00 N ATOM 69 CA GLY A 482 -1.540 9.426 4.100 1.00 15.00 C ATOM 70 C GLY A 482 -1.606 7.997 3.625 1.00 15.00 C ATOM 71 O GLY A 482 -0.606 7.283 3.665 1.00 15.00 O ATOM 0 H GLY A 482 -3.319 9.920 5.102 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.923 10.003 3.412 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.048 9.457 5.072 1.00 15.00 H new ATOM 75 N TRP A 483 -2.769 7.570 3.177 1.00 15.00 N ATOM 76 CA TRP A 483 -2.909 6.241 2.621 1.00 15.00 C ATOM 77 C TRP A 483 -2.648 6.294 1.135 1.00 15.00 C ATOM 78 O TRP A 483 -3.316 7.017 0.405 1.00 15.00 O ATOM 79 CB TRP A 483 -4.297 5.662 2.897 1.00 15.00 C ATOM 80 CG TRP A 483 -4.507 5.311 4.334 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.711 6.182 5.356 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.528 4.000 4.907 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.863 5.498 6.537 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.754 4.154 6.287 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.381 2.711 4.390 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.839 3.065 7.153 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.462 1.635 5.249 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.691 1.818 6.618 1.00 15.00 C ATOM 0 H TRP A 483 -3.627 8.122 3.187 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.181 5.586 3.100 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -5.054 6.384 2.591 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.441 4.771 2.286 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.748 7.257 5.255 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -5.030 5.920 7.450 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.207 2.559 3.335 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -5.016 3.203 8.209 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -4.347 0.634 4.859 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.752 0.955 7.264 1.00 15.00 H new ATOM 99 N GLU A 484 -1.646 5.558 0.710 1.00 15.00 N ATOM 100 CA GLU A 484 -1.290 5.480 -0.686 1.00 15.00 C ATOM 101 C GLU A 484 -1.755 4.146 -1.244 1.00 15.00 C ATOM 102 O GLU A 484 -1.643 3.124 -0.583 1.00 15.00 O ATOM 103 CB GLU A 484 0.220 5.612 -0.838 1.00 15.00 C ATOM 104 CG GLU A 484 0.647 6.679 -1.826 1.00 15.00 C ATOM 105 CD GLU A 484 0.177 8.062 -1.434 1.00 15.00 C ATOM 106 OE1 GLU A 484 0.824 8.684 -0.571 1.00 15.00 O ATOM 107 OE2 GLU A 484 -0.829 8.536 -2.006 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.056 4.997 1.324 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.771 6.289 -1.235 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.655 5.837 0.136 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.629 4.653 -1.155 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.734 6.679 -1.907 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.254 6.433 -2.812 1.00 15.00 H new ATOM 114 N MET A 485 -2.255 4.146 -2.457 1.00 15.00 N ATOM 115 CA MET A 485 -2.733 2.916 -3.072 1.00 15.00 C ATOM 116 C MET A 485 -1.974 2.671 -4.371 1.00 15.00 C ATOM 117 O MET A 485 -2.162 3.392 -5.349 1.00 15.00 O ATOM 118 CB MET A 485 -4.241 3.000 -3.345 1.00 15.00 C ATOM 119 CG MET A 485 -4.846 1.685 -3.808 1.00 15.00 C ATOM 120 SD MET A 485 -6.468 1.865 -4.583 1.00 15.00 S ATOM 121 CE MET A 485 -7.474 2.377 -3.197 1.00 15.00 C ATOM 0 H MET A 485 -2.344 4.977 -3.041 1.00 15.00 H new ATOM 0 HA MET A 485 -2.557 2.085 -2.389 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.749 3.325 -2.437 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.423 3.762 -4.103 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.166 1.211 -4.516 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.934 1.015 -2.953 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.182 1.586 -2.949 1.00 15.00 H new ATOM 0 HE2 MET A 485 -6.835 2.575 -2.337 1.00 15.00 H new ATOM 0 HE3 MET A 485 -8.020 3.283 -3.459 1.00 15.00 H new ATOM 131 N ARG A 486 -1.085 1.687 -4.360 1.00 15.00 N ATOM 132 CA ARG A 486 -0.267 1.380 -5.531 1.00 15.00 C ATOM 133 C ARG A 486 -0.399 -0.087 -5.893 1.00 15.00 C ATOM 134 O ARG A 486 -0.315 -0.956 -5.028 1.00 15.00 O ATOM 135 CB ARG A 486 1.203 1.707 -5.267 1.00 15.00 C ATOM 136 CG ARG A 486 1.460 3.169 -4.933 1.00 15.00 C ATOM 137 CD ARG A 486 1.173 4.074 -6.123 1.00 15.00 C ATOM 138 NE ARG A 486 2.056 3.794 -7.255 1.00 15.00 N ATOM 139 CZ ARG A 486 1.700 3.919 -8.533 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.486 4.359 -8.855 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.567 3.623 -9.486 1.00 15.00 N ATOM 0 H ARG A 486 -0.910 1.086 -3.554 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.622 1.992 -6.360 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.560 1.088 -4.444 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.788 1.437 -6.146 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.835 3.466 -4.090 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.497 3.295 -4.621 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.136 3.946 -6.433 1.00 15.00 H new ATOM 0 HD3 ARG A 486 1.290 5.115 -5.822 1.00 15.00 H new ATOM 0 HE ARG A 486 3.006 3.483 -7.053 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.179 4.603 -8.121 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.221 4.452 -9.835 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.503 3.301 -9.241 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.300 3.717 -10.466 1.00 15.00 H new ATOM 155 N ILE A 487 -0.571 -0.360 -7.173 1.00 15.00 N ATOM 156 CA ILE A 487 -0.816 -1.718 -7.632 1.00 15.00 C ATOM 157 C ILE A 487 0.407 -2.329 -8.303 1.00 15.00 C ATOM 158 O ILE A 487 1.029 -1.735 -9.187 1.00 15.00 O ATOM 159 CB ILE A 487 -2.049 -1.795 -8.564 1.00 15.00 C ATOM 160 CG1 ILE A 487 -2.216 -3.208 -9.135 1.00 15.00 C ATOM 161 CG2 ILE A 487 -1.957 -0.765 -9.679 1.00 15.00 C ATOM 162 CD1 ILE A 487 -3.463 -3.379 -9.977 1.00 15.00 C ATOM 0 H ILE A 487 -0.546 0.340 -7.915 1.00 15.00 H new ATOM 0 HA ILE A 487 -1.030 -2.309 -6.742 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.933 -1.565 -7.969 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -1.343 -3.452 -9.740 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.243 -3.922 -8.312 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.836 -0.842 -10.319 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -1.908 0.235 -9.248 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.061 -0.949 -10.271 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -3.515 -4.403 -10.347 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -4.344 -3.168 -9.370 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.430 -2.690 -10.821 1.00 15.00 H new ATOM 174 N ALA A 488 0.740 -3.526 -7.845 1.00 15.00 N ATOM 175 CA ALA A 488 1.856 -4.291 -8.372 1.00 15.00 C ATOM 176 C ALA A 488 1.382 -5.175 -9.523 1.00 15.00 C ATOM 177 O ALA A 488 0.224 -5.589 -9.544 1.00 15.00 O ATOM 178 CB ALA A 488 2.487 -5.129 -7.266 1.00 15.00 C ATOM 0 H ALA A 488 0.239 -3.996 -7.091 1.00 15.00 H new ATOM 0 HA ALA A 488 2.613 -3.606 -8.753 1.00 15.00 H new ATOM 0 HB1 ALA A 488 3.323 -5.698 -7.673 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.846 -4.473 -6.473 1.00 15.00 H new ATOM 0 HB3 ALA A 488 1.744 -5.815 -6.860 1.00 15.00 H new ATOM 184 N PRO A 489 2.270 -5.464 -10.495 1.00 15.00 N ATOM 185 CA PRO A 489 1.934 -6.215 -11.725 1.00 15.00 C ATOM 186 C PRO A 489 1.347 -7.613 -11.486 1.00 15.00 C ATOM 187 O PRO A 489 0.988 -8.308 -12.439 1.00 15.00 O ATOM 188 CB PRO A 489 3.278 -6.337 -12.455 1.00 15.00 C ATOM 189 CG PRO A 489 4.312 -6.052 -11.424 1.00 15.00 C ATOM 190 CD PRO A 489 3.687 -5.072 -10.480 1.00 15.00 C ATOM 0 HA PRO A 489 1.154 -5.692 -12.278 1.00 15.00 H new ATOM 0 HB2 PRO A 489 3.407 -7.334 -12.877 1.00 15.00 H new ATOM 0 HB3 PRO A 489 3.342 -5.630 -13.282 1.00 15.00 H new ATOM 0 HG2 PRO A 489 4.607 -6.963 -10.903 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.213 -5.638 -11.877 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.116 -5.143 -9.480 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.826 -4.044 -10.814 1.00 15.00 H new ATOM 198 N ASN A 490 1.264 -8.034 -10.231 1.00 15.00 N ATOM 199 CA ASN A 490 0.654 -9.318 -9.901 1.00 15.00 C ATOM 200 C ASN A 490 -0.814 -9.140 -9.516 1.00 15.00 C ATOM 201 O ASN A 490 -1.498 -10.105 -9.180 1.00 15.00 O ATOM 202 CB ASN A 490 1.423 -10.046 -8.787 1.00 15.00 C ATOM 203 CG ASN A 490 1.782 -9.157 -7.613 1.00 15.00 C ATOM 204 OD1 ASN A 490 1.123 -8.156 -7.342 1.00 15.00 O ATOM 205 ND2 ASN A 490 2.834 -9.525 -6.898 1.00 15.00 N ATOM 0 H ASN A 490 1.609 -7.509 -9.427 1.00 15.00 H new ATOM 0 HA ASN A 490 0.704 -9.940 -10.795 1.00 15.00 H new ATOM 0 HB2 ASN A 490 0.821 -10.881 -8.428 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.337 -10.468 -9.205 1.00 15.00 H new ATOM 0 HD21 ASN A 490 3.122 -8.971 -6.091 1.00 15.00 H new ATOM 0 HD22 ASN A 490 3.357 -10.363 -7.154 1.00 15.00 H new ATOM 212 N GLY A 491 -1.291 -7.900 -9.570 1.00 15.00 N ATOM 213 CA GLY A 491 -2.711 -7.643 -9.402 1.00 15.00 C ATOM 214 C GLY A 491 -3.109 -7.262 -7.990 1.00 15.00 C ATOM 215 O GLY A 491 -4.191 -7.626 -7.528 1.00 15.00 O ATOM 0 H GLY A 491 -0.721 -7.069 -9.727 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -3.007 -6.842 -10.080 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -3.268 -8.532 -9.697 1.00 15.00 H new ATOM 219 N ARG A 492 -2.256 -6.518 -7.303 1.00 15.00 N ATOM 220 CA ARG A 492 -2.558 -6.108 -5.935 1.00 15.00 C ATOM 221 C ARG A 492 -2.227 -4.635 -5.696 1.00 15.00 C ATOM 222 O ARG A 492 -1.093 -4.200 -5.903 1.00 15.00 O ATOM 223 CB ARG A 492 -1.787 -6.966 -4.929 1.00 15.00 C ATOM 224 CG ARG A 492 -0.280 -6.848 -5.050 1.00 15.00 C ATOM 225 CD ARG A 492 0.437 -7.589 -3.939 1.00 15.00 C ATOM 226 NE ARG A 492 1.887 -7.487 -4.076 1.00 15.00 N ATOM 227 CZ ARG A 492 2.739 -8.442 -3.713 1.00 15.00 C ATOM 228 NH1 ARG A 492 2.293 -9.559 -3.158 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 4.042 -8.279 -3.908 1.00 15.00 N ATOM 0 H ARG A 492 -1.360 -6.188 -7.662 1.00 15.00 H new ATOM 0 HA ARG A 492 -3.629 -6.249 -5.792 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -2.084 -6.681 -3.920 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -2.072 -8.010 -5.062 1.00 15.00 H new ATOM 0 HG2 ARG A 492 0.039 -7.244 -6.014 1.00 15.00 H new ATOM 0 HG3 ARG A 492 0.005 -5.796 -5.027 1.00 15.00 H new ATOM 0 HD2 ARG A 492 0.132 -7.183 -2.974 1.00 15.00 H new ATOM 0 HD3 ARG A 492 0.142 -8.638 -3.951 1.00 15.00 H new ATOM 0 HE ARG A 492 2.271 -6.630 -4.475 1.00 15.00 H new ATOM 0 HH11 ARG A 492 1.293 -9.690 -3.007 1.00 15.00 H new ATOM 0 HH12 ARG A 492 2.950 -10.289 -2.881 1.00 15.00 H new ATOM 0 HH21 ARG A 492 4.390 -7.421 -4.336 1.00 15.00 H new ATOM 0 HH22 ARG A 492 4.695 -9.011 -3.629 1.00 15.00 H new ATOM 243 N PRO A 493 -3.216 -3.848 -5.259 1.00 15.00 N ATOM 244 CA PRO A 493 -2.989 -2.508 -4.744 1.00 15.00 C ATOM 245 C PRO A 493 -2.736 -2.531 -3.243 1.00 15.00 C ATOM 246 O PRO A 493 -3.640 -2.805 -2.451 1.00 15.00 O ATOM 247 CB PRO A 493 -4.299 -1.768 -5.059 1.00 15.00 C ATOM 248 CG PRO A 493 -5.250 -2.802 -5.589 1.00 15.00 C ATOM 249 CD PRO A 493 -4.643 -4.149 -5.302 1.00 15.00 C ATOM 0 HA PRO A 493 -2.113 -2.034 -5.188 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.701 -1.292 -4.165 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.133 -0.979 -5.793 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -6.225 -2.709 -5.111 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.406 -2.670 -6.660 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.999 -4.562 -4.358 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.882 -4.876 -6.079 1.00 15.00 H new ATOM 257 N PHE A 494 -1.486 -2.297 -2.865 1.00 15.00 N ATOM 258 CA PHE A 494 -1.106 -2.283 -1.464 1.00 15.00 C ATOM 259 C PHE A 494 -1.249 -0.882 -0.896 1.00 15.00 C ATOM 260 O PHE A 494 -0.898 0.108 -1.547 1.00 15.00 O ATOM 261 CB PHE A 494 0.321 -2.828 -1.255 1.00 15.00 C ATOM 262 CG PHE A 494 1.392 -2.272 -2.169 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.964 -1.028 -1.937 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.853 -3.021 -3.241 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.969 -0.539 -2.760 1.00 15.00 C ATOM 266 CE2 PHE A 494 2.852 -2.540 -4.066 1.00 15.00 C ATOM 267 CZ PHE A 494 3.411 -1.300 -3.824 1.00 15.00 C ATOM 0 H PHE A 494 -0.719 -2.114 -3.512 1.00 15.00 H new ATOM 0 HA PHE A 494 -1.781 -2.946 -0.924 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.615 -2.631 -0.224 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.295 -3.911 -1.378 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.622 -0.432 -1.104 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.425 -3.994 -3.434 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.403 0.431 -2.569 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.196 -3.134 -4.900 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.194 -0.926 -4.467 1.00 15.00 H new ATOM 277 N PHE A 495 -1.775 -0.802 0.314 1.00 15.00 N ATOM 278 CA PHE A 495 -2.031 0.477 0.942 1.00 15.00 C ATOM 279 C PHE A 495 -0.851 0.881 1.812 1.00 15.00 C ATOM 280 O PHE A 495 -0.620 0.310 2.876 1.00 15.00 O ATOM 281 CB PHE A 495 -3.309 0.431 1.782 1.00 15.00 C ATOM 282 CG PHE A 495 -4.509 -0.085 1.042 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.192 0.730 0.154 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.956 -1.381 1.239 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.299 0.259 -0.525 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.063 -1.857 0.565 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.736 -1.035 -0.320 1.00 15.00 C ATOM 0 H PHE A 495 -2.033 -1.611 0.880 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.166 1.219 0.155 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.135 -0.198 2.655 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.526 1.434 2.150 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.856 1.743 -0.009 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.432 -2.027 1.928 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.823 0.903 -1.216 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.402 -2.869 0.729 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.602 -1.404 -0.850 1.00 15.00 H new ATOM 297 N ILE A 496 -0.085 1.840 1.332 1.00 15.00 N ATOM 298 CA ILE A 496 1.044 2.357 2.071 1.00 15.00 C ATOM 299 C ILE A 496 0.594 3.512 2.918 1.00 15.00 C ATOM 300 O ILE A 496 0.366 4.600 2.398 1.00 15.00 O ATOM 301 CB ILE A 496 2.180 2.874 1.163 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.457 1.921 0.003 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.438 3.087 1.982 1.00 15.00 C ATOM 304 CD1 ILE A 496 1.634 2.229 -1.231 1.00 15.00 C ATOM 0 H ILE A 496 -0.228 2.280 0.423 1.00 15.00 H new ATOM 0 HA ILE A 496 1.427 1.528 2.666 1.00 15.00 H new ATOM 0 HB ILE A 496 1.861 3.824 0.735 1.00 15.00 H new ATOM 0 HG12 ILE A 496 3.515 1.968 -0.253 1.00 15.00 H new ATOM 0 HG13 ILE A 496 2.252 0.900 0.323 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.236 3.452 1.335 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.243 3.819 2.765 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.741 2.143 2.435 1.00 15.00 H new ATOM 0 HD11 ILE A 496 1.878 1.516 -2.018 1.00 15.00 H new ATOM 0 HD12 ILE A 496 0.574 2.154 -0.989 1.00 15.00 H new ATOM 0 HD13 ILE A 496 1.857 3.239 -1.574 1.00 15.00 H new ATOM 316 N ASP A 497 0.455 3.309 4.210 1.00 15.00 N ATOM 317 CA ASP A 497 0.141 4.435 5.039 1.00 15.00 C ATOM 318 C ASP A 497 1.386 5.087 5.521 1.00 15.00 C ATOM 319 O ASP A 497 2.259 4.509 6.172 1.00 15.00 O ATOM 320 CB ASP A 497 -0.817 4.148 6.166 1.00 15.00 C ATOM 321 CG ASP A 497 -0.478 4.891 7.440 1.00 15.00 C ATOM 322 OD1 ASP A 497 -0.627 6.126 7.460 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 -0.062 4.250 8.420 1.00 15.00 O ATOM 0 H ASP A 497 0.551 2.413 4.687 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.404 5.130 4.400 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.826 4.417 5.854 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -0.820 3.077 6.368 1.00 15.00 H new ATOM 328 N HIS A 498 1.422 6.318 5.157 1.00 15.00 N ATOM 329 CA HIS A 498 2.604 7.139 5.264 1.00 15.00 C ATOM 330 C HIS A 498 2.806 7.670 6.674 1.00 15.00 C ATOM 331 O HIS A 498 3.851 8.242 6.982 1.00 15.00 O ATOM 332 CB HIS A 498 2.589 8.234 4.199 1.00 15.00 C ATOM 333 CG HIS A 498 2.873 7.674 2.831 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.153 7.420 2.390 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.048 7.258 1.832 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.108 6.873 1.192 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.845 6.766 0.824 1.00 15.00 N ATOM 0 H HIS A 498 0.618 6.807 4.765 1.00 15.00 H new ATOM 0 HA HIS A 498 3.476 6.516 5.068 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.617 8.728 4.197 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.332 8.993 4.445 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.006 7.624 2.911 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.969 7.305 1.831 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.962 6.564 0.608 1.00 15.00 H new ATOM 346 N ASN A 499 1.801 7.493 7.528 1.00 15.00 N ATOM 347 CA ASN A 499 1.929 7.895 8.921 1.00 15.00 C ATOM 348 C ASN A 499 2.770 6.872 9.680 1.00 15.00 C ATOM 349 O ASN A 499 3.714 7.233 10.380 1.00 15.00 O ATOM 350 CB ASN A 499 0.554 8.035 9.592 1.00 15.00 C ATOM 351 CG ASN A 499 -0.342 9.059 8.916 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.294 10.250 9.229 1.00 15.00 O ATOM 353 ND2 ASN A 499 -1.170 8.603 7.987 1.00 15.00 N ATOM 0 H ASN A 499 0.902 7.079 7.282 1.00 15.00 H new ATOM 0 HA ASN A 499 2.420 8.868 8.947 1.00 15.00 H new ATOM 0 HB2 ASN A 499 0.055 7.066 9.588 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.694 8.317 10.636 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.797 9.246 7.503 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -1.180 7.610 7.756 1.00 15.00 H new ATOM 360 N THR A 500 2.425 5.594 9.538 1.00 15.00 N ATOM 361 CA THR A 500 3.207 4.519 10.140 1.00 15.00 C ATOM 362 C THR A 500 4.433 4.195 9.294 1.00 15.00 C ATOM 363 O THR A 500 5.293 3.429 9.721 1.00 15.00 O ATOM 364 CB THR A 500 2.377 3.232 10.314 1.00 15.00 C ATOM 365 OG1 THR A 500 1.913 2.771 9.038 1.00 15.00 O ATOM 366 CG2 THR A 500 1.195 3.471 11.239 1.00 15.00 C ATOM 0 H THR A 500 1.610 5.279 9.012 1.00 15.00 H new ATOM 0 HA THR A 500 3.517 4.876 11.122 1.00 15.00 H new ATOM 0 HB THR A 500 3.016 2.471 10.761 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.369 3.469 8.616 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.624 2.548 11.346 1.00 15.00 H new ATOM 0 HG22 THR A 500 1.557 3.790 12.217 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.555 4.247 10.818 1.00 15.00 H new ATOM 374 N LYS A 501 4.468 4.769 8.087 1.00 15.00 N ATOM 375 CA LYS A 501 5.510 4.518 7.078 1.00 15.00 C ATOM 376 C LYS A 501 5.551 3.040 6.674 1.00 15.00 C ATOM 377 O LYS A 501 6.534 2.573 6.103 1.00 15.00 O ATOM 378 CB LYS A 501 6.909 4.994 7.535 1.00 15.00 C ATOM 379 CG LYS A 501 7.692 4.011 8.406 1.00 15.00 C ATOM 380 CD LYS A 501 9.186 4.306 8.401 1.00 15.00 C ATOM 381 CE LYS A 501 9.888 3.724 7.179 1.00 15.00 C ATOM 382 NZ LYS A 501 9.451 4.363 5.912 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.761 5.434 7.775 1.00 15.00 H new ATOM 0 HA LYS A 501 5.238 5.110 6.204 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.503 5.219 6.649 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.793 5.927 8.087 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.318 4.056 9.429 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.522 2.995 8.048 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.341 5.385 8.427 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.638 3.898 9.305 1.00 15.00 H new ATOM 0 HE2 LYS A 501 10.965 3.846 7.291 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.692 2.653 7.128 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.102 4.097 5.146 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.490 4.044 5.676 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 9.454 5.397 6.025 1.00 15.00 H new ATOM 396 N THR A 502 4.455 2.332 6.908 1.00 15.00 N ATOM 397 CA THR A 502 4.377 0.916 6.577 1.00 15.00 C ATOM 398 C THR A 502 3.167 0.640 5.695 1.00 15.00 C ATOM 399 O THR A 502 2.160 1.348 5.762 1.00 15.00 O ATOM 400 CB THR A 502 4.313 0.019 7.837 1.00 15.00 C ATOM 401 OG1 THR A 502 3.208 0.396 8.674 1.00 15.00 O ATOM 402 CG2 THR A 502 5.607 0.098 8.633 1.00 15.00 C ATOM 0 H THR A 502 3.607 2.715 7.326 1.00 15.00 H new ATOM 0 HA THR A 502 5.291 0.669 6.037 1.00 15.00 H new ATOM 0 HB THR A 502 4.172 -1.008 7.501 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.020 1.351 8.557 1.00 15.00 H new ATOM 0 HG21 THR A 502 5.533 -0.542 9.512 1.00 15.00 H new ATOM 0 HG22 THR A 502 6.438 -0.235 8.011 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.779 1.128 8.947 1.00 15.00 H new ATOM 410 N THR A 503 3.279 -0.369 4.848 1.00 15.00 N ATOM 411 CA THR A 503 2.197 -0.729 3.952 1.00 15.00 C ATOM 412 C THR A 503 1.455 -1.959 4.470 1.00 15.00 C ATOM 413 O THR A 503 2.066 -2.912 4.962 1.00 15.00 O ATOM 414 CB THR A 503 2.714 -0.970 2.511 1.00 15.00 C ATOM 415 OG1 THR A 503 1.637 -1.355 1.646 1.00 15.00 O ATOM 416 CG2 THR A 503 3.802 -2.037 2.478 1.00 15.00 C ATOM 0 H THR A 503 4.111 -0.954 4.763 1.00 15.00 H new ATOM 0 HA THR A 503 1.500 0.108 3.920 1.00 15.00 H new ATOM 0 HB THR A 503 3.142 -0.031 2.159 1.00 15.00 H new ATOM 0 HG1 THR A 503 1.895 -1.199 0.713 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.141 -2.180 1.452 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.642 -1.720 3.097 1.00 15.00 H new ATOM 0 HG23 THR A 503 3.403 -2.976 2.862 1.00 15.00 H new ATOM 424 N THR A 504 0.133 -1.914 4.387 1.00 15.00 N ATOM 425 CA THR A 504 -0.693 -3.016 4.831 1.00 15.00 C ATOM 426 C THR A 504 -1.161 -3.856 3.650 1.00 15.00 C ATOM 427 O THR A 504 -1.480 -3.336 2.570 1.00 15.00 O ATOM 428 CB THR A 504 -1.914 -2.529 5.651 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.705 -3.649 6.081 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.783 -1.575 4.842 1.00 15.00 C ATOM 0 H THR A 504 -0.388 -1.120 4.014 1.00 15.00 H new ATOM 0 HA THR A 504 -0.075 -3.634 5.483 1.00 15.00 H new ATOM 0 HB THR A 504 -1.533 -1.995 6.521 1.00 15.00 H new ATOM 0 HG1 THR A 504 -3.598 -3.592 5.681 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.630 -1.253 5.447 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.194 -0.705 4.550 1.00 15.00 H new ATOM 0 HG23 THR A 504 -3.147 -2.083 3.949 1.00 15.00 H new ATOM 438 N TRP A 505 -1.185 -5.162 3.875 1.00 15.00 N ATOM 439 CA TRP A 505 -1.614 -6.124 2.876 1.00 15.00 C ATOM 440 C TRP A 505 -3.074 -6.511 3.137 1.00 15.00 C ATOM 441 O TRP A 505 -3.674 -7.299 2.406 1.00 15.00 O ATOM 442 CB TRP A 505 -0.683 -7.347 2.936 1.00 15.00 C ATOM 443 CG TRP A 505 -0.875 -8.381 1.858 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.511 -9.693 1.942 1.00 15.00 C ATOM 445 CD2 TRP A 505 -1.455 -8.213 0.550 1.00 15.00 C ATOM 446 NE1 TRP A 505 -0.820 -10.348 0.780 1.00 15.00 N ATOM 447 CE2 TRP A 505 -1.406 -9.468 -0.086 1.00 15.00 C ATOM 448 CE3 TRP A 505 -2.011 -7.133 -0.146 1.00 15.00 C ATOM 449 CZ2 TRP A 505 -1.891 -9.672 -1.371 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -2.493 -7.340 -1.426 1.00 15.00 C ATOM 451 CH2 TRP A 505 -2.430 -8.601 -2.025 1.00 15.00 C ATOM 0 H TRP A 505 -0.906 -5.584 4.761 1.00 15.00 H new ATOM 0 HA TRP A 505 -1.556 -5.695 1.876 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.348 -6.995 2.894 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -0.815 -7.832 3.903 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.045 -10.150 2.803 1.00 15.00 H new ATOM 0 HE1 TRP A 505 -0.641 -11.334 0.591 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.063 -6.155 0.309 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 -1.844 -10.645 -1.838 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -2.925 -6.514 -1.971 1.00 15.00 H new ATOM 0 HH2 TRP A 505 -2.815 -8.731 -3.025 1.00 15.00 H new ATOM 462 N GLU A 506 -3.647 -5.936 4.184 1.00 15.00 N ATOM 463 CA GLU A 506 -5.038 -6.182 4.512 1.00 15.00 C ATOM 464 C GLU A 506 -5.839 -4.916 4.412 1.00 15.00 C ATOM 465 O GLU A 506 -5.485 -3.881 4.985 1.00 15.00 O ATOM 466 CB GLU A 506 -5.182 -6.817 5.895 1.00 15.00 C ATOM 467 CG GLU A 506 -4.560 -8.198 5.996 1.00 15.00 C ATOM 468 CD GLU A 506 -4.947 -8.916 7.271 1.00 15.00 C ATOM 469 OE1 GLU A 506 -5.988 -9.608 7.271 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -4.220 -8.793 8.278 1.00 15.00 O ATOM 0 H GLU A 506 -3.168 -5.297 4.819 1.00 15.00 H new ATOM 0 HA GLU A 506 -5.432 -6.892 3.785 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -4.720 -6.164 6.635 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.240 -6.885 6.146 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -4.869 -8.796 5.138 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -3.475 -8.109 5.948 1.00 15.00 H new ATOM 477 N ASP A 507 -6.919 -5.035 3.666 1.00 15.00 N ATOM 478 CA ASP A 507 -7.796 -3.928 3.370 1.00 15.00 C ATOM 479 C ASP A 507 -8.556 -3.477 4.615 1.00 15.00 C ATOM 480 O ASP A 507 -9.371 -4.223 5.163 1.00 15.00 O ATOM 481 CB ASP A 507 -8.753 -4.328 2.235 1.00 15.00 C ATOM 482 CG ASP A 507 -9.949 -3.407 2.085 1.00 15.00 C ATOM 483 OD1 ASP A 507 -9.756 -2.193 1.897 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -11.095 -3.915 2.146 1.00 15.00 O ATOM 0 H ASP A 507 -7.213 -5.916 3.245 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.200 -3.077 3.042 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -8.200 -4.345 1.296 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.109 -5.343 2.414 1.00 15.00 H new ATOM 489 N PRO A 508 -8.265 -2.257 5.093 1.00 15.00 N ATOM 490 CA PRO A 508 -8.896 -1.712 6.291 1.00 15.00 C ATOM 491 C PRO A 508 -10.369 -1.381 6.059 1.00 15.00 C ATOM 492 O PRO A 508 -11.246 -2.169 6.419 1.00 15.00 O ATOM 493 CB PRO A 508 -8.073 -0.452 6.598 1.00 15.00 C ATOM 494 CG PRO A 508 -7.405 -0.076 5.318 1.00 15.00 C ATOM 495 CD PRO A 508 -7.292 -1.326 4.490 1.00 15.00 C ATOM 0 HA PRO A 508 -8.900 -2.422 7.118 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -8.713 0.355 6.956 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -7.338 -0.646 7.379 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -7.983 0.683 4.791 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.420 0.349 5.509 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -7.525 -1.131 3.443 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.281 -1.733 4.521 1.00 15.00 H new ATOM 503 N ARG A 509 -10.621 -0.248 5.406 1.00 15.00 N ATOM 504 CA ARG A 509 -11.975 0.210 5.111 1.00 15.00 C ATOM 505 C ARG A 509 -11.927 1.599 4.491 1.00 15.00 C ATOM 506 O ARG A 509 -11.914 1.697 3.247 1.00 15.00 O ATOM 507 CB ARG A 509 -12.854 0.236 6.372 1.00 15.00 C ATOM 508 CG ARG A 509 -14.346 0.408 6.087 1.00 15.00 C ATOM 509 CD ARG A 509 -14.954 -0.830 5.430 1.00 15.00 C ATOM 510 NE ARG A 509 -14.392 -1.093 4.106 1.00 15.00 N ATOM 511 CZ ARG A 509 -13.657 -2.161 3.807 1.00 15.00 C ATOM 512 NH1 ARG A 509 -13.504 -3.134 4.695 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -13.084 -2.251 2.615 1.00 15.00 N ATOM 0 H ARG A 509 -9.891 0.378 5.067 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.418 -0.495 4.407 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -12.705 -0.691 6.925 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -12.522 1.049 7.017 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -14.871 0.617 7.019 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -14.493 1.271 5.438 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -14.788 -1.696 6.071 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -16.033 -0.699 5.344 1.00 15.00 H new ATOM 0 HE ARG A 509 -14.575 -0.416 3.366 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -13.950 -3.065 5.610 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.940 -3.952 4.463 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -13.208 -1.504 1.932 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.520 -3.068 2.381 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 0.118 -18.398 -2.258 1.00 15.00 N ATOM 529 CA ARG B 925 0.077 -17.150 -1.468 1.00 15.00 C ATOM 530 C ARG B 925 1.119 -16.178 -2.012 1.00 15.00 C ATOM 531 O ARG B 925 2.312 -16.480 -2.024 1.00 15.00 O ATOM 532 CB ARG B 925 0.345 -17.482 0.012 1.00 15.00 C ATOM 533 CG ARG B 925 0.115 -16.338 1.001 1.00 15.00 C ATOM 534 CD ARG B 925 1.286 -15.363 1.051 1.00 15.00 C ATOM 535 NE ARG B 925 2.567 -16.040 1.263 1.00 15.00 N ATOM 536 CZ ARG B 925 3.695 -15.413 1.594 1.00 15.00 C ATOM 537 NH1 ARG B 925 3.678 -14.120 1.898 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 4.832 -16.090 1.664 1.00 15.00 N ATOM 0 HA ARG B 925 -0.904 -16.681 -1.545 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -0.292 -18.319 0.299 1.00 15.00 H new ATOM 0 HB3 ARG B 925 1.377 -17.819 0.108 1.00 15.00 H new ATOM 0 HG2 ARG B 925 -0.791 -15.799 0.723 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -0.052 -16.751 1.996 1.00 15.00 H new ATOM 0 HD2 ARG B 925 1.326 -14.799 0.119 1.00 15.00 H new ATOM 0 HD3 ARG B 925 1.122 -14.643 1.852 1.00 15.00 H new ATOM 0 HE ARG B 925 2.598 -17.053 1.150 1.00 15.00 H new ATOM 0 HH11 ARG B 925 2.799 -13.603 1.879 1.00 15.00 H new ATOM 0 HH12 ARG B 925 4.544 -13.644 2.151 1.00 15.00 H new ATOM 0 HH21 ARG B 925 4.843 -17.090 1.465 1.00 15.00 H new ATOM 0 HH22 ARG B 925 5.696 -15.611 1.917 1.00 15.00 H new ATOM 554 N LEU B 926 0.667 -15.018 -2.467 1.00 15.00 N ATOM 555 CA LEU B 926 1.574 -14.010 -2.997 1.00 15.00 C ATOM 556 C LEU B 926 2.243 -13.265 -1.851 1.00 15.00 C ATOM 557 O LEU B 926 1.573 -12.711 -0.975 1.00 15.00 O ATOM 558 CB LEU B 926 0.844 -13.037 -3.941 1.00 15.00 C ATOM 559 CG LEU B 926 -0.234 -12.139 -3.313 1.00 15.00 C ATOM 560 CD1 LEU B 926 -0.620 -11.032 -4.280 1.00 15.00 C ATOM 561 CD2 LEU B 926 -1.471 -12.941 -2.929 1.00 15.00 C ATOM 0 H LEU B 926 -0.318 -14.752 -2.480 1.00 15.00 H new ATOM 0 HA LEU B 926 2.342 -14.511 -3.586 1.00 15.00 H new ATOM 0 HB2 LEU B 926 1.590 -12.395 -4.410 1.00 15.00 H new ATOM 0 HB3 LEU B 926 0.379 -13.620 -4.736 1.00 15.00 H new ATOM 0 HG LEU B 926 0.183 -11.702 -2.406 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -1.384 -10.402 -3.825 1.00 15.00 H new ATOM 0 HD12 LEU B 926 0.258 -10.428 -4.511 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -1.011 -11.471 -5.198 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -2.213 -12.276 -2.488 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -1.889 -13.413 -3.818 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -1.197 -13.709 -2.206 1.00 15.00 H new ATOM 573 N ASP B 927 3.566 -13.260 -1.857 1.00 15.00 N ATOM 574 CA ASP B 927 4.334 -12.729 -0.740 1.00 15.00 C ATOM 575 C ASP B 927 4.276 -11.210 -0.709 1.00 15.00 C ATOM 576 O ASP B 927 4.374 -10.552 -1.744 1.00 15.00 O ATOM 577 CB ASP B 927 5.787 -13.191 -0.829 1.00 15.00 C ATOM 578 CG ASP B 927 6.438 -13.310 0.536 1.00 15.00 C ATOM 579 OD1 ASP B 927 5.985 -12.631 1.480 1.00 15.00 O1- ATOM 580 OD2 ASP B 927 7.384 -14.108 0.676 1.00 15.00 O ATOM 0 H ASP B 927 4.133 -13.619 -2.625 1.00 15.00 H new ATOM 0 HA ASP B 927 3.893 -13.109 0.181 1.00 15.00 H new ATOM 0 HB2 ASP B 927 5.829 -14.156 -1.334 1.00 15.00 H new ATOM 0 HB3 ASP B 927 6.353 -12.487 -1.439 1.00 15.00 H new ATOM 585 N LEU B 928 4.133 -10.663 0.488 1.00 15.00 N ATOM 586 CA LEU B 928 4.060 -9.223 0.678 1.00 15.00 C ATOM 587 C LEU B 928 5.468 -8.691 0.952 1.00 15.00 C ATOM 588 O LEU B 928 6.119 -9.097 1.918 1.00 15.00 O ATOM 589 CB LEU B 928 3.079 -8.912 1.831 1.00 15.00 C ATOM 590 CG LEU B 928 2.743 -7.430 2.103 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.891 -6.707 2.795 1.00 15.00 C ATOM 592 CD2 LEU B 928 2.361 -6.721 0.813 1.00 15.00 C ATOM 0 H LEU B 928 4.065 -11.202 1.351 1.00 15.00 H new ATOM 0 HA LEU B 928 3.682 -8.727 -0.216 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.145 -9.437 1.628 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.491 -9.337 2.746 1.00 15.00 H new ATOM 0 HG LEU B 928 1.889 -7.407 2.779 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.614 -5.667 2.968 1.00 15.00 H new ATOM 0 HD12 LEU B 928 4.103 -7.190 3.749 1.00 15.00 H new ATOM 0 HD13 LEU B 928 4.779 -6.746 2.164 1.00 15.00 H new ATOM 0 HD21 LEU B 928 2.128 -5.678 1.026 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.193 -6.771 0.110 1.00 15.00 H new ATOM 0 HD23 LEU B 928 1.488 -7.206 0.376 1.00 15.00 H new ATOM 604 N PRO B 929 5.957 -7.783 0.091 1.00 15.00 N ATOM 605 CA PRO B 929 7.328 -7.274 0.158 1.00 15.00 C ATOM 606 C PRO B 929 7.530 -6.263 1.283 1.00 15.00 C ATOM 607 O PRO B 929 6.699 -5.378 1.487 1.00 15.00 O ATOM 608 CB PRO B 929 7.535 -6.588 -1.202 1.00 15.00 C ATOM 609 CG PRO B 929 6.289 -6.826 -1.995 1.00 15.00 C ATOM 610 CD PRO B 929 5.212 -7.169 -1.009 1.00 15.00 C ATOM 0 HA PRO B 929 8.035 -8.078 0.362 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.715 -5.521 -1.074 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.405 -6.999 -1.715 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.020 -5.940 -2.569 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.433 -7.637 -2.709 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.667 -6.283 -0.683 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.480 -7.856 -1.434 1.00 15.00 H new ATOM 618 N PRO B 930 8.648 -6.386 2.019 1.00 15.00 N ATOM 619 CA PRO B 930 9.042 -5.401 3.032 1.00 15.00 C ATOM 620 C PRO B 930 9.140 -4.009 2.418 1.00 15.00 C ATOM 621 O PRO B 930 9.710 -3.845 1.338 1.00 15.00 O ATOM 622 CB PRO B 930 10.420 -5.890 3.490 1.00 15.00 C ATOM 623 CG PRO B 930 10.435 -7.343 3.167 1.00 15.00 C ATOM 624 CD PRO B 930 9.608 -7.499 1.925 1.00 15.00 C ATOM 0 HA PRO B 930 8.326 -5.321 3.850 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.220 -5.361 2.971 1.00 15.00 H new ATOM 0 HB3 PRO B 930 10.565 -5.720 4.557 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.453 -7.696 3.005 1.00 15.00 H new ATOM 0 HG3 PRO B 930 10.021 -7.929 3.987 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.217 -7.430 1.024 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.103 -8.465 1.896 1.00 15.00 H new ATOM 632 N TYR B 931 8.603 -3.008 3.101 1.00 15.00 N ATOM 633 CA TYR B 931 8.466 -1.687 2.506 1.00 15.00 C ATOM 634 C TYR B 931 9.824 -1.053 2.222 1.00 15.00 C ATOM 635 O TYR B 931 10.636 -0.831 3.123 1.00 15.00 O ATOM 636 CB TYR B 931 7.631 -0.784 3.428 1.00 15.00 C ATOM 637 CG TYR B 931 7.433 0.638 2.929 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.744 0.901 1.749 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.925 1.723 3.650 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.556 2.196 1.304 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.736 3.018 3.211 1.00 15.00 C ATOM 642 CZ TYR B 931 7.054 3.251 2.038 1.00 15.00 C ATOM 643 OH TYR B 931 6.867 4.543 1.601 1.00 15.00 O ATOM 0 H TYR B 931 8.258 -3.084 4.058 1.00 15.00 H new ATOM 0 HA TYR B 931 7.953 -1.798 1.550 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.652 -1.242 3.571 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.111 -0.746 4.406 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.349 0.079 1.171 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.464 1.548 4.569 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.021 2.381 0.384 1.00 15.00 H new ATOM 0 HE2 TYR B 931 8.122 3.846 3.786 1.00 15.00 H new ATOM 0 HH TYR B 931 7.279 5.166 2.235 1.00 15.00 H new ATOM 653 N GLU B 932 10.046 -0.778 0.949 1.00 15.00 N ATOM 654 CA GLU B 932 11.129 0.077 0.497 1.00 15.00 C ATOM 655 C GLU B 932 10.480 1.352 0.012 1.00 15.00 C ATOM 656 O GLU B 932 9.256 1.461 0.049 1.00 15.00 O ATOM 657 CB GLU B 932 11.915 -0.552 -0.658 1.00 15.00 C ATOM 658 CG GLU B 932 12.374 -1.976 -0.421 1.00 15.00 C ATOM 659 CD GLU B 932 13.195 -2.504 -1.582 1.00 15.00 C ATOM 660 OE1 GLU B 932 12.723 -2.422 -2.741 1.00 15.00 O ATOM 661 OE2 GLU B 932 14.321 -2.993 -1.347 1.00 15.00 O1- ATOM 0 H GLU B 932 9.472 -1.147 0.191 1.00 15.00 H new ATOM 0 HA GLU B 932 11.835 0.243 1.311 1.00 15.00 H new ATOM 0 HB2 GLU B 932 11.294 -0.531 -1.554 1.00 15.00 H new ATOM 0 HB3 GLU B 932 12.789 0.066 -0.861 1.00 15.00 H new ATOM 0 HG2 GLU B 932 12.967 -2.019 0.493 1.00 15.00 H new ATOM 0 HG3 GLU B 932 11.506 -2.617 -0.269 1.00 15.00 H new ATOM 668 N THR B 933 11.235 2.312 -0.459 1.00 15.00 N ATOM 669 CA THR B 933 10.584 3.445 -1.060 1.00 15.00 C ATOM 670 C THR B 933 10.385 3.205 -2.546 1.00 15.00 C ATOM 671 O THR B 933 11.330 2.982 -3.304 1.00 15.00 O ATOM 672 CB THR B 933 11.322 4.764 -0.826 1.00 15.00 C ATOM 673 OG1 THR B 933 11.768 4.823 0.534 1.00 15.00 O ATOM 674 CG2 THR B 933 10.383 5.935 -1.114 1.00 15.00 C ATOM 0 H THR B 933 12.255 2.335 -0.441 1.00 15.00 H new ATOM 0 HA THR B 933 9.616 3.545 -0.569 1.00 15.00 H new ATOM 0 HB THR B 933 12.183 4.824 -1.492 1.00 15.00 H new ATOM 0 HG1 THR B 933 12.243 5.667 0.686 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.911 6.874 -0.947 1.00 15.00 H new ATOM 0 HG22 THR B 933 10.048 5.887 -2.150 1.00 15.00 H new ATOM 0 HG23 THR B 933 9.520 5.881 -0.451 1.00 15.00 H new ATOM 682 N PHE B 934 9.132 3.220 -2.923 1.00 15.00 N ATOM 683 CA PHE B 934 8.707 3.094 -4.298 1.00 15.00 C ATOM 684 C PHE B 934 8.591 4.501 -4.885 1.00 15.00 C ATOM 685 O PHE B 934 8.908 5.476 -4.197 1.00 15.00 O ATOM 686 CB PHE B 934 7.382 2.324 -4.388 1.00 15.00 C ATOM 687 CG PHE B 934 6.222 3.120 -3.896 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.951 3.226 -2.546 1.00 15.00 C ATOM 689 CD2 PHE B 934 5.442 3.813 -4.792 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.912 4.011 -2.106 1.00 15.00 C ATOM 691 CE2 PHE B 934 4.416 4.609 -4.361 1.00 15.00 C ATOM 692 CZ PHE B 934 4.151 4.708 -3.021 1.00 15.00 C ATOM 0 H PHE B 934 8.358 3.323 -2.267 1.00 15.00 H new ATOM 0 HA PHE B 934 9.435 2.523 -4.873 1.00 15.00 H new ATOM 0 HB2 PHE B 934 7.205 2.033 -5.423 1.00 15.00 H new ATOM 0 HB3 PHE B 934 7.460 1.405 -3.807 1.00 15.00 H new ATOM 0 HD1 PHE B 934 6.559 2.689 -1.832 1.00 15.00 H new ATOM 0 HD2 PHE B 934 5.642 3.728 -5.850 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.693 4.082 -1.051 1.00 15.00 H new ATOM 0 HE2 PHE B 934 3.818 5.157 -5.074 1.00 15.00 H new ATOM 0 HZ PHE B 934 3.341 5.336 -2.679 1.00 15.00 H new ATOM 702 N GLU B 935 8.185 4.602 -6.144 1.00 15.00 N ATOM 703 CA GLU B 935 8.132 5.877 -6.857 1.00 15.00 C ATOM 704 C GLU B 935 7.439 6.965 -6.030 1.00 15.00 C ATOM 705 O GLU B 935 6.446 6.713 -5.347 1.00 15.00 O ATOM 706 CB GLU B 935 7.353 5.694 -8.167 1.00 15.00 C ATOM 707 CG GLU B 935 5.964 5.081 -7.979 1.00 15.00 C ATOM 708 CD GLU B 935 5.955 3.565 -8.129 1.00 15.00 C ATOM 709 OE1 GLU B 935 6.894 2.897 -7.647 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 5.010 3.033 -8.751 1.00 15.00 O ATOM 0 H GLU B 935 7.883 3.804 -6.702 1.00 15.00 H new ATOM 0 HA GLU B 935 9.158 6.190 -7.050 1.00 15.00 H new ATOM 0 HB2 GLU B 935 7.249 6.663 -8.655 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.932 5.059 -8.838 1.00 15.00 H new ATOM 0 HG2 GLU B 935 5.588 5.345 -6.991 1.00 15.00 H new ATOM 0 HG3 GLU B 935 5.280 5.516 -8.707 1.00 15.00 H new ATOM 717 N ASP B 936 7.986 8.177 -6.119 1.00 15.00 N ATOM 718 CA ASP B 936 7.505 9.334 -5.360 1.00 15.00 C ATOM 719 C ASP B 936 5.993 9.496 -5.469 1.00 15.00 C ATOM 720 O ASP B 936 5.441 9.586 -6.569 1.00 15.00 O ATOM 721 CB ASP B 936 8.203 10.604 -5.855 1.00 15.00 C ATOM 722 CG ASP B 936 7.629 11.869 -5.250 1.00 15.00 C ATOM 723 OD1 ASP B 936 7.798 12.082 -4.034 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 7.008 12.659 -5.998 1.00 15.00 O ATOM 0 H ASP B 936 8.781 8.386 -6.723 1.00 15.00 H new ATOM 0 HA ASP B 936 7.744 9.166 -4.310 1.00 15.00 H new ATOM 0 HB2 ASP B 936 9.265 10.544 -5.618 1.00 15.00 H new ATOM 0 HB3 ASP B 936 8.121 10.657 -6.941 1.00 15.00 H new ATOM 729 N LEU B 937 5.340 9.540 -4.316 1.00 15.00 N ATOM 730 CA LEU B 937 3.892 9.649 -4.244 1.00 15.00 C ATOM 731 C LEU B 937 3.436 11.052 -4.646 1.00 15.00 C ATOM 732 O LEU B 937 3.957 12.057 -4.162 1.00 15.00 O ATOM 733 CB LEU B 937 3.363 9.227 -2.839 1.00 15.00 C ATOM 734 CG LEU B 937 3.704 10.100 -1.600 1.00 15.00 C ATOM 735 CD1 LEU B 937 5.173 10.490 -1.539 1.00 15.00 C ATOM 736 CD2 LEU B 937 2.815 11.333 -1.523 1.00 15.00 C ATOM 0 H LEU B 937 5.799 9.501 -3.406 1.00 15.00 H new ATOM 0 HA LEU B 937 3.456 8.953 -4.960 1.00 15.00 H new ATOM 0 HB2 LEU B 937 2.277 9.163 -2.905 1.00 15.00 H new ATOM 0 HB3 LEU B 937 3.730 8.220 -2.640 1.00 15.00 H new ATOM 0 HG LEU B 937 3.504 9.477 -0.728 1.00 15.00 H new ATOM 0 HD11 LEU B 937 5.351 11.099 -0.653 1.00 15.00 H new ATOM 0 HD12 LEU B 937 5.787 9.590 -1.491 1.00 15.00 H new ATOM 0 HD13 LEU B 937 5.435 11.061 -2.430 1.00 15.00 H new ATOM 0 HD21 LEU B 937 3.082 11.920 -0.644 1.00 15.00 H new ATOM 0 HD22 LEU B 937 2.954 11.938 -2.419 1.00 15.00 H new ATOM 0 HD23 LEU B 937 1.772 11.025 -1.451 1.00 15.00 H new HETATM 748 N NH2 B 938 2.499 11.115 -5.580 1.00 15.00 N TER 751 NH2 B 938