USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=8 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 HE2:sc= -3 K(o=-3,f=-4!) USER MOD Set 1.2: B 931 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 500 THR OG1 : rot -36:sc= 1.3 USER MOD Set 2.2: A 502 THR OG1 : rot -87:sc= 1.2 USER MOD Single : A 485 MET CE :methyl 136:sc= -0.636 (180deg=-2.11) USER MOD Single : A 490 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.4) USER MOD Single : A 499 ASN : amide:sc= -1.6 K(o=-1.6,f=-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 USER MOD Single : A 504 THR OG1 : rot 115:sc= 0.0793 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -11.142 7.852 -2.264 1.00 15.00 N ATOM 2 CA PHE A 478 -9.766 7.326 -2.413 1.00 15.00 C ATOM 3 C PHE A 478 -9.118 7.216 -1.038 1.00 15.00 C ATOM 4 O PHE A 478 -9.597 7.817 -0.076 1.00 15.00 O ATOM 5 CB PHE A 478 -8.951 8.256 -3.330 1.00 15.00 C ATOM 6 CG PHE A 478 -7.558 7.774 -3.644 1.00 15.00 C ATOM 7 CD1 PHE A 478 -7.352 6.777 -4.583 1.00 15.00 C ATOM 8 CD2 PHE A 478 -6.456 8.324 -3.005 1.00 15.00 C ATOM 9 CE1 PHE A 478 -6.076 6.336 -4.879 1.00 15.00 C ATOM 10 CE2 PHE A 478 -5.177 7.887 -3.297 1.00 15.00 C ATOM 11 CZ PHE A 478 -4.987 6.891 -4.236 1.00 15.00 C ATOM 0 HA PHE A 478 -9.794 6.336 -2.868 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.494 8.387 -4.266 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -8.883 9.237 -2.861 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -8.199 6.339 -5.090 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -6.599 9.103 -2.271 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -5.931 5.557 -5.613 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -4.328 8.323 -2.792 1.00 15.00 H new ATOM 0 HZ PHE A 478 -3.989 6.547 -4.466 1.00 15.00 H new ATOM 21 N LEU A 479 -8.043 6.444 -0.959 1.00 15.00 N ATOM 22 CA LEU A 479 -7.319 6.226 0.287 1.00 15.00 C ATOM 23 C LEU A 479 -6.968 7.542 0.986 1.00 15.00 C ATOM 24 O LEU A 479 -6.597 8.522 0.337 1.00 15.00 O ATOM 25 CB LEU A 479 -6.043 5.427 0.003 1.00 15.00 C ATOM 26 CG LEU A 479 -6.067 3.963 0.454 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.198 3.204 -0.225 1.00 15.00 C ATOM 28 CD2 LEU A 479 -4.740 3.293 0.149 1.00 15.00 C ATOM 0 H LEU A 479 -7.647 5.950 -1.759 1.00 15.00 H new ATOM 0 HA LEU A 479 -7.969 5.665 0.958 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -5.848 5.455 -1.069 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -5.206 5.926 0.492 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.235 3.945 1.531 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -7.194 2.167 0.112 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -8.152 3.665 0.032 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.060 3.235 -1.306 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.774 2.254 0.476 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.552 3.330 -0.924 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -3.940 3.813 0.676 1.00 15.00 H new ATOM 40 N PRO A 480 -7.113 7.559 2.330 1.00 15.00 N ATOM 41 CA PRO A 480 -6.712 8.676 3.208 1.00 15.00 C ATOM 42 C PRO A 480 -5.413 9.375 2.771 1.00 15.00 C ATOM 43 O PRO A 480 -4.571 8.774 2.118 1.00 15.00 O ATOM 44 CB PRO A 480 -6.494 7.940 4.522 1.00 15.00 C ATOM 45 CG PRO A 480 -7.576 6.925 4.541 1.00 15.00 C ATOM 46 CD PRO A 480 -7.715 6.459 3.116 1.00 15.00 C ATOM 0 HA PRO A 480 -7.446 9.482 3.224 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.509 7.476 4.562 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.563 8.615 5.375 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.325 6.096 5.202 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.509 7.353 4.907 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.194 5.516 2.950 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -8.759 6.298 2.847 1.00 15.00 H new ATOM 54 N PRO A 481 -5.215 10.638 3.198 1.00 15.00 N ATOM 55 CA PRO A 481 -4.093 11.489 2.742 1.00 15.00 C ATOM 56 C PRO A 481 -2.696 10.891 2.964 1.00 15.00 C ATOM 57 O PRO A 481 -1.718 11.367 2.389 1.00 15.00 O ATOM 58 CB PRO A 481 -4.248 12.767 3.569 1.00 15.00 C ATOM 59 CG PRO A 481 -5.677 12.782 3.991 1.00 15.00 C ATOM 60 CD PRO A 481 -6.076 11.346 4.162 1.00 15.00 C ATOM 0 HA PRO A 481 -4.148 11.629 1.662 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.582 12.762 4.432 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.001 13.650 2.980 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.803 13.335 4.922 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.299 13.273 3.243 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.907 11.000 5.182 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.133 11.194 3.945 1.00 15.00 H new ATOM 68 N GLY A 482 -2.592 9.882 3.823 1.00 15.00 N ATOM 69 CA GLY A 482 -1.315 9.215 4.017 1.00 15.00 C ATOM 70 C GLY A 482 -1.365 7.773 3.586 1.00 15.00 C ATOM 71 O GLY A 482 -0.370 7.057 3.674 1.00 15.00 O ATOM 0 H GLY A 482 -3.361 9.516 4.384 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.543 9.737 3.451 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.032 9.270 5.068 1.00 15.00 H new ATOM 75 N TRP A 483 -2.525 7.348 3.130 1.00 15.00 N ATOM 76 CA TRP A 483 -2.695 6.013 2.605 1.00 15.00 C ATOM 77 C TRP A 483 -2.578 6.059 1.096 1.00 15.00 C ATOM 78 O TRP A 483 -3.322 6.770 0.425 1.00 15.00 O ATOM 79 CB TRP A 483 -4.050 5.431 3.009 1.00 15.00 C ATOM 80 CG TRP A 483 -4.116 4.954 4.425 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.187 5.725 5.544 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.128 3.593 4.871 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.260 4.933 6.659 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.217 3.618 6.274 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.071 2.355 4.221 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.258 2.456 7.038 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.108 1.201 4.982 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.202 1.259 6.378 1.00 15.00 C ATOM 0 H TRP A 483 -3.372 7.917 3.114 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.919 5.369 3.019 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.818 6.189 2.857 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.288 4.599 2.346 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.186 6.805 5.552 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.334 5.267 7.620 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.999 2.302 3.145 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.331 2.498 8.115 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -4.064 0.240 4.492 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.231 0.340 6.945 1.00 15.00 H new ATOM 99 N GLU A 484 -1.634 5.318 0.569 1.00 15.00 N ATOM 100 CA GLU A 484 -1.399 5.300 -0.856 1.00 15.00 C ATOM 101 C GLU A 484 -1.701 3.913 -1.398 1.00 15.00 C ATOM 102 O GLU A 484 -1.335 2.913 -0.800 1.00 15.00 O ATOM 103 CB GLU A 484 0.044 5.704 -1.135 1.00 15.00 C ATOM 104 CG GLU A 484 0.191 6.797 -2.184 1.00 15.00 C ATOM 105 CD GLU A 484 -0.315 6.407 -3.563 1.00 15.00 C ATOM 106 OE1 GLU A 484 -1.521 6.118 -3.709 1.00 15.00 O ATOM 107 OE2 GLU A 484 0.491 6.412 -4.512 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.012 4.716 1.108 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.055 6.012 -1.357 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.501 6.043 -0.206 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.600 4.825 -1.461 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.348 7.683 -1.848 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.243 7.074 -2.260 1.00 15.00 H new ATOM 114 N MET A 485 -2.341 3.859 -2.538 1.00 15.00 N ATOM 115 CA MET A 485 -2.840 2.602 -3.077 1.00 15.00 C ATOM 116 C MET A 485 -2.102 2.266 -4.362 1.00 15.00 C ATOM 117 O MET A 485 -2.308 2.906 -5.392 1.00 15.00 O ATOM 118 CB MET A 485 -4.348 2.706 -3.323 1.00 15.00 C ATOM 119 CG MET A 485 -4.991 1.419 -3.802 1.00 15.00 C ATOM 120 SD MET A 485 -6.776 1.579 -4.013 1.00 15.00 S ATOM 121 CE MET A 485 -6.858 2.892 -5.232 1.00 15.00 C ATOM 0 H MET A 485 -2.534 4.673 -3.121 1.00 15.00 H new ATOM 0 HA MET A 485 -2.664 1.801 -2.359 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.834 3.020 -2.399 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.531 3.487 -4.061 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.541 1.122 -4.749 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.782 0.624 -3.087 1.00 15.00 H new ATOM 0 HE1 MET A 485 -7.594 2.636 -5.994 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.149 3.823 -4.745 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.881 3.016 -5.699 1.00 15.00 H new ATOM 131 N ARG A 486 -1.224 1.281 -4.292 1.00 15.00 N ATOM 132 CA ARG A 486 -0.340 0.977 -5.406 1.00 15.00 C ATOM 133 C ARG A 486 -0.481 -0.466 -5.843 1.00 15.00 C ATOM 134 O ARG A 486 -0.766 -1.348 -5.030 1.00 15.00 O ATOM 135 CB ARG A 486 1.108 1.256 -5.014 1.00 15.00 C ATOM 136 CG ARG A 486 1.345 2.683 -4.565 1.00 15.00 C ATOM 137 CD ARG A 486 0.966 3.669 -5.651 1.00 15.00 C ATOM 138 NE ARG A 486 1.758 3.475 -6.859 1.00 15.00 N ATOM 139 CZ ARG A 486 1.525 4.098 -8.004 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.525 4.969 -8.108 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.303 3.852 -9.045 1.00 15.00 N ATOM 0 H ARG A 486 -1.103 0.679 -3.478 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.623 1.616 -6.243 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.396 0.578 -4.211 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.755 1.038 -5.864 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.762 2.886 -3.666 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.394 2.814 -4.301 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.092 3.559 -5.889 1.00 15.00 H new ATOM 0 HD3 ARG A 486 1.106 4.686 -5.284 1.00 15.00 H new ATOM 0 HE ARG A 486 2.539 2.820 -6.820 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.070 5.162 -7.302 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.353 5.444 -8.994 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.073 3.188 -8.961 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.133 4.326 -9.932 1.00 15.00 H new ATOM 155 N ILE A 487 -0.252 -0.706 -7.124 1.00 15.00 N ATOM 156 CA ILE A 487 -0.363 -2.045 -7.672 1.00 15.00 C ATOM 157 C ILE A 487 0.968 -2.517 -8.240 1.00 15.00 C ATOM 158 O ILE A 487 1.630 -1.787 -8.980 1.00 15.00 O ATOM 159 CB ILE A 487 -1.448 -2.124 -8.768 1.00 15.00 C ATOM 160 CG1 ILE A 487 -2.821 -1.787 -8.178 1.00 15.00 C ATOM 161 CG2 ILE A 487 -1.469 -3.506 -9.413 1.00 15.00 C ATOM 162 CD1 ILE A 487 -3.957 -1.940 -9.164 1.00 15.00 C ATOM 0 H ILE A 487 0.012 0.009 -7.802 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.652 -2.700 -6.850 1.00 15.00 H new ATOM 0 HB ILE A 487 -1.209 -1.394 -9.541 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -3.007 -2.432 -7.319 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.807 -0.762 -7.809 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.241 -3.537 -10.182 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -0.499 -3.711 -9.865 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.682 -4.259 -8.654 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -4.898 -1.685 -8.677 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.795 -1.274 -10.012 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.998 -2.971 -9.515 1.00 15.00 H new ATOM 174 N ALA A 488 1.358 -3.740 -7.888 1.00 15.00 N ATOM 175 CA ALA A 488 2.529 -4.353 -8.477 1.00 15.00 C ATOM 176 C ALA A 488 2.102 -5.123 -9.725 1.00 15.00 C ATOM 177 O ALA A 488 1.117 -5.862 -9.680 1.00 15.00 O ATOM 178 CB ALA A 488 3.243 -5.242 -7.476 1.00 15.00 C ATOM 0 H ALA A 488 0.877 -4.318 -7.199 1.00 15.00 H new ATOM 0 HA ALA A 488 3.244 -3.582 -8.766 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.119 -5.689 -7.946 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.556 -4.646 -6.619 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.568 -6.030 -7.143 1.00 15.00 H new ATOM 184 N PRO A 489 2.866 -4.976 -10.830 1.00 15.00 N ATOM 185 CA PRO A 489 2.495 -5.350 -12.201 1.00 15.00 C ATOM 186 C PRO A 489 1.307 -6.316 -12.366 1.00 15.00 C ATOM 187 O PRO A 489 0.240 -5.899 -12.811 1.00 15.00 O ATOM 188 CB PRO A 489 3.797 -5.961 -12.700 1.00 15.00 C ATOM 189 CG PRO A 489 4.873 -5.159 -12.024 1.00 15.00 C ATOM 190 CD PRO A 489 4.238 -4.453 -10.838 1.00 15.00 C ATOM 0 HA PRO A 489 2.121 -4.489 -12.755 1.00 15.00 H new ATOM 0 HB2 PRO A 489 3.866 -7.017 -12.439 1.00 15.00 H new ATOM 0 HB3 PRO A 489 3.876 -5.896 -13.785 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.685 -5.807 -11.695 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.304 -4.435 -12.716 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.760 -4.679 -9.908 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.255 -3.370 -10.958 1.00 15.00 H new ATOM 198 N ASN A 490 1.467 -7.585 -11.985 1.00 15.00 N ATOM 199 CA ASN A 490 0.452 -8.601 -12.300 1.00 15.00 C ATOM 200 C ASN A 490 -0.796 -8.512 -11.413 1.00 15.00 C ATOM 201 O ASN A 490 -1.632 -9.416 -11.440 1.00 15.00 O ATOM 202 CB ASN A 490 1.044 -10.016 -12.225 1.00 15.00 C ATOM 203 CG ASN A 490 1.348 -10.481 -10.812 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.446 -10.273 -10.307 1.00 15.00 O ATOM 205 ND2 ASN A 490 0.384 -11.122 -10.169 1.00 15.00 N ATOM 0 H ASN A 490 2.274 -7.933 -11.467 1.00 15.00 H new ATOM 0 HA ASN A 490 0.134 -8.392 -13.321 1.00 15.00 H new ATOM 0 HB2 ASN A 490 0.347 -10.716 -12.685 1.00 15.00 H new ATOM 0 HB3 ASN A 490 1.961 -10.047 -12.813 1.00 15.00 H new ATOM 0 HD21 ASN A 490 0.542 -11.462 -9.220 1.00 15.00 H new ATOM 0 HD22 ASN A 490 -0.517 -11.276 -10.622 1.00 15.00 H new ATOM 212 N GLY A 491 -0.960 -7.428 -10.663 1.00 15.00 N ATOM 213 CA GLY A 491 -2.187 -7.266 -9.905 1.00 15.00 C ATOM 214 C GLY A 491 -2.015 -7.319 -8.398 1.00 15.00 C ATOM 215 O GLY A 491 -2.866 -7.868 -7.704 1.00 15.00 O ATOM 0 H GLY A 491 -0.281 -6.673 -10.566 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -2.639 -6.311 -10.172 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -2.888 -8.045 -10.204 1.00 15.00 H new ATOM 219 N ARG A 492 -0.916 -6.782 -7.884 1.00 15.00 N ATOM 220 CA ARG A 492 -0.735 -6.686 -6.434 1.00 15.00 C ATOM 221 C ARG A 492 -1.296 -5.370 -5.915 1.00 15.00 C ATOM 222 O ARG A 492 -0.680 -4.335 -6.118 1.00 15.00 O ATOM 223 CB ARG A 492 0.737 -6.705 -6.033 1.00 15.00 C ATOM 224 CG ARG A 492 1.476 -8.016 -6.192 1.00 15.00 C ATOM 225 CD ARG A 492 1.943 -8.274 -7.610 1.00 15.00 C ATOM 226 NE ARG A 492 3.357 -8.637 -7.594 1.00 15.00 N ATOM 227 CZ ARG A 492 4.216 -8.438 -8.588 1.00 15.00 C ATOM 228 NH1 ARG A 492 3.823 -7.878 -9.721 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 5.485 -8.788 -8.433 1.00 15.00 N ATOM 0 H ARG A 492 -0.144 -6.410 -8.437 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.252 -7.547 -6.011 1.00 15.00 H new ATOM 0 HB2 ARG A 492 1.258 -5.949 -6.621 1.00 15.00 H new ATOM 0 HB3 ARG A 492 0.807 -6.401 -4.989 1.00 15.00 H new ATOM 0 HG2 ARG A 492 2.339 -8.021 -5.526 1.00 15.00 H new ATOM 0 HG3 ARG A 492 0.826 -8.832 -5.877 1.00 15.00 H new ATOM 0 HD2 ARG A 492 1.355 -9.075 -8.059 1.00 15.00 H new ATOM 0 HD3 ARG A 492 1.791 -7.385 -8.223 1.00 15.00 H new ATOM 0 HE ARG A 492 3.716 -9.081 -6.749 1.00 15.00 H new ATOM 0 HH11 ARG A 492 2.851 -7.594 -9.839 1.00 15.00 H new ATOM 0 HH12 ARG A 492 4.493 -7.731 -10.476 1.00 15.00 H new ATOM 0 HH21 ARG A 492 5.795 -9.206 -7.556 1.00 15.00 H new ATOM 0 HH22 ARG A 492 6.151 -8.639 -9.191 1.00 15.00 H new ATOM 243 N PRO A 493 -2.452 -5.369 -5.252 1.00 15.00 N ATOM 244 CA PRO A 493 -3.006 -4.164 -4.669 1.00 15.00 C ATOM 245 C PRO A 493 -2.572 -3.986 -3.217 1.00 15.00 C ATOM 246 O PRO A 493 -3.053 -4.692 -2.329 1.00 15.00 O ATOM 247 CB PRO A 493 -4.517 -4.397 -4.765 1.00 15.00 C ATOM 248 CG PRO A 493 -4.702 -5.884 -4.928 1.00 15.00 C ATOM 249 CD PRO A 493 -3.329 -6.514 -5.012 1.00 15.00 C ATOM 0 HA PRO A 493 -2.673 -3.259 -5.177 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -5.024 -4.037 -3.870 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.942 -3.857 -5.611 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.260 -6.294 -4.086 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.278 -6.101 -5.828 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.068 -7.036 -4.091 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.269 -7.244 -5.820 1.00 15.00 H new ATOM 257 N PHE A 494 -1.631 -3.082 -2.975 1.00 15.00 N ATOM 258 CA PHE A 494 -1.153 -2.859 -1.621 1.00 15.00 C ATOM 259 C PHE A 494 -1.360 -1.411 -1.190 1.00 15.00 C ATOM 260 O PHE A 494 -1.167 -0.471 -1.968 1.00 15.00 O ATOM 261 CB PHE A 494 0.315 -3.303 -1.455 1.00 15.00 C ATOM 262 CG PHE A 494 1.337 -2.640 -2.353 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.730 -1.325 -2.142 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.939 -3.351 -3.380 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.699 -0.733 -2.933 1.00 15.00 C ATOM 266 CE2 PHE A 494 2.902 -2.768 -4.175 1.00 15.00 C ATOM 267 CZ PHE A 494 3.286 -1.457 -3.953 1.00 15.00 C ATOM 0 H PHE A 494 -1.191 -2.500 -3.688 1.00 15.00 H new ATOM 0 HA PHE A 494 -1.751 -3.483 -0.956 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.608 -3.127 -0.420 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.365 -4.379 -1.621 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.272 -0.755 -1.347 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.649 -4.376 -3.559 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.995 0.290 -2.754 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.358 -3.335 -4.973 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.042 -1.001 -4.575 1.00 15.00 H new ATOM 277 N PHE A 495 -1.765 -1.252 0.060 1.00 15.00 N ATOM 278 CA PHE A 495 -2.052 0.050 0.632 1.00 15.00 C ATOM 279 C PHE A 495 -0.959 0.433 1.627 1.00 15.00 C ATOM 280 O PHE A 495 -0.763 -0.236 2.636 1.00 15.00 O ATOM 281 CB PHE A 495 -3.411 0.020 1.341 1.00 15.00 C ATOM 282 CG PHE A 495 -4.472 -0.739 0.588 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.136 -0.164 -0.482 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.801 -2.036 0.955 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.106 -0.864 -1.172 1.00 15.00 C ATOM 286 CE2 PHE A 495 -5.768 -2.742 0.267 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.423 -2.155 -0.797 1.00 15.00 C ATOM 0 H PHE A 495 -1.904 -2.027 0.708 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.082 0.790 -0.168 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.287 -0.429 2.326 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.751 1.044 1.498 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.892 0.845 -0.781 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.295 -2.499 1.789 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.616 -0.402 -2.004 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.012 -3.752 0.561 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.182 -2.704 -1.335 1.00 15.00 H new ATOM 297 N ILE A 496 -0.245 1.498 1.330 1.00 15.00 N ATOM 298 CA ILE A 496 0.839 1.956 2.180 1.00 15.00 C ATOM 299 C ILE A 496 0.378 3.122 3.028 1.00 15.00 C ATOM 300 O ILE A 496 0.046 4.177 2.489 1.00 15.00 O ATOM 301 CB ILE A 496 2.069 2.449 1.375 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.403 1.518 0.209 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.275 2.593 2.291 1.00 15.00 C ATOM 304 CD1 ILE A 496 1.610 1.813 -1.044 1.00 15.00 C ATOM 0 H ILE A 496 -0.396 2.069 0.499 1.00 15.00 H new ATOM 0 HA ILE A 496 1.126 1.096 2.786 1.00 15.00 H new ATOM 0 HB ILE A 496 1.814 3.422 0.955 1.00 15.00 H new ATOM 0 HG12 ILE A 496 3.466 1.598 -0.016 1.00 15.00 H new ATOM 0 HG13 ILE A 496 2.218 0.488 0.513 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.132 2.940 1.713 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.051 3.315 3.077 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.508 1.628 2.741 1.00 15.00 H new ATOM 0 HD11 ILE A 496 1.898 1.115 -1.830 1.00 15.00 H new ATOM 0 HD12 ILE A 496 0.546 1.705 -0.835 1.00 15.00 H new ATOM 0 HD13 ILE A 496 1.814 2.832 -1.372 1.00 15.00 H new ATOM 316 N ASP A 497 0.366 2.963 4.338 1.00 15.00 N ATOM 317 CA ASP A 497 0.167 4.120 5.179 1.00 15.00 C ATOM 318 C ASP A 497 1.531 4.705 5.485 1.00 15.00 C ATOM 319 O ASP A 497 2.426 4.046 6.016 1.00 15.00 O ATOM 320 CB ASP A 497 -0.627 3.826 6.458 1.00 15.00 C ATOM 321 CG ASP A 497 0.198 3.263 7.596 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.840 4.059 8.318 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.189 2.034 7.791 1.00 15.00 O1- ATOM 0 H ASP A 497 0.487 2.076 4.827 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.450 4.840 4.641 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.104 4.747 6.793 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.424 3.121 6.221 1.00 15.00 H new ATOM 328 N HIS A 498 1.693 5.936 5.074 1.00 15.00 N ATOM 329 CA HIS A 498 2.991 6.585 5.089 1.00 15.00 C ATOM 330 C HIS A 498 3.365 7.104 6.470 1.00 15.00 C ATOM 331 O HIS A 498 4.500 7.524 6.688 1.00 15.00 O ATOM 332 CB HIS A 498 3.044 7.692 4.035 1.00 15.00 C ATOM 333 CG HIS A 498 3.068 7.166 2.632 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.239 6.925 1.946 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.063 6.802 1.792 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.958 6.436 0.753 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.647 6.353 0.633 1.00 15.00 N ATOM 0 H HIS A 498 0.936 6.520 4.720 1.00 15.00 H new ATOM 0 HA HIS A 498 3.738 5.833 4.836 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.179 8.344 4.158 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.931 8.303 4.203 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.178 7.098 2.305 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.004 6.856 1.998 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.680 6.152 0.002 1.00 15.00 H new ATOM 346 N ASN A 499 2.417 7.087 7.402 1.00 15.00 N ATOM 347 CA ASN A 499 2.695 7.588 8.742 1.00 15.00 C ATOM 348 C ASN A 499 3.456 6.551 9.571 1.00 15.00 C ATOM 349 O ASN A 499 4.471 6.880 10.185 1.00 15.00 O ATOM 350 CB ASN A 499 1.415 8.051 9.461 1.00 15.00 C ATOM 351 CG ASN A 499 0.347 6.979 9.575 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.323 6.207 10.531 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.565 6.944 8.614 1.00 15.00 N ATOM 0 H ASN A 499 1.469 6.739 7.259 1.00 15.00 H new ATOM 0 HA ASN A 499 3.334 8.465 8.633 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.677 8.395 10.461 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.001 8.907 8.928 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.320 6.260 8.652 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.512 7.602 7.836 1.00 15.00 H new ATOM 360 N THR A 500 2.977 5.307 9.616 1.00 15.00 N ATOM 361 CA THR A 500 3.742 4.240 10.252 1.00 15.00 C ATOM 362 C THR A 500 4.816 3.720 9.300 1.00 15.00 C ATOM 363 O THR A 500 5.803 3.112 9.731 1.00 15.00 O ATOM 364 CB THR A 500 2.859 3.065 10.728 1.00 15.00 C ATOM 365 OG1 THR A 500 2.294 2.372 9.612 1.00 15.00 O ATOM 366 CG2 THR A 500 1.749 3.554 11.644 1.00 15.00 C ATOM 0 H THR A 500 2.079 5.019 9.227 1.00 15.00 H new ATOM 0 HA THR A 500 4.204 4.676 11.138 1.00 15.00 H new ATOM 0 HB THR A 500 3.495 2.378 11.286 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.081 3.014 8.903 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.142 2.707 11.965 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.185 4.039 12.517 1.00 15.00 H new ATOM 0 HG23 THR A 500 1.122 4.267 11.108 1.00 15.00 H new ATOM 374 N LYS A 501 4.591 3.964 8.002 1.00 15.00 N ATOM 375 CA LYS A 501 5.480 3.511 6.931 1.00 15.00 C ATOM 376 C LYS A 501 5.390 1.991 6.775 1.00 15.00 C ATOM 377 O LYS A 501 6.398 1.285 6.747 1.00 15.00 O ATOM 378 CB LYS A 501 6.927 3.961 7.188 1.00 15.00 C ATOM 379 CG LYS A 501 7.870 3.714 6.015 1.00 15.00 C ATOM 380 CD LYS A 501 9.288 4.151 6.337 1.00 15.00 C ATOM 381 CE LYS A 501 9.384 5.657 6.502 1.00 15.00 C ATOM 382 NZ LYS A 501 10.735 6.080 6.949 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.781 4.485 7.666 1.00 15.00 H new ATOM 0 HA LYS A 501 5.157 3.969 5.996 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.929 5.025 7.425 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.309 3.438 8.065 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.864 2.654 5.760 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.512 4.255 5.139 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.621 3.662 7.252 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.959 3.828 5.541 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.147 6.142 5.555 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.641 5.991 7.226 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.759 7.115 7.050 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.952 5.638 7.865 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.442 5.784 6.246 1.00 15.00 H new ATOM 396 N THR A 502 4.167 1.492 6.676 1.00 15.00 N ATOM 397 CA THR A 502 3.942 0.061 6.521 1.00 15.00 C ATOM 398 C THR A 502 2.997 -0.214 5.357 1.00 15.00 C ATOM 399 O THR A 502 2.151 0.616 5.020 1.00 15.00 O ATOM 400 CB THR A 502 3.380 -0.590 7.804 1.00 15.00 C ATOM 401 OG1 THR A 502 2.144 0.024 8.185 1.00 15.00 O ATOM 402 CG2 THR A 502 4.373 -0.488 8.950 1.00 15.00 C ATOM 0 H THR A 502 3.316 2.054 6.700 1.00 15.00 H new ATOM 0 HA THR A 502 4.915 -0.385 6.317 1.00 15.00 H new ATOM 0 HB THR A 502 3.203 -1.643 7.586 1.00 15.00 H new ATOM 0 HG1 THR A 502 2.326 0.802 8.753 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.951 -0.954 9.840 1.00 15.00 H new ATOM 0 HG22 THR A 502 5.297 -0.998 8.677 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.584 0.561 9.156 1.00 15.00 H new ATOM 410 N THR A 503 3.171 -1.363 4.729 1.00 15.00 N ATOM 411 CA THR A 503 2.347 -1.748 3.599 1.00 15.00 C ATOM 412 C THR A 503 1.374 -2.858 3.997 1.00 15.00 C ATOM 413 O THR A 503 1.792 -3.926 4.441 1.00 15.00 O ATOM 414 CB THR A 503 3.235 -2.218 2.433 1.00 15.00 C ATOM 415 OG1 THR A 503 4.281 -1.263 2.214 1.00 15.00 O ATOM 416 CG2 THR A 503 2.426 -2.390 1.160 1.00 15.00 C ATOM 0 H THR A 503 3.881 -2.049 4.985 1.00 15.00 H new ATOM 0 HA THR A 503 1.771 -0.880 3.280 1.00 15.00 H new ATOM 0 HB THR A 503 3.663 -3.185 2.696 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.848 -1.563 1.473 1.00 15.00 H new ATOM 0 HG21 THR A 503 3.081 -2.723 0.355 1.00 15.00 H new ATOM 0 HG22 THR A 503 1.645 -3.133 1.323 1.00 15.00 H new ATOM 0 HG23 THR A 503 1.970 -1.438 0.887 1.00 15.00 H new ATOM 424 N THR A 504 0.084 -2.597 3.857 1.00 15.00 N ATOM 425 CA THR A 504 -0.935 -3.564 4.228 1.00 15.00 C ATOM 426 C THR A 504 -1.584 -4.184 2.995 1.00 15.00 C ATOM 427 O THR A 504 -1.671 -3.554 1.937 1.00 15.00 O ATOM 428 CB THR A 504 -2.033 -2.914 5.100 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.676 -1.855 4.380 1.00 15.00 O ATOM 430 CG2 THR A 504 -1.453 -2.357 6.388 1.00 15.00 C ATOM 0 H THR A 504 -0.282 -1.720 3.488 1.00 15.00 H new ATOM 0 HA THR A 504 -0.436 -4.345 4.802 1.00 15.00 H new ATOM 0 HB THR A 504 -2.760 -3.688 5.347 1.00 15.00 H new ATOM 0 HG1 THR A 504 -3.612 -2.093 4.216 1.00 15.00 H new ATOM 0 HG21 THR A 504 -2.249 -1.906 6.980 1.00 15.00 H new ATOM 0 HG22 THR A 504 -0.989 -3.163 6.957 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.704 -1.601 6.153 1.00 15.00 H new ATOM 438 N TRP A 505 -2.026 -5.425 3.135 1.00 15.00 N ATOM 439 CA TRP A 505 -2.798 -6.083 2.093 1.00 15.00 C ATOM 440 C TRP A 505 -4.283 -5.946 2.390 1.00 15.00 C ATOM 441 O TRP A 505 -5.133 -6.283 1.563 1.00 15.00 O ATOM 442 CB TRP A 505 -2.439 -7.567 1.982 1.00 15.00 C ATOM 443 CG TRP A 505 -1.072 -7.828 1.428 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.007 -8.365 2.090 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.626 -7.568 0.092 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.071 -8.462 1.244 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.716 -7.977 0.013 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.235 -7.033 -1.048 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.463 -7.865 -1.157 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.492 -6.923 -2.209 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.843 -7.339 -2.256 1.00 15.00 C ATOM 0 H TRP A 505 -1.862 -5.998 3.963 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.559 -5.601 1.145 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.511 -8.022 2.970 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.176 -8.061 1.349 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.011 -8.669 3.126 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.987 -8.835 1.492 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.266 -6.712 -1.022 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.495 -8.182 -1.195 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.950 -6.509 -3.095 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.395 -7.243 -3.179 1.00 15.00 H new ATOM 462 N GLU A 506 -4.587 -5.469 3.588 1.00 15.00 N ATOM 463 CA GLU A 506 -5.964 -5.306 4.021 1.00 15.00 C ATOM 464 C GLU A 506 -6.427 -3.891 3.817 1.00 15.00 C ATOM 465 O GLU A 506 -5.696 -2.928 4.071 1.00 15.00 O ATOM 466 CB GLU A 506 -6.120 -5.719 5.491 1.00 15.00 C ATOM 467 CG GLU A 506 -7.543 -5.592 6.020 1.00 15.00 C ATOM 468 CD GLU A 506 -8.530 -6.481 5.287 1.00 15.00 C ATOM 469 OE1 GLU A 506 -8.809 -6.220 4.097 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -9.028 -7.451 5.899 1.00 15.00 O ATOM 0 H GLU A 506 -3.893 -5.187 4.280 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.590 -5.958 3.412 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -5.791 -6.752 5.605 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -5.459 -5.105 6.103 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -7.554 -5.844 7.081 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -7.865 -4.554 5.935 1.00 15.00 H new ATOM 477 N ASP A 507 -7.663 -3.786 3.377 1.00 15.00 N ATOM 478 CA ASP A 507 -8.247 -2.515 3.061 1.00 15.00 C ATOM 479 C ASP A 507 -8.783 -1.873 4.338 1.00 15.00 C ATOM 480 O ASP A 507 -9.468 -2.533 5.121 1.00 15.00 O ATOM 481 CB ASP A 507 -9.370 -2.693 2.033 1.00 15.00 C ATOM 482 CG ASP A 507 -9.841 -1.384 1.423 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.487 -0.583 2.131 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -9.583 -1.161 0.220 1.00 15.00 O ATOM 0 H ASP A 507 -8.284 -4.582 3.231 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.489 -1.863 2.628 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -9.023 -3.352 1.237 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -10.215 -3.188 2.511 1.00 15.00 H new ATOM 489 N PRO A 508 -8.498 -0.586 4.569 1.00 15.00 N ATOM 490 CA PRO A 508 -8.916 0.107 5.793 1.00 15.00 C ATOM 491 C PRO A 508 -10.416 0.430 5.832 1.00 15.00 C ATOM 492 O PRO A 508 -10.841 1.314 6.578 1.00 15.00 O ATOM 493 CB PRO A 508 -8.092 1.394 5.765 1.00 15.00 C ATOM 494 CG PRO A 508 -7.813 1.645 4.325 1.00 15.00 C ATOM 495 CD PRO A 508 -7.736 0.294 3.663 1.00 15.00 C ATOM 0 HA PRO A 508 -8.752 -0.512 6.675 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -8.641 2.223 6.210 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -7.168 1.283 6.332 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -8.600 2.252 3.877 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.878 2.192 4.200 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -8.171 0.313 2.664 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.704 -0.040 3.555 1.00 15.00 H new ATOM 503 N ARG A 509 -11.213 -0.296 5.046 1.00 15.00 N ATOM 504 CA ARG A 509 -12.663 -0.124 5.058 1.00 15.00 C ATOM 505 C ARG A 509 -13.250 -0.428 6.434 1.00 15.00 C ATOM 506 O ARG A 509 -12.898 -1.468 7.023 1.00 15.00 O ATOM 507 CB ARG A 509 -13.357 -0.957 3.957 1.00 15.00 C ATOM 508 CG ARG A 509 -12.685 -2.279 3.579 1.00 15.00 C ATOM 509 CD ARG A 509 -13.103 -3.451 4.462 1.00 15.00 C ATOM 510 NE ARG A 509 -12.303 -3.543 5.678 1.00 15.00 N ATOM 511 CZ ARG A 509 -11.691 -4.653 6.094 1.00 15.00 C ATOM 512 NH1 ARG A 509 -11.860 -5.801 5.445 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -10.931 -4.615 7.182 1.00 15.00 N ATOM 0 H ARG A 509 -10.878 -1.006 4.395 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.858 0.925 4.837 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -14.375 -1.172 4.282 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -13.432 -0.343 3.060 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -12.922 -2.514 2.541 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -11.603 -2.157 3.639 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -14.154 -3.344 4.729 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -13.010 -4.379 3.898 1.00 15.00 H new ATOM 0 HE ARG A 509 -12.205 -2.703 6.248 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -12.461 -5.838 4.622 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -11.388 -6.645 5.770 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.818 -3.741 7.695 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -10.460 -5.460 7.505 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -1.075 -18.476 0.711 1.00 15.00 N ATOM 529 CA ARG B 925 -0.153 -17.578 1.444 1.00 15.00 C ATOM 530 C ARG B 925 0.186 -16.361 0.596 1.00 15.00 C ATOM 531 O ARG B 925 0.732 -16.492 -0.498 1.00 15.00 O ATOM 532 CB ARG B 925 1.137 -18.312 1.811 1.00 15.00 C ATOM 533 CG ARG B 925 2.054 -17.509 2.723 1.00 15.00 C ATOM 534 CD ARG B 925 3.425 -18.154 2.840 1.00 15.00 C ATOM 535 NE ARG B 925 4.172 -18.084 1.583 1.00 15.00 N ATOM 536 CZ ARG B 925 4.598 -19.149 0.906 1.00 15.00 C ATOM 537 NH1 ARG B 925 4.309 -20.376 1.328 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 5.305 -18.990 -0.205 1.00 15.00 N ATOM 0 HA ARG B 925 -0.653 -17.256 2.358 1.00 15.00 H new ATOM 0 HB2 ARG B 925 0.884 -19.253 2.300 1.00 15.00 H new ATOM 0 HB3 ARG B 925 1.676 -18.563 0.897 1.00 15.00 H new ATOM 0 HG2 ARG B 925 2.159 -16.496 2.335 1.00 15.00 H new ATOM 0 HG3 ARG B 925 1.604 -17.426 3.712 1.00 15.00 H new ATOM 0 HD2 ARG B 925 3.993 -17.659 3.627 1.00 15.00 H new ATOM 0 HD3 ARG B 925 3.311 -19.197 3.137 1.00 15.00 H new ATOM 0 HE ARG B 925 4.379 -17.161 1.201 1.00 15.00 H new ATOM 0 HH11 ARG B 925 3.757 -20.507 2.176 1.00 15.00 H new ATOM 0 HH12 ARG B 925 4.639 -21.186 0.804 1.00 15.00 H new ATOM 0 HH21 ARG B 925 5.523 -18.052 -0.541 1.00 15.00 H new ATOM 0 HH22 ARG B 925 5.631 -19.806 -0.723 1.00 15.00 H new ATOM 554 N LEU B 926 -0.142 -15.184 1.100 1.00 15.00 N ATOM 555 CA LEU B 926 0.213 -13.949 0.422 1.00 15.00 C ATOM 556 C LEU B 926 1.384 -13.286 1.143 1.00 15.00 C ATOM 557 O LEU B 926 1.291 -12.959 2.326 1.00 15.00 O ATOM 558 CB LEU B 926 -0.997 -13.010 0.365 1.00 15.00 C ATOM 559 CG LEU B 926 -0.785 -11.709 -0.413 1.00 15.00 C ATOM 560 CD1 LEU B 926 -0.351 -11.999 -1.843 1.00 15.00 C ATOM 561 CD2 LEU B 926 -2.059 -10.882 -0.407 1.00 15.00 C ATOM 0 H LEU B 926 -0.652 -15.057 1.974 1.00 15.00 H new ATOM 0 HA LEU B 926 0.516 -14.172 -0.601 1.00 15.00 H new ATOM 0 HB2 LEU B 926 -1.832 -13.549 -0.083 1.00 15.00 H new ATOM 0 HB3 LEU B 926 -1.289 -12.760 1.385 1.00 15.00 H new ATOM 0 HG LEU B 926 0.007 -11.141 0.076 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -0.206 -11.060 -2.377 1.00 15.00 H new ATOM 0 HD12 LEU B 926 0.584 -12.559 -1.833 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -1.120 -12.587 -2.345 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -1.896 -9.959 -0.963 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -2.864 -11.450 -0.874 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -2.333 -10.643 0.621 1.00 15.00 H new ATOM 573 N ASP B 927 2.485 -13.105 0.429 1.00 15.00 N ATOM 574 CA ASP B 927 3.699 -12.559 1.022 1.00 15.00 C ATOM 575 C ASP B 927 3.836 -11.072 0.733 1.00 15.00 C ATOM 576 O ASP B 927 3.740 -10.638 -0.415 1.00 15.00 O ATOM 577 CB ASP B 927 4.939 -13.302 0.509 1.00 15.00 C ATOM 578 CG ASP B 927 5.101 -14.676 1.128 1.00 15.00 C ATOM 579 OD1 ASP B 927 5.589 -14.758 2.274 1.00 15.00 O1- ATOM 580 OD2 ASP B 927 4.756 -15.680 0.467 1.00 15.00 O ATOM 0 H ASP B 927 2.564 -13.328 -0.563 1.00 15.00 H new ATOM 0 HA ASP B 927 3.623 -12.696 2.101 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.874 -13.402 -0.574 1.00 15.00 H new ATOM 0 HB3 ASP B 927 5.827 -12.706 0.721 1.00 15.00 H new ATOM 585 N LEU B 928 4.063 -10.299 1.784 1.00 15.00 N ATOM 586 CA LEU B 928 4.297 -8.867 1.658 1.00 15.00 C ATOM 587 C LEU B 928 5.736 -8.601 1.228 1.00 15.00 C ATOM 588 O LEU B 928 6.673 -9.050 1.890 1.00 15.00 O ATOM 589 CB LEU B 928 4.026 -8.178 2.998 1.00 15.00 C ATOM 590 CG LEU B 928 4.265 -6.666 3.019 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.253 -5.945 2.142 1.00 15.00 C ATOM 592 CD2 LEU B 928 4.211 -6.140 4.446 1.00 15.00 C ATOM 0 H LEU B 928 4.090 -10.643 2.744 1.00 15.00 H new ATOM 0 HA LEU B 928 3.622 -8.467 0.901 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.991 -8.369 3.283 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.656 -8.639 3.758 1.00 15.00 H new ATOM 0 HG LEU B 928 5.259 -6.471 2.616 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.443 -4.872 2.173 1.00 15.00 H new ATOM 0 HD12 LEU B 928 3.343 -6.300 1.115 1.00 15.00 H new ATOM 0 HD13 LEU B 928 2.246 -6.146 2.508 1.00 15.00 H new ATOM 0 HD21 LEU B 928 4.383 -5.064 4.444 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.231 -6.350 4.874 1.00 15.00 H new ATOM 0 HD23 LEU B 928 4.980 -6.629 5.043 1.00 15.00 H new ATOM 604 N PRO B 929 5.938 -7.876 0.117 1.00 15.00 N ATOM 605 CA PRO B 929 7.277 -7.528 -0.341 1.00 15.00 C ATOM 606 C PRO B 929 7.880 -6.398 0.489 1.00 15.00 C ATOM 607 O PRO B 929 7.185 -5.437 0.832 1.00 15.00 O ATOM 608 CB PRO B 929 7.051 -7.073 -1.783 1.00 15.00 C ATOM 609 CG PRO B 929 5.654 -6.560 -1.814 1.00 15.00 C ATOM 610 CD PRO B 929 4.887 -7.338 -0.777 1.00 15.00 C ATOM 0 HA PRO B 929 7.976 -8.360 -0.252 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.762 -6.297 -2.068 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.183 -7.899 -2.482 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.628 -5.493 -1.595 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.214 -6.693 -2.802 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.190 -6.700 -0.234 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.301 -8.137 -1.230 1.00 15.00 H new ATOM 618 N PRO B 930 9.177 -6.506 0.829 1.00 15.00 N ATOM 619 CA PRO B 930 9.903 -5.460 1.555 1.00 15.00 C ATOM 620 C PRO B 930 9.692 -4.095 0.911 1.00 15.00 C ATOM 621 O PRO B 930 9.833 -3.944 -0.302 1.00 15.00 O ATOM 622 CB PRO B 930 11.377 -5.889 1.452 1.00 15.00 C ATOM 623 CG PRO B 930 11.402 -7.029 0.484 1.00 15.00 C ATOM 624 CD PRO B 930 10.038 -7.652 0.532 1.00 15.00 C ATOM 0 HA PRO B 930 9.564 -5.359 2.586 1.00 15.00 H new ATOM 0 HB2 PRO B 930 12.001 -5.066 1.103 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.765 -6.193 2.424 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.635 -6.680 -0.522 1.00 15.00 H new ATOM 0 HG3 PRO B 930 12.170 -7.753 0.756 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.774 -8.124 -0.414 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.970 -8.421 1.301 1.00 15.00 H new ATOM 632 N TYR B 931 9.341 -3.108 1.719 1.00 15.00 N ATOM 633 CA TYR B 931 8.958 -1.813 1.189 1.00 15.00 C ATOM 634 C TYR B 931 10.180 -0.952 0.884 1.00 15.00 C ATOM 635 O TYR B 931 10.980 -0.636 1.768 1.00 15.00 O ATOM 636 CB TYR B 931 8.031 -1.108 2.196 1.00 15.00 C ATOM 637 CG TYR B 931 7.618 0.308 1.827 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.016 0.599 0.605 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.820 1.358 2.719 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.635 1.889 0.286 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.439 2.647 2.406 1.00 15.00 C ATOM 642 CZ TYR B 931 6.849 2.908 1.189 1.00 15.00 C ATOM 643 OH TYR B 931 6.471 4.195 0.877 1.00 15.00 O ATOM 0 H TYR B 931 9.314 -3.179 2.736 1.00 15.00 H new ATOM 0 HA TYR B 931 8.427 -1.962 0.249 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.131 -1.710 2.317 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.530 -1.081 3.165 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.844 -0.196 -0.105 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.284 1.160 3.674 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.172 2.097 -0.667 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.603 3.448 3.112 1.00 15.00 H new ATOM 0 HH TYR B 931 6.692 4.791 1.623 1.00 15.00 H new ATOM 653 N GLU B 932 10.299 -0.587 -0.383 1.00 15.00 N ATOM 654 CA GLU B 932 11.199 0.463 -0.820 1.00 15.00 C ATOM 655 C GLU B 932 10.332 1.636 -1.216 1.00 15.00 C ATOM 656 O GLU B 932 9.248 1.430 -1.763 1.00 15.00 O ATOM 657 CB GLU B 932 12.048 0.029 -2.024 1.00 15.00 C ATOM 658 CG GLU B 932 13.052 -1.077 -1.737 1.00 15.00 C ATOM 659 CD GLU B 932 12.480 -2.465 -1.927 1.00 15.00 C ATOM 660 OE1 GLU B 932 11.947 -2.749 -3.022 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 12.581 -3.286 -0.992 1.00 15.00 O ATOM 0 H GLU B 932 9.768 -1.016 -1.141 1.00 15.00 H new ATOM 0 HA GLU B 932 11.892 0.712 -0.016 1.00 15.00 H new ATOM 0 HB2 GLU B 932 11.381 -0.304 -2.819 1.00 15.00 H new ATOM 0 HB3 GLU B 932 12.586 0.898 -2.402 1.00 15.00 H new ATOM 0 HG2 GLU B 932 13.915 -0.954 -2.391 1.00 15.00 H new ATOM 0 HG3 GLU B 932 13.411 -0.976 -0.713 1.00 15.00 H new ATOM 668 N THR B 933 10.775 2.853 -0.971 1.00 15.00 N ATOM 669 CA THR B 933 9.917 3.982 -1.240 1.00 15.00 C ATOM 670 C THR B 933 9.696 4.150 -2.737 1.00 15.00 C ATOM 671 O THR B 933 10.631 4.334 -3.521 1.00 15.00 O ATOM 672 CB THR B 933 10.455 5.292 -0.641 1.00 15.00 C ATOM 673 OG1 THR B 933 10.869 5.072 0.715 1.00 15.00 O ATOM 674 CG2 THR B 933 9.371 6.367 -0.673 1.00 15.00 C ATOM 0 H THR B 933 11.697 3.079 -0.597 1.00 15.00 H new ATOM 0 HA THR B 933 8.965 3.767 -0.755 1.00 15.00 H new ATOM 0 HB THR B 933 11.308 5.625 -1.232 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.213 5.909 1.092 1.00 15.00 H new ATOM 0 HG21 THR B 933 9.762 7.291 -0.247 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.065 6.544 -1.704 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.511 6.034 -0.091 1.00 15.00 H new ATOM 682 N PHE B 934 8.437 4.059 -3.098 1.00 15.00 N ATOM 683 CA PHE B 934 7.952 4.317 -4.435 1.00 15.00 C ATOM 684 C PHE B 934 7.634 5.812 -4.533 1.00 15.00 C ATOM 685 O PHE B 934 7.891 6.548 -3.578 1.00 15.00 O ATOM 686 CB PHE B 934 6.733 3.441 -4.744 1.00 15.00 C ATOM 687 CG PHE B 934 5.509 3.878 -4.021 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.244 3.452 -2.731 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.642 4.756 -4.628 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.128 3.904 -2.072 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.537 5.217 -3.974 1.00 15.00 C ATOM 692 CZ PHE B 934 3.280 4.792 -2.698 1.00 15.00 C ATOM 0 H PHE B 934 7.697 3.795 -2.448 1.00 15.00 H new ATOM 0 HA PHE B 934 8.706 4.062 -5.180 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.541 3.459 -5.817 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.957 2.408 -4.478 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.917 2.763 -2.242 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.839 5.086 -5.638 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.916 3.566 -1.069 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.869 5.913 -4.460 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.406 5.155 -2.178 1.00 15.00 H new ATOM 702 N GLU B 935 7.141 6.267 -5.681 1.00 15.00 N ATOM 703 CA GLU B 935 6.986 7.699 -5.953 1.00 15.00 C ATOM 704 C GLU B 935 6.300 8.451 -4.808 1.00 15.00 C ATOM 705 O GLU B 935 5.343 7.968 -4.197 1.00 15.00 O ATOM 706 CB GLU B 935 6.148 7.903 -7.219 1.00 15.00 C ATOM 707 CG GLU B 935 4.794 7.192 -7.198 1.00 15.00 C ATOM 708 CD GLU B 935 4.816 5.917 -8.010 1.00 15.00 C ATOM 709 OE1 GLU B 935 5.380 4.907 -7.539 1.00 15.00 O ATOM 710 OE2 GLU B 935 4.277 5.922 -9.138 1.00 15.00 O1- ATOM 0 H GLU B 935 6.839 5.663 -6.445 1.00 15.00 H new ATOM 0 HA GLU B 935 7.993 8.099 -6.074 1.00 15.00 H new ATOM 0 HB2 GLU B 935 5.983 8.971 -7.363 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.718 7.550 -8.079 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.520 6.962 -6.168 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.027 7.860 -7.590 1.00 15.00 H new ATOM 717 N ASP B 936 6.821 9.647 -4.540 1.00 15.00 N ATOM 718 CA ASP B 936 6.294 10.537 -3.509 1.00 15.00 C ATOM 719 C ASP B 936 4.797 10.763 -3.682 1.00 15.00 C ATOM 720 O ASP B 936 4.330 11.078 -4.779 1.00 15.00 O ATOM 721 CB ASP B 936 7.034 11.877 -3.560 1.00 15.00 C ATOM 722 CG ASP B 936 6.337 12.971 -2.773 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.296 12.890 -1.527 1.00 15.00 O ATOM 724 OD2 ASP B 936 5.841 13.934 -3.401 1.00 15.00 O1- ATOM 0 H ASP B 936 7.627 10.028 -5.036 1.00 15.00 H new ATOM 0 HA ASP B 936 6.451 10.066 -2.539 1.00 15.00 H new ATOM 0 HB2 ASP B 936 8.043 11.743 -3.170 1.00 15.00 H new ATOM 0 HB3 ASP B 936 7.133 12.192 -4.599 1.00 15.00 H new ATOM 729 N LEU B 937 4.067 10.621 -2.581 1.00 15.00 N ATOM 730 CA LEU B 937 2.616 10.755 -2.576 1.00 15.00 C ATOM 731 C LEU B 937 2.211 12.150 -3.052 1.00 15.00 C ATOM 732 O LEU B 937 1.781 12.332 -4.191 1.00 15.00 O ATOM 733 CB LEU B 937 2.088 10.492 -1.158 1.00 15.00 C ATOM 734 CG LEU B 937 0.681 9.890 -1.053 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.331 9.629 0.403 1.00 15.00 C ATOM 736 CD2 LEU B 937 -0.361 10.796 -1.687 1.00 15.00 C ATOM 0 H LEU B 937 4.466 10.410 -1.666 1.00 15.00 H new ATOM 0 HA LEU B 937 2.181 10.026 -3.259 1.00 15.00 H new ATOM 0 HB2 LEU B 937 2.784 9.822 -0.653 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.098 11.434 -0.610 1.00 15.00 H new ATOM 0 HG LEU B 937 0.680 8.946 -1.598 1.00 15.00 H new ATOM 0 HD11 LEU B 937 -0.670 9.202 0.466 1.00 15.00 H new ATOM 0 HD12 LEU B 937 1.051 8.931 0.831 1.00 15.00 H new ATOM 0 HD13 LEU B 937 0.361 10.567 0.958 1.00 15.00 H new ATOM 0 HD21 LEU B 937 -1.346 10.338 -1.594 1.00 15.00 H new ATOM 0 HD22 LEU B 937 -0.360 11.761 -1.181 1.00 15.00 H new ATOM 0 HD23 LEU B 937 -0.125 10.939 -2.742 1.00 15.00 H new HETATM 748 N NH2 B 938 2.349 13.134 -2.176 1.00 15.00 N TER 751 NH2 B 938