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 Single : A 485 MET CE :methyl 162:sc= -2.83 (180deg=-4.08!) USER MOD Single : A 490 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.2) USER MOD Single : A 498 HIS : no HE2:sc= -0.765 K(o=-0.76,f=-1.6) USER MOD Single : A 499 ASN : amide:sc= -0.968 K(o=-0.97,f=-1.8) USER MOD Single : A 500 THR OG1 : rot 46:sc= 1.22 USER MOD Single : A 501 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0595) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 44:sc= 0.116 USER MOD Single : A 504 THR OG1 : rot 80:sc= 0.634 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 -11.776 7.789 -1.802 1.00 15.00 N ATOM 2 CA PHE A 478 -10.330 7.827 -2.113 1.00 15.00 C ATOM 3 C PHE A 478 -9.527 7.710 -0.828 1.00 15.00 C ATOM 4 O PHE A 478 -9.887 8.297 0.195 1.00 15.00 O ATOM 5 CB PHE A 478 -9.982 9.131 -2.841 1.00 15.00 C ATOM 6 CG PHE A 478 -8.549 9.225 -3.289 1.00 15.00 C ATOM 7 CD1 PHE A 478 -8.068 8.403 -4.294 1.00 15.00 C ATOM 8 CD2 PHE A 478 -7.685 10.144 -2.709 1.00 15.00 C ATOM 9 CE1 PHE A 478 -6.755 8.492 -4.712 1.00 15.00 C ATOM 10 CE2 PHE A 478 -6.371 10.236 -3.123 1.00 15.00 C ATOM 11 CZ PHE A 478 -5.904 9.408 -4.126 1.00 15.00 C ATOM 0 HA PHE A 478 -10.081 6.989 -2.764 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -10.630 9.232 -3.712 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.200 9.971 -2.182 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -8.728 7.684 -4.756 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -8.045 10.794 -1.925 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -6.394 7.845 -5.498 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.709 10.955 -2.663 1.00 15.00 H new ATOM 0 HZ PHE A 478 -4.876 9.477 -4.451 1.00 15.00 H new ATOM 21 N LEU A 479 -8.448 6.946 -0.890 1.00 15.00 N ATOM 22 CA LEU A 479 -7.572 6.740 0.255 1.00 15.00 C ATOM 23 C LEU A 479 -7.101 8.060 0.855 1.00 15.00 C ATOM 24 O LEU A 479 -6.778 9.002 0.130 1.00 15.00 O ATOM 25 CB LEU A 479 -6.359 5.909 -0.163 1.00 15.00 C ATOM 26 CG LEU A 479 -6.390 4.439 0.267 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.564 3.712 -0.370 1.00 15.00 C ATOM 28 CD2 LEU A 479 -5.090 3.747 -0.101 1.00 15.00 C ATOM 0 H LEU A 479 -8.154 6.452 -1.733 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.145 6.210 1.016 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -6.268 5.951 -1.248 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -5.463 6.372 0.250 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.510 4.410 1.350 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -7.564 2.670 -0.049 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -8.496 4.186 -0.063 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.475 3.757 -1.455 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -5.132 2.704 0.213 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.945 3.796 -1.180 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.259 4.244 0.400 1.00 15.00 H new ATOM 40 N PRO A 480 -7.087 8.131 2.200 1.00 15.00 N ATOM 41 CA PRO A 480 -6.482 9.238 2.957 1.00 15.00 C ATOM 42 C PRO A 480 -5.171 9.730 2.330 1.00 15.00 C ATOM 43 O PRO A 480 -4.435 8.946 1.742 1.00 15.00 O ATOM 44 CB PRO A 480 -6.203 8.559 4.292 1.00 15.00 C ATOM 45 CG PRO A 480 -7.359 7.643 4.476 1.00 15.00 C ATOM 46 CD PRO A 480 -7.688 7.125 3.101 1.00 15.00 C ATOM 0 HA PRO A 480 -7.115 10.124 3.004 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.260 8.013 4.273 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.135 9.284 5.103 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.108 6.826 5.153 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.210 8.168 4.911 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.266 6.134 2.934 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -8.764 7.043 2.950 1.00 15.00 H new ATOM 54 N PRO A 481 -4.843 11.026 2.486 1.00 15.00 N ATOM 55 CA PRO A 481 -3.652 11.634 1.862 1.00 15.00 C ATOM 56 C PRO A 481 -2.323 10.977 2.270 1.00 15.00 C ATOM 57 O PRO A 481 -1.268 11.309 1.724 1.00 15.00 O ATOM 58 CB PRO A 481 -3.696 13.093 2.331 1.00 15.00 C ATOM 59 CG PRO A 481 -4.595 13.092 3.520 1.00 15.00 C ATOM 60 CD PRO A 481 -5.603 12.005 3.275 1.00 15.00 C ATOM 0 HA PRO A 481 -3.683 11.512 0.779 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -2.701 13.454 2.590 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.079 13.747 1.548 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -4.033 12.904 4.434 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.085 14.058 3.640 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.969 11.576 4.208 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -6.472 12.375 2.731 1.00 15.00 H new ATOM 68 N GLY A 482 -2.365 10.077 3.247 1.00 15.00 N ATOM 69 CA GLY A 482 -1.181 9.311 3.589 1.00 15.00 C ATOM 70 C GLY A 482 -1.344 7.842 3.284 1.00 15.00 C ATOM 71 O GLY A 482 -0.423 7.060 3.483 1.00 15.00 O ATOM 0 H GLY A 482 -3.192 9.865 3.805 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.326 9.702 3.038 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.962 9.438 4.649 1.00 15.00 H new ATOM 75 N TRP A 483 -2.516 7.461 2.816 1.00 15.00 N ATOM 76 CA TRP A 483 -2.751 6.099 2.376 1.00 15.00 C ATOM 77 C TRP A 483 -2.664 6.056 0.867 1.00 15.00 C ATOM 78 O TRP A 483 -3.407 6.742 0.173 1.00 15.00 O ATOM 79 CB TRP A 483 -4.117 5.582 2.831 1.00 15.00 C ATOM 80 CG TRP A 483 -4.181 5.202 4.275 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.164 6.047 5.337 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.288 3.877 4.813 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.268 5.346 6.504 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.338 4.006 6.214 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.347 2.596 4.250 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.448 2.903 7.059 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.453 1.506 5.090 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.504 1.666 6.480 1.00 15.00 C ATOM 0 H TRP A 483 -3.324 8.078 2.730 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.994 5.455 2.823 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.866 6.349 2.636 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.384 4.715 2.227 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.080 7.122 5.269 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.290 5.752 7.439 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.310 2.464 3.179 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.488 3.021 8.132 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -4.497 0.513 4.668 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.590 0.792 7.109 1.00 15.00 H new ATOM 99 N GLU A 484 -1.755 5.258 0.361 1.00 15.00 N ATOM 100 CA GLU A 484 -1.540 5.188 -1.068 1.00 15.00 C ATOM 101 C GLU A 484 -1.746 3.772 -1.560 1.00 15.00 C ATOM 102 O GLU A 484 -1.172 2.836 -1.023 1.00 15.00 O ATOM 103 CB GLU A 484 -0.133 5.652 -1.408 1.00 15.00 C ATOM 104 CG GLU A 484 -0.088 6.857 -2.329 1.00 15.00 C ATOM 105 CD GLU A 484 -0.694 6.597 -3.700 1.00 15.00 C ATOM 106 OE1 GLU A 484 -1.885 6.236 -3.773 1.00 15.00 O ATOM 107 OE2 GLU A 484 0.019 6.771 -4.715 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.152 4.648 0.914 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.260 5.842 -1.561 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.392 5.894 -0.484 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.407 4.829 -1.876 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.618 7.685 -1.857 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.948 7.171 -2.452 1.00 15.00 H new ATOM 114 N MET A 485 -2.521 3.621 -2.608 1.00 15.00 N ATOM 115 CA MET A 485 -2.854 2.294 -3.096 1.00 15.00 C ATOM 116 C MET A 485 -2.180 2.060 -4.437 1.00 15.00 C ATOM 117 O MET A 485 -2.535 2.650 -5.458 1.00 15.00 O ATOM 118 CB MET A 485 -4.381 2.039 -3.136 1.00 15.00 C ATOM 119 CG MET A 485 -5.160 2.708 -4.257 1.00 15.00 C ATOM 120 SD MET A 485 -6.194 4.092 -3.721 1.00 15.00 S ATOM 121 CE MET A 485 -4.990 5.403 -3.505 1.00 15.00 C ATOM 0 H MET A 485 -2.932 4.389 -3.138 1.00 15.00 H new ATOM 0 HA MET A 485 -2.468 1.560 -2.389 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.544 0.963 -3.204 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.805 2.366 -2.186 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.457 3.065 -5.010 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.792 1.963 -4.740 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.499 6.367 -3.493 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.462 5.260 -2.562 1.00 15.00 H new ATOM 0 HE3 MET A 485 -4.276 5.380 -4.328 1.00 15.00 H new ATOM 131 N ARG A 486 -1.162 1.219 -4.404 1.00 15.00 N ATOM 132 CA ARG A 486 -0.281 1.030 -5.543 1.00 15.00 C ATOM 133 C ARG A 486 -0.350 -0.395 -6.044 1.00 15.00 C ATOM 134 O ARG A 486 -0.567 -1.328 -5.266 1.00 15.00 O ATOM 135 CB ARG A 486 1.159 1.367 -5.163 1.00 15.00 C ATOM 136 CG ARG A 486 1.329 2.743 -4.549 1.00 15.00 C ATOM 137 CD ARG A 486 0.637 3.813 -5.375 1.00 15.00 C ATOM 138 NE ARG A 486 0.936 3.687 -6.796 1.00 15.00 N ATOM 139 CZ ARG A 486 0.784 4.666 -7.675 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.420 5.881 -7.275 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 1.009 4.425 -8.959 1.00 15.00 N ATOM 0 H ARG A 486 -0.923 0.650 -3.592 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.610 1.700 -6.337 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.523 0.619 -4.459 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.784 1.298 -6.053 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.922 2.744 -3.538 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.390 2.976 -4.466 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.440 3.746 -5.224 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.948 4.798 -5.025 1.00 15.00 H new ATOM 0 HE ARG A 486 1.284 2.790 -7.134 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.256 6.064 -6.285 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.305 6.630 -7.958 1.00 15.00 H new ATOM 0 HH21 ARG A 486 1.296 3.494 -9.260 1.00 15.00 H new ATOM 0 HH22 ARG A 486 0.895 5.171 -9.645 1.00 15.00 H new ATOM 155 N ILE A 487 -0.132 -0.565 -7.334 1.00 15.00 N ATOM 156 CA ILE A 487 -0.228 -1.877 -7.943 1.00 15.00 C ATOM 157 C ILE A 487 1.112 -2.610 -7.906 1.00 15.00 C ATOM 158 O ILE A 487 2.150 -2.069 -8.285 1.00 15.00 O ATOM 159 CB ILE A 487 -0.740 -1.795 -9.400 1.00 15.00 C ATOM 160 CG1 ILE A 487 -2.120 -1.137 -9.447 1.00 15.00 C ATOM 161 CG2 ILE A 487 -0.807 -3.183 -10.025 1.00 15.00 C ATOM 162 CD1 ILE A 487 -3.193 -1.939 -8.739 1.00 15.00 C ATOM 0 H ILE A 487 0.112 0.187 -7.979 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.951 -2.442 -7.355 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.039 -1.187 -9.971 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -2.058 -0.147 -8.994 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.411 -0.994 -10.488 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -1.170 -3.103 -11.050 1.00 15.00 H new ATOM 0 HG22 ILE A 487 0.187 -3.630 -10.025 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.487 -3.810 -9.447 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -4.146 -1.415 -8.811 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.282 -2.920 -9.206 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.924 -2.060 -7.690 1.00 15.00 H new ATOM 174 N ALA A 488 1.063 -3.851 -7.450 1.00 15.00 N ATOM 175 CA ALA A 488 2.206 -4.737 -7.441 1.00 15.00 C ATOM 176 C ALA A 488 2.229 -5.491 -8.763 1.00 15.00 C ATOM 177 O ALA A 488 1.171 -5.713 -9.347 1.00 15.00 O ATOM 178 CB ALA A 488 2.121 -5.706 -6.271 1.00 15.00 C ATOM 0 H ALA A 488 0.215 -4.273 -7.072 1.00 15.00 H new ATOM 0 HA ALA A 488 3.125 -4.163 -7.324 1.00 15.00 H new ATOM 0 HB1 ALA A 488 2.989 -6.365 -6.280 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.100 -5.146 -5.336 1.00 15.00 H new ATOM 0 HB3 ALA A 488 1.212 -6.302 -6.357 1.00 15.00 H new ATOM 184 N PRO A 489 3.415 -5.879 -9.264 1.00 15.00 N ATOM 185 CA PRO A 489 3.569 -6.465 -10.611 1.00 15.00 C ATOM 186 C PRO A 489 2.653 -7.663 -10.895 1.00 15.00 C ATOM 187 O PRO A 489 2.446 -8.027 -12.051 1.00 15.00 O ATOM 188 CB PRO A 489 5.037 -6.897 -10.646 1.00 15.00 C ATOM 189 CG PRO A 489 5.713 -6.008 -9.662 1.00 15.00 C ATOM 190 CD PRO A 489 4.710 -5.771 -8.566 1.00 15.00 C ATOM 0 HA PRO A 489 3.289 -5.741 -11.376 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.148 -7.947 -10.374 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.461 -6.780 -11.643 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.617 -6.474 -9.270 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.014 -5.069 -10.126 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.801 -6.510 -7.770 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.839 -4.791 -8.107 1.00 15.00 H new ATOM 198 N ASN A 490 2.111 -8.277 -9.851 1.00 15.00 N ATOM 199 CA ASN A 490 1.229 -9.428 -10.022 1.00 15.00 C ATOM 200 C ASN A 490 -0.239 -9.005 -10.083 1.00 15.00 C ATOM 201 O ASN A 490 -1.125 -9.845 -10.232 1.00 15.00 O ATOM 202 CB ASN A 490 1.426 -10.436 -8.886 1.00 15.00 C ATOM 203 CG ASN A 490 2.743 -11.185 -8.981 1.00 15.00 C ATOM 204 OD1 ASN A 490 3.288 -11.375 -10.066 1.00 15.00 O ATOM 205 ND2 ASN A 490 3.252 -11.628 -7.841 1.00 15.00 N ATOM 0 H ASN A 490 2.264 -8.000 -8.881 1.00 15.00 H new ATOM 0 HA ASN A 490 1.492 -9.899 -10.969 1.00 15.00 H new ATOM 0 HB2 ASN A 490 1.380 -9.913 -7.931 1.00 15.00 H new ATOM 0 HB3 ASN A 490 0.605 -11.153 -8.897 1.00 15.00 H new ATOM 0 HD21 ASN A 490 4.129 -12.149 -7.842 1.00 15.00 H new ATOM 0 HD22 ASN A 490 2.767 -11.448 -6.962 1.00 15.00 H new ATOM 212 N GLY A 491 -0.496 -7.707 -9.972 1.00 15.00 N ATOM 213 CA GLY A 491 -1.861 -7.219 -9.994 1.00 15.00 C ATOM 214 C GLY A 491 -2.404 -6.985 -8.600 1.00 15.00 C ATOM 215 O GLY A 491 -3.600 -7.125 -8.355 1.00 15.00 O ATOM 0 H GLY A 491 0.216 -6.985 -9.867 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -1.904 -6.289 -10.560 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -2.494 -7.938 -10.514 1.00 15.00 H new ATOM 219 N ARG A 492 -1.520 -6.629 -7.682 1.00 15.00 N ATOM 220 CA ARG A 492 -1.914 -6.392 -6.300 1.00 15.00 C ATOM 221 C ARG A 492 -2.025 -4.905 -5.998 1.00 15.00 C ATOM 222 O ARG A 492 -1.064 -4.179 -6.150 1.00 15.00 O ATOM 223 CB ARG A 492 -0.902 -7.001 -5.323 1.00 15.00 C ATOM 224 CG ARG A 492 -1.012 -6.396 -3.946 1.00 15.00 C ATOM 225 CD ARG A 492 -2.068 -7.104 -3.114 1.00 15.00 C ATOM 226 NE ARG A 492 -2.754 -6.186 -2.214 1.00 15.00 N ATOM 227 CZ ARG A 492 -3.484 -6.573 -1.169 1.00 15.00 C ATOM 228 NH1 ARG A 492 -3.552 -7.859 -0.841 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 -4.147 -5.672 -0.458 1.00 15.00 N ATOM 0 H ARG A 492 -0.526 -6.498 -7.867 1.00 15.00 H new ATOM 0 HA ARG A 492 -2.887 -6.866 -6.172 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -1.062 -8.077 -5.260 1.00 15.00 H new ATOM 0 HB3 ARG A 492 0.107 -6.850 -5.706 1.00 15.00 H new ATOM 0 HG2 ARG A 492 -0.048 -6.457 -3.442 1.00 15.00 H new ATOM 0 HG3 ARG A 492 -1.261 -5.338 -4.030 1.00 15.00 H new ATOM 0 HD2 ARG A 492 -2.795 -7.576 -3.775 1.00 15.00 H new ATOM 0 HD3 ARG A 492 -1.600 -7.900 -2.534 1.00 15.00 H new ATOM 0 HE ARG A 492 -2.670 -5.186 -2.395 1.00 15.00 H new ATOM 0 HH11 ARG A 492 -3.044 -8.553 -1.390 1.00 15.00 H new ATOM 0 HH12 ARG A 492 -4.112 -8.152 -0.040 1.00 15.00 H new ATOM 0 HH21 ARG A 492 -4.097 -4.685 -0.712 1.00 15.00 H new ATOM 0 HH22 ARG A 492 -4.707 -5.965 0.343 1.00 15.00 H new ATOM 243 N PRO A 493 -3.177 -4.432 -5.535 1.00 15.00 N ATOM 244 CA PRO A 493 -3.295 -3.089 -4.997 1.00 15.00 C ATOM 245 C PRO A 493 -3.007 -3.075 -3.495 1.00 15.00 C ATOM 246 O PRO A 493 -3.819 -3.542 -2.693 1.00 15.00 O ATOM 247 CB PRO A 493 -4.761 -2.721 -5.274 1.00 15.00 C ATOM 248 CG PRO A 493 -5.386 -3.947 -5.882 1.00 15.00 C ATOM 249 CD PRO A 493 -4.472 -5.098 -5.563 1.00 15.00 C ATOM 0 HA PRO A 493 -2.588 -2.390 -5.443 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -5.273 -2.437 -4.355 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.829 -1.871 -5.953 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -6.382 -4.118 -5.473 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.500 -3.830 -6.960 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.716 -5.564 -4.608 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.516 -5.881 -6.321 1.00 15.00 H new ATOM 257 N PHE A 494 -1.819 -2.614 -3.119 1.00 15.00 N ATOM 258 CA PHE A 494 -1.452 -2.542 -1.712 1.00 15.00 C ATOM 259 C PHE A 494 -1.616 -1.127 -1.198 1.00 15.00 C ATOM 260 O PHE A 494 -1.465 -0.164 -1.946 1.00 15.00 O ATOM 261 CB PHE A 494 -0.023 -3.065 -1.441 1.00 15.00 C ATOM 262 CG PHE A 494 1.108 -2.388 -2.184 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.360 -1.024 -2.061 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.956 -3.147 -2.971 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.429 -0.436 -2.716 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.020 -2.569 -3.630 1.00 15.00 C ATOM 267 CZ PHE A 494 3.261 -1.213 -3.503 1.00 15.00 C ATOM 0 H PHE A 494 -1.100 -2.287 -3.764 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.131 -3.199 -1.169 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.173 -2.977 -0.372 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.001 -4.128 -1.683 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.713 -0.416 -1.446 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.782 -4.208 -3.070 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.612 0.623 -2.613 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.666 -3.176 -4.246 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.097 -0.761 -4.017 1.00 15.00 H new ATOM 277 N PHE A 495 -1.919 -1.010 0.080 1.00 15.00 N ATOM 278 CA PHE A 495 -2.182 0.279 0.683 1.00 15.00 C ATOM 279 C PHE A 495 -1.069 0.622 1.653 1.00 15.00 C ATOM 280 O PHE A 495 -0.853 -0.081 2.620 1.00 15.00 O ATOM 281 CB PHE A 495 -3.539 0.247 1.388 1.00 15.00 C ATOM 282 CG PHE A 495 -4.597 -0.386 0.532 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.029 0.247 -0.615 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.128 -1.625 0.852 1.00 15.00 C ATOM 285 CE1 PHE A 495 -5.972 -0.329 -1.437 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.078 -2.214 0.041 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.503 -1.566 -1.109 1.00 15.00 C ATOM 0 H PHE A 495 -1.989 -1.798 0.723 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.214 1.050 -0.087 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.450 -0.305 2.323 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.839 1.263 1.645 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.620 1.213 -0.873 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.796 -2.135 1.744 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.296 0.181 -2.332 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.489 -3.178 0.302 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.245 -2.024 -1.746 1.00 15.00 H new ATOM 297 N ILE A 496 -0.345 1.677 1.365 1.00 15.00 N ATOM 298 CA ILE A 496 0.773 2.078 2.187 1.00 15.00 C ATOM 299 C ILE A 496 0.374 3.225 3.080 1.00 15.00 C ATOM 300 O ILE A 496 -0.067 4.269 2.593 1.00 15.00 O ATOM 301 CB ILE A 496 1.991 2.500 1.335 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.487 1.314 0.501 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.109 3.029 2.228 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.738 1.610 -0.296 1.00 15.00 C ATOM 0 H ILE A 496 -0.512 2.279 0.559 1.00 15.00 H new ATOM 0 HA ILE A 496 1.059 1.215 2.789 1.00 15.00 H new ATOM 0 HB ILE A 496 1.685 3.299 0.659 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.681 0.471 1.164 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.696 1.006 -0.183 1.00 15.00 H new ATOM 0 HG21 ILE A 496 3.959 3.322 1.612 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.750 3.894 2.786 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.417 2.250 2.925 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.028 0.724 -0.860 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.544 2.432 -0.985 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.544 1.888 0.383 1.00 15.00 H new ATOM 316 N ASP A 497 0.527 3.035 4.375 1.00 15.00 N ATOM 317 CA ASP A 497 0.282 4.105 5.306 1.00 15.00 C ATOM 318 C ASP A 497 1.550 4.888 5.529 1.00 15.00 C ATOM 319 O ASP A 497 2.536 4.416 6.079 1.00 15.00 O ATOM 320 CB ASP A 497 -0.285 3.621 6.620 1.00 15.00 C ATOM 321 CG ASP A 497 0.525 2.502 7.269 1.00 15.00 C ATOM 322 OD1 ASP A 497 1.536 2.797 7.946 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 0.150 1.322 7.111 1.00 15.00 O ATOM 0 H ASP A 497 0.818 2.154 4.799 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.475 4.753 4.865 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -0.343 4.462 7.311 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.304 3.271 6.458 1.00 15.00 H new ATOM 328 N HIS A 498 1.512 6.081 5.031 1.00 15.00 N ATOM 329 CA HIS A 498 2.695 6.913 4.942 1.00 15.00 C ATOM 330 C HIS A 498 3.037 7.604 6.255 1.00 15.00 C ATOM 331 O HIS A 498 4.166 8.052 6.440 1.00 15.00 O ATOM 332 CB HIS A 498 2.575 7.907 3.790 1.00 15.00 C ATOM 333 CG HIS A 498 2.792 7.270 2.446 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.048 6.990 1.951 1.00 15.00 N ATOM 335 CD2 HIS A 498 1.916 6.832 1.503 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.939 6.414 0.772 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.656 6.305 0.473 1.00 15.00 N ATOM 0 H HIS A 498 0.664 6.518 4.670 1.00 15.00 H new ATOM 0 HA HIS A 498 3.533 6.249 4.731 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.587 8.366 3.814 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.302 8.707 3.929 1.00 15.00 H new ATOM 0 HD1 HIS A 498 4.927 7.197 2.425 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.839 6.888 1.554 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.761 6.085 0.153 1.00 15.00 H new ATOM 346 N ASN A 499 2.064 7.729 7.154 1.00 15.00 N ATOM 347 CA ASN A 499 2.333 8.371 8.437 1.00 15.00 C ATOM 348 C ASN A 499 3.009 7.400 9.397 1.00 15.00 C ATOM 349 O ASN A 499 4.029 7.722 10.002 1.00 15.00 O ATOM 350 CB ASN A 499 1.048 8.944 9.068 1.00 15.00 C ATOM 351 CG ASN A 499 -0.052 7.916 9.281 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.146 7.300 10.339 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.903 7.743 8.281 1.00 15.00 N ATOM 0 H ASN A 499 1.106 7.404 7.024 1.00 15.00 H new ATOM 0 HA ASN A 499 3.010 9.204 8.248 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.298 9.397 10.028 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.667 9.741 8.429 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.671 7.078 8.374 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.790 8.275 7.418 1.00 15.00 H new ATOM 360 N THR A 500 2.426 6.221 9.538 1.00 15.00 N ATOM 361 CA THR A 500 3.003 5.168 10.344 1.00 15.00 C ATOM 362 C THR A 500 4.102 4.406 9.592 1.00 15.00 C ATOM 363 O THR A 500 4.792 3.566 10.175 1.00 15.00 O ATOM 364 CB THR A 500 1.895 4.243 10.869 1.00 15.00 C ATOM 365 OG1 THR A 500 0.845 4.148 9.905 1.00 15.00 O ATOM 366 CG2 THR A 500 1.328 4.805 12.161 1.00 15.00 C ATOM 0 H THR A 500 1.541 5.971 9.096 1.00 15.00 H new ATOM 0 HA THR A 500 3.496 5.620 11.205 1.00 15.00 H new ATOM 0 HB THR A 500 2.317 3.255 11.050 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.230 3.998 9.016 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.542 4.146 12.530 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.121 4.877 12.905 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.913 5.796 11.976 1.00 15.00 H new ATOM 374 N LYS A 501 4.209 4.686 8.284 1.00 15.00 N ATOM 375 CA LYS A 501 5.325 4.247 7.426 1.00 15.00 C ATOM 376 C LYS A 501 5.253 2.749 7.088 1.00 15.00 C ATOM 377 O LYS A 501 6.196 2.176 6.535 1.00 15.00 O ATOM 378 CB LYS A 501 6.683 4.611 8.064 1.00 15.00 C ATOM 379 CG LYS A 501 7.363 3.478 8.816 1.00 15.00 C ATOM 380 CD LYS A 501 8.664 3.924 9.450 1.00 15.00 C ATOM 381 CE LYS A 501 9.516 2.733 9.847 1.00 15.00 C ATOM 382 NZ LYS A 501 8.811 1.821 10.789 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.510 5.234 7.782 1.00 15.00 H new ATOM 0 HA LYS A 501 5.233 4.784 6.482 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.354 4.961 7.279 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.533 5.444 8.750 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.693 3.101 9.589 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.557 2.652 8.131 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.216 4.553 8.751 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.453 4.533 10.329 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.800 2.179 8.953 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.438 3.087 10.309 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.475 1.100 11.136 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.443 2.369 11.593 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.021 1.356 10.297 1.00 15.00 H new ATOM 396 N THR A 502 4.115 2.138 7.345 1.00 15.00 N ATOM 397 CA THR A 502 3.965 0.706 7.171 1.00 15.00 C ATOM 398 C THR A 502 3.296 0.378 5.836 1.00 15.00 C ATOM 399 O THR A 502 2.529 1.172 5.297 1.00 15.00 O ATOM 400 CB THR A 502 3.143 0.112 8.333 1.00 15.00 C ATOM 401 OG1 THR A 502 3.703 0.541 9.582 1.00 15.00 O ATOM 402 CG2 THR A 502 3.128 -1.408 8.290 1.00 15.00 C ATOM 0 H THR A 502 3.276 2.613 7.677 1.00 15.00 H new ATOM 0 HA THR A 502 4.960 0.261 7.171 1.00 15.00 H new ATOM 0 HB THR A 502 2.117 0.466 8.233 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.180 0.165 10.321 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.539 -1.790 9.124 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.686 -1.741 7.351 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.148 -1.784 8.364 1.00 15.00 H new ATOM 410 N THR A 503 3.629 -0.775 5.278 1.00 15.00 N ATOM 411 CA THR A 503 2.939 -1.266 4.107 1.00 15.00 C ATOM 412 C THR A 503 1.814 -2.205 4.526 1.00 15.00 C ATOM 413 O THR A 503 2.058 -3.283 5.073 1.00 15.00 O ATOM 414 CB THR A 503 3.900 -1.987 3.137 1.00 15.00 C ATOM 415 OG1 THR A 503 4.739 -2.909 3.849 1.00 15.00 O ATOM 416 CG2 THR A 503 4.768 -0.987 2.391 1.00 15.00 C ATOM 0 H THR A 503 4.372 -1.384 5.620 1.00 15.00 H new ATOM 0 HA THR A 503 2.522 -0.408 3.580 1.00 15.00 H new ATOM 0 HB THR A 503 3.294 -2.536 2.417 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.200 -3.409 4.497 1.00 15.00 H new ATOM 0 HG21 THR A 503 5.436 -1.519 1.714 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.134 -0.311 1.818 1.00 15.00 H new ATOM 0 HG23 THR A 503 5.357 -0.413 3.106 1.00 15.00 H new ATOM 424 N THR A 504 0.585 -1.785 4.289 1.00 15.00 N ATOM 425 CA THR A 504 -0.571 -2.580 4.648 1.00 15.00 C ATOM 426 C THR A 504 -0.949 -3.500 3.488 1.00 15.00 C ATOM 427 O THR A 504 -1.437 -3.061 2.443 1.00 15.00 O ATOM 428 CB THR A 504 -1.779 -1.690 5.011 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.341 -0.370 5.361 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.559 -2.282 6.175 1.00 15.00 C ATOM 0 H THR A 504 0.363 -0.893 3.847 1.00 15.00 H new ATOM 0 HA THR A 504 -0.308 -3.174 5.524 1.00 15.00 H new ATOM 0 HB THR A 504 -2.428 -1.639 4.137 1.00 15.00 H new ATOM 0 HG1 THR A 504 -1.158 0.141 4.545 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.405 -1.637 6.412 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.923 -3.273 5.903 1.00 15.00 H new ATOM 0 HG23 THR A 504 -1.908 -2.361 7.046 1.00 15.00 H new ATOM 438 N TRP A 505 -0.691 -4.781 3.686 1.00 15.00 N ATOM 439 CA TRP A 505 -0.943 -5.800 2.680 1.00 15.00 C ATOM 440 C TRP A 505 -2.370 -6.322 2.844 1.00 15.00 C ATOM 441 O TRP A 505 -2.868 -7.114 2.045 1.00 15.00 O ATOM 442 CB TRP A 505 0.102 -6.908 2.863 1.00 15.00 C ATOM 443 CG TRP A 505 0.117 -7.992 1.826 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.166 -9.307 2.042 1.00 15.00 C ATOM 445 CD2 TRP A 505 0.462 -7.877 0.434 1.00 15.00 C ATOM 446 NE1 TRP A 505 -0.010 -10.020 0.885 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.366 -9.169 -0.120 1.00 15.00 C ATOM 448 CE3 TRP A 505 0.840 -6.816 -0.403 1.00 15.00 C ATOM 449 CZ2 TRP A 505 0.636 -9.430 -1.462 1.00 15.00 C ATOM 450 CZ3 TRP A 505 1.105 -7.083 -1.740 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.999 -8.379 -2.254 1.00 15.00 C ATOM 0 H TRP A 505 -0.299 -5.146 4.554 1.00 15.00 H new ATOM 0 HA TRP A 505 -0.856 -5.401 1.670 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.089 -6.446 2.887 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -0.058 -7.370 3.837 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.470 -9.726 2.990 1.00 15.00 H new ATOM 0 HE1 TRP A 505 -0.151 -11.025 0.786 1.00 15.00 H new ATOM 0 HE3 TRP A 505 0.923 -5.811 -0.015 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 0.561 -10.430 -1.862 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 1.398 -6.275 -2.394 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.209 -8.552 -3.299 1.00 15.00 H new ATOM 462 N GLU A 506 -3.011 -5.863 3.909 1.00 15.00 N ATOM 463 CA GLU A 506 -4.392 -6.209 4.207 1.00 15.00 C ATOM 464 C GLU A 506 -5.261 -4.973 4.208 1.00 15.00 C ATOM 465 O GLU A 506 -4.881 -3.927 4.734 1.00 15.00 O ATOM 466 CB GLU A 506 -4.463 -6.938 5.555 1.00 15.00 C ATOM 467 CG GLU A 506 -5.870 -7.136 6.090 1.00 15.00 C ATOM 468 CD GLU A 506 -5.888 -7.864 7.419 1.00 15.00 C ATOM 469 OE1 GLU A 506 -5.261 -7.371 8.382 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -6.527 -8.936 7.505 1.00 15.00 O ATOM 0 H GLU A 506 -2.586 -5.238 4.593 1.00 15.00 H new ATOM 0 HA GLU A 506 -4.769 -6.876 3.432 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -3.986 -7.913 5.452 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -3.885 -6.376 6.288 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -6.352 -6.165 6.205 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -6.456 -7.699 5.363 1.00 15.00 H new ATOM 477 N ASP A 507 -6.436 -5.118 3.623 1.00 15.00 N ATOM 478 CA ASP A 507 -7.339 -4.005 3.450 1.00 15.00 C ATOM 479 C ASP A 507 -7.901 -3.556 4.797 1.00 15.00 C ATOM 480 O ASP A 507 -8.422 -4.377 5.554 1.00 15.00 O ATOM 481 CB ASP A 507 -8.478 -4.395 2.506 1.00 15.00 C ATOM 482 CG ASP A 507 -9.285 -3.206 2.025 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.168 -2.735 2.773 1.00 15.00 O ATOM 484 OD2 ASP A 507 -9.052 -2.754 0.887 1.00 15.00 O1- ATOM 0 H ASP A 507 -6.785 -6.004 3.259 1.00 15.00 H new ATOM 0 HA ASP A 507 -6.786 -3.174 3.013 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -8.064 -4.918 1.644 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.141 -5.094 3.016 1.00 15.00 H new ATOM 489 N PRO A 508 -7.811 -2.250 5.113 1.00 15.00 N ATOM 490 CA PRO A 508 -8.284 -1.703 6.397 1.00 15.00 C ATOM 491 C PRO A 508 -9.810 -1.680 6.515 1.00 15.00 C ATOM 492 O PRO A 508 -10.349 -1.228 7.526 1.00 15.00 O ATOM 493 CB PRO A 508 -7.717 -0.281 6.396 1.00 15.00 C ATOM 494 CG PRO A 508 -7.620 0.073 4.953 1.00 15.00 C ATOM 495 CD PRO A 508 -7.228 -1.198 4.254 1.00 15.00 C ATOM 0 HA PRO A 508 -7.959 -2.311 7.241 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -8.369 0.408 6.932 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -6.742 -0.241 6.882 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -8.571 0.451 4.577 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.879 0.855 4.790 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -7.626 -1.239 3.240 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.145 -1.297 4.175 1.00 15.00 H new ATOM 503 N ARG A 509 -10.479 -2.158 5.460 1.00 15.00 N ATOM 504 CA ARG A 509 -11.938 -2.292 5.392 1.00 15.00 C ATOM 505 C ARG A 509 -12.675 -1.094 5.997 1.00 15.00 C ATOM 506 O ARG A 509 -13.198 -1.197 7.129 1.00 15.00 O ATOM 507 CB ARG A 509 -12.405 -3.625 6.012 1.00 15.00 C ATOM 508 CG ARG A 509 -12.000 -3.851 7.462 1.00 15.00 C ATOM 509 CD ARG A 509 -12.465 -5.211 7.953 1.00 15.00 C ATOM 510 NE ARG A 509 -12.342 -5.356 9.401 1.00 15.00 N ATOM 511 CZ ARG A 509 -13.210 -6.036 10.151 1.00 15.00 C ATOM 512 NH1 ARG A 509 -14.243 -6.654 9.586 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -13.045 -6.106 11.466 1.00 15.00 N ATOM 0 H ARG A 509 -10.010 -2.470 4.610 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.202 -2.304 4.335 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -13.492 -3.676 5.944 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -12.009 -4.444 5.411 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -10.917 -3.778 7.556 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -12.428 -3.069 8.089 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -13.505 -5.362 7.663 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -11.881 -5.990 7.462 1.00 15.00 H new ATOM 0 HE ARG A 509 -11.549 -4.913 9.864 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -14.374 -6.609 8.575 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -14.905 -7.173 10.163 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -12.252 -5.639 11.906 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -13.711 -6.627 12.037 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -2.346 -17.421 -2.799 1.00 15.00 N ATOM 529 CA ARG B 925 -1.752 -16.908 -1.549 1.00 15.00 C ATOM 530 C ARG B 925 -0.841 -15.728 -1.861 1.00 15.00 C ATOM 531 O ARG B 925 0.123 -15.862 -2.616 1.00 15.00 O ATOM 532 CB ARG B 925 -0.968 -18.021 -0.848 1.00 15.00 C ATOM 533 CG ARG B 925 -0.347 -17.601 0.473 1.00 15.00 C ATOM 534 CD ARG B 925 0.254 -18.792 1.200 1.00 15.00 C ATOM 535 NE ARG B 925 -0.752 -19.811 1.498 1.00 15.00 N ATOM 536 CZ ARG B 925 -0.466 -21.075 1.801 1.00 15.00 C ATOM 537 NH1 ARG B 925 0.794 -21.476 1.877 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 -1.444 -21.932 2.048 1.00 15.00 N ATOM 0 HA ARG B 925 -2.546 -16.572 -0.882 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -1.634 -18.866 -0.672 1.00 15.00 H new ATOM 0 HB3 ARG B 925 -0.179 -18.371 -1.514 1.00 15.00 H new ATOM 0 HG2 ARG B 925 0.426 -16.853 0.293 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -1.104 -17.132 1.101 1.00 15.00 H new ATOM 0 HD2 ARG B 925 1.044 -19.229 0.590 1.00 15.00 H new ATOM 0 HD3 ARG B 925 0.717 -18.456 2.128 1.00 15.00 H new ATOM 0 HE ARG B 925 -1.734 -19.536 1.472 1.00 15.00 H new ATOM 0 HH11 ARG B 925 1.551 -20.815 1.703 1.00 15.00 H new ATOM 0 HH12 ARG B 925 1.007 -22.446 2.110 1.00 15.00 H new ATOM 0 HH21 ARG B 925 -2.415 -21.623 2.006 1.00 15.00 H new ATOM 0 HH22 ARG B 925 -1.226 -22.901 2.280 1.00 15.00 H new ATOM 554 N LEU B 926 -1.155 -14.575 -1.291 1.00 15.00 N ATOM 555 CA LEU B 926 -0.391 -13.362 -1.549 1.00 15.00 C ATOM 556 C LEU B 926 0.564 -13.078 -0.399 1.00 15.00 C ATOM 557 O LEU B 926 0.136 -12.916 0.743 1.00 15.00 O ATOM 558 CB LEU B 926 -1.333 -12.170 -1.752 1.00 15.00 C ATOM 559 CG LEU B 926 -2.249 -12.256 -2.973 1.00 15.00 C ATOM 560 CD1 LEU B 926 -3.151 -11.032 -3.048 1.00 15.00 C ATOM 561 CD2 LEU B 926 -1.431 -12.396 -4.251 1.00 15.00 C ATOM 0 H LEU B 926 -1.935 -14.453 -0.645 1.00 15.00 H new ATOM 0 HA LEU B 926 0.190 -13.512 -2.459 1.00 15.00 H new ATOM 0 HB2 LEU B 926 -1.952 -12.063 -0.862 1.00 15.00 H new ATOM 0 HB3 LEU B 926 -0.732 -11.264 -1.833 1.00 15.00 H new ATOM 0 HG LEU B 926 -2.876 -13.142 -2.870 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -3.797 -11.109 -3.923 1.00 15.00 H new ATOM 0 HD12 LEU B 926 -3.764 -10.976 -2.148 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -2.539 -10.133 -3.127 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -2.102 -12.456 -5.108 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -0.778 -11.531 -4.361 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -0.827 -13.302 -4.199 1.00 15.00 H new ATOM 573 N ASP B 927 1.850 -13.010 -0.707 1.00 15.00 N ATOM 574 CA ASP B 927 2.869 -12.790 0.309 1.00 15.00 C ATOM 575 C ASP B 927 3.278 -11.321 0.358 1.00 15.00 C ATOM 576 O ASP B 927 3.474 -10.676 -0.673 1.00 15.00 O ATOM 577 CB ASP B 927 4.089 -13.680 0.044 1.00 15.00 C ATOM 578 CG ASP B 927 4.797 -13.357 -1.257 1.00 15.00 C ATOM 579 OD1 ASP B 927 4.257 -13.699 -2.331 1.00 15.00 O1- ATOM 580 OD2 ASP B 927 5.906 -12.780 -1.209 1.00 15.00 O ATOM 0 H ASP B 927 2.214 -13.104 -1.655 1.00 15.00 H new ATOM 0 HA ASP B 927 2.448 -13.057 1.278 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.794 -13.573 0.869 1.00 15.00 H new ATOM 0 HB3 ASP B 927 3.772 -14.723 0.028 1.00 15.00 H new ATOM 585 N LEU B 928 3.405 -10.811 1.572 1.00 15.00 N ATOM 586 CA LEU B 928 3.755 -9.416 1.808 1.00 15.00 C ATOM 587 C LEU B 928 5.237 -9.169 1.531 1.00 15.00 C ATOM 588 O LEU B 928 6.105 -9.814 2.128 1.00 15.00 O ATOM 589 CB LEU B 928 3.409 -9.054 3.260 1.00 15.00 C ATOM 590 CG LEU B 928 4.070 -7.787 3.821 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.532 -6.537 3.140 1.00 15.00 C ATOM 592 CD2 LEU B 928 3.863 -7.706 5.328 1.00 15.00 C ATOM 0 H LEU B 928 3.268 -11.353 2.425 1.00 15.00 H new ATOM 0 HA LEU B 928 3.185 -8.783 1.128 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.328 -8.938 3.335 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.684 -9.894 3.897 1.00 15.00 H new ATOM 0 HG LEU B 928 5.139 -7.844 3.616 1.00 15.00 H new ATOM 0 HD11 LEU B 928 4.019 -5.656 3.559 1.00 15.00 H new ATOM 0 HD12 LEU B 928 3.735 -6.590 2.070 1.00 15.00 H new ATOM 0 HD13 LEU B 928 2.456 -6.468 3.303 1.00 15.00 H new ATOM 0 HD21 LEU B 928 4.337 -6.803 5.712 1.00 15.00 H new ATOM 0 HD22 LEU B 928 2.796 -7.677 5.548 1.00 15.00 H new ATOM 0 HD23 LEU B 928 4.308 -8.580 5.804 1.00 15.00 H new ATOM 604 N PRO B 929 5.550 -8.233 0.619 1.00 15.00 N ATOM 605 CA PRO B 929 6.920 -7.871 0.302 1.00 15.00 C ATOM 606 C PRO B 929 7.431 -6.728 1.182 1.00 15.00 C ATOM 607 O PRO B 929 6.638 -5.973 1.756 1.00 15.00 O ATOM 608 CB PRO B 929 6.820 -7.427 -1.158 1.00 15.00 C ATOM 609 CG PRO B 929 5.413 -6.957 -1.354 1.00 15.00 C ATOM 610 CD PRO B 929 4.595 -7.443 -0.180 1.00 15.00 C ATOM 0 HA PRO B 929 7.621 -8.689 0.469 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.531 -6.629 -1.372 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.053 -8.251 -1.833 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.379 -5.869 -1.419 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.008 -7.345 -2.289 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.187 -6.611 0.394 1.00 15.00 H new ATOM 0 HD3 PRO B 929 3.750 -8.050 -0.506 1.00 15.00 H new ATOM 618 N PRO B 930 8.764 -6.587 1.301 1.00 15.00 N ATOM 619 CA PRO B 930 9.385 -5.465 2.015 1.00 15.00 C ATOM 620 C PRO B 930 8.984 -4.127 1.400 1.00 15.00 C ATOM 621 O PRO B 930 8.477 -4.083 0.280 1.00 15.00 O ATOM 622 CB PRO B 930 10.887 -5.702 1.831 1.00 15.00 C ATOM 623 CG PRO B 930 11.017 -7.144 1.489 1.00 15.00 C ATOM 624 CD PRO B 930 9.766 -7.510 0.746 1.00 15.00 C ATOM 0 HA PRO B 930 9.080 -5.421 3.060 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.291 -5.072 1.039 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.438 -5.462 2.741 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.900 -7.321 0.876 1.00 15.00 H new ATOM 0 HG3 PRO B 930 11.127 -7.749 2.389 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.883 -7.378 -0.330 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.490 -8.551 0.911 1.00 15.00 H new ATOM 632 N TYR B 931 9.219 -3.043 2.118 1.00 15.00 N ATOM 633 CA TYR B 931 8.831 -1.730 1.632 1.00 15.00 C ATOM 634 C TYR B 931 9.853 -1.222 0.609 1.00 15.00 C ATOM 635 O TYR B 931 11.029 -1.041 0.929 1.00 15.00 O ATOM 636 CB TYR B 931 8.761 -0.782 2.844 1.00 15.00 C ATOM 637 CG TYR B 931 8.119 0.580 2.622 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.798 1.057 1.355 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.834 1.395 3.711 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.218 2.298 1.184 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.254 2.636 3.550 1.00 15.00 C ATOM 642 CZ TYR B 931 6.948 3.084 2.283 1.00 15.00 C ATOM 643 OH TYR B 931 6.364 4.319 2.116 1.00 15.00 O ATOM 0 H TYR B 931 9.672 -3.044 3.032 1.00 15.00 H new ATOM 0 HA TYR B 931 7.861 -1.777 1.137 1.00 15.00 H new ATOM 0 HB2 TYR B 931 8.213 -1.289 3.639 1.00 15.00 H new ATOM 0 HB3 TYR B 931 9.776 -0.622 3.208 1.00 15.00 H new ATOM 0 HD1 TYR B 931 8.006 0.445 0.490 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.072 1.049 4.706 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.977 2.652 0.192 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.041 3.252 4.411 1.00 15.00 H new ATOM 0 HH TYR B 931 6.241 4.743 2.991 1.00 15.00 H new ATOM 653 N GLU B 932 9.388 -0.990 -0.613 1.00 15.00 N ATOM 654 CA GLU B 932 10.153 -0.276 -1.629 1.00 15.00 C ATOM 655 C GLU B 932 9.513 1.079 -1.844 1.00 15.00 C ATOM 656 O GLU B 932 8.285 1.182 -1.836 1.00 15.00 O ATOM 657 CB GLU B 932 10.181 -1.042 -2.959 1.00 15.00 C ATOM 658 CG GLU B 932 11.176 -2.194 -3.009 1.00 15.00 C ATOM 659 CD GLU B 932 10.735 -3.408 -2.221 1.00 15.00 C ATOM 660 OE1 GLU B 932 9.719 -4.028 -2.600 1.00 15.00 O ATOM 661 OE2 GLU B 932 11.425 -3.774 -1.247 1.00 15.00 O1- ATOM 0 H GLU B 932 8.466 -1.293 -0.928 1.00 15.00 H new ATOM 0 HA GLU B 932 11.182 -0.172 -1.284 1.00 15.00 H new ATOM 0 HB2 GLU B 932 9.183 -1.433 -3.159 1.00 15.00 H new ATOM 0 HB3 GLU B 932 10.416 -0.342 -3.761 1.00 15.00 H new ATOM 0 HG2 GLU B 932 11.333 -2.483 -4.048 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.137 -1.851 -2.625 1.00 15.00 H new ATOM 668 N THR B 933 10.298 2.117 -2.059 1.00 15.00 N ATOM 669 CA THR B 933 9.695 3.406 -2.270 1.00 15.00 C ATOM 670 C THR B 933 9.374 3.631 -3.740 1.00 15.00 C ATOM 671 O THR B 933 10.239 3.601 -4.618 1.00 15.00 O ATOM 672 CB THR B 933 10.544 4.569 -1.745 1.00 15.00 C ATOM 673 OG1 THR B 933 11.128 4.221 -0.482 1.00 15.00 O ATOM 674 CG2 THR B 933 9.667 5.808 -1.580 1.00 15.00 C ATOM 0 H THR B 933 11.317 2.092 -2.091 1.00 15.00 H new ATOM 0 HA THR B 933 8.771 3.393 -1.692 1.00 15.00 H new ATOM 0 HB THR B 933 11.341 4.779 -2.459 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.670 4.969 -0.155 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.272 6.635 -1.207 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.236 6.080 -2.544 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.866 5.595 -0.872 1.00 15.00 H new ATOM 682 N PHE B 934 8.103 3.827 -3.963 1.00 15.00 N ATOM 683 CA PHE B 934 7.542 4.247 -5.227 1.00 15.00 C ATOM 684 C PHE B 934 7.390 5.768 -5.163 1.00 15.00 C ATOM 685 O PHE B 934 7.796 6.371 -4.168 1.00 15.00 O ATOM 686 CB PHE B 934 6.203 3.555 -5.477 1.00 15.00 C ATOM 687 CG PHE B 934 5.135 4.067 -4.579 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.036 3.636 -3.268 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.261 5.027 -5.037 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.082 4.166 -2.436 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.303 5.550 -4.214 1.00 15.00 C ATOM 692 CZ PHE B 934 3.219 5.123 -2.913 1.00 15.00 C ATOM 0 H PHE B 934 7.396 3.694 -3.240 1.00 15.00 H new ATOM 0 HA PHE B 934 8.191 3.970 -6.058 1.00 15.00 H new ATOM 0 HB2 PHE B 934 5.906 3.704 -6.515 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.317 2.481 -5.329 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.712 2.879 -2.898 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.333 5.371 -6.058 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.010 3.833 -1.411 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.616 6.295 -4.586 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.469 5.542 -2.259 1.00 15.00 H new ATOM 702 N GLU B 935 6.858 6.383 -6.211 1.00 15.00 N ATOM 703 CA GLU B 935 6.796 7.842 -6.312 1.00 15.00 C ATOM 704 C GLU B 935 6.251 8.484 -5.027 1.00 15.00 C ATOM 705 O GLU B 935 5.193 8.112 -4.514 1.00 15.00 O ATOM 706 CB GLU B 935 5.884 8.233 -7.479 1.00 15.00 C ATOM 707 CG GLU B 935 4.509 7.562 -7.442 1.00 15.00 C ATOM 708 CD GLU B 935 4.445 6.304 -8.297 1.00 15.00 C ATOM 709 OE1 GLU B 935 5.207 5.349 -8.038 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 3.644 6.279 -9.257 1.00 15.00 O ATOM 0 H GLU B 935 6.459 5.892 -7.011 1.00 15.00 H new ATOM 0 HA GLU B 935 7.812 8.204 -6.473 1.00 15.00 H new ATOM 0 HB2 GLU B 935 5.750 9.315 -7.476 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.378 7.976 -8.416 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.261 7.309 -6.411 1.00 15.00 H new ATOM 0 HG3 GLU B 935 3.755 8.269 -7.787 1.00 15.00 H new ATOM 717 N ASP B 936 7.004 9.456 -4.523 1.00 15.00 N ATOM 718 CA ASP B 936 6.702 10.109 -3.254 1.00 15.00 C ATOM 719 C ASP B 936 5.480 11.013 -3.370 1.00 15.00 C ATOM 720 O ASP B 936 5.226 11.607 -4.421 1.00 15.00 O ATOM 721 CB ASP B 936 7.910 10.929 -2.788 1.00 15.00 C ATOM 722 CG ASP B 936 8.222 12.094 -3.709 1.00 15.00 C ATOM 723 OD1 ASP B 936 8.677 11.853 -4.848 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 8.011 13.255 -3.300 1.00 15.00 O ATOM 0 H ASP B 936 7.841 9.814 -4.983 1.00 15.00 H new ATOM 0 HA ASP B 936 6.481 9.333 -2.522 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.721 11.307 -1.783 1.00 15.00 H new ATOM 0 HB3 ASP B 936 8.782 10.278 -2.725 1.00 15.00 H new ATOM 729 N LEU B 937 4.746 11.129 -2.272 1.00 15.00 N ATOM 730 CA LEU B 937 3.556 11.964 -2.228 1.00 15.00 C ATOM 731 C LEU B 937 3.921 13.409 -1.902 1.00 15.00 C ATOM 732 O LEU B 937 3.801 14.295 -2.747 1.00 15.00 O ATOM 733 CB LEU B 937 2.552 11.426 -1.201 1.00 15.00 C ATOM 734 CG LEU B 937 1.877 10.106 -1.571 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.895 9.696 -0.485 1.00 15.00 C ATOM 736 CD2 LEU B 937 1.171 10.224 -2.914 1.00 15.00 C ATOM 0 H LEU B 937 4.956 10.652 -1.395 1.00 15.00 H new ATOM 0 HA LEU B 937 3.091 11.938 -3.213 1.00 15.00 H new ATOM 0 HB2 LEU B 937 3.067 11.297 -0.249 1.00 15.00 H new ATOM 0 HB3 LEU B 937 1.779 12.178 -1.046 1.00 15.00 H new ATOM 0 HG LEU B 937 2.643 9.335 -1.656 1.00 15.00 H new ATOM 0 HD11 LEU B 937 0.421 8.754 -0.760 1.00 15.00 H new ATOM 0 HD12 LEU B 937 1.427 9.572 0.458 1.00 15.00 H new ATOM 0 HD13 LEU B 937 0.133 10.467 -0.374 1.00 15.00 H new ATOM 0 HD21 LEU B 937 0.696 9.274 -3.160 1.00 15.00 H new ATOM 0 HD22 LEU B 937 0.413 11.005 -2.859 1.00 15.00 H new ATOM 0 HD23 LEU B 937 1.898 10.477 -3.686 1.00 15.00 H new HETATM 748 N NH2 B 938 4.359 13.645 -0.675 1.00 15.00 N TER 751 NH2 B 938