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 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 931 TYR OH : rot 30:sc= 0 USER MOD Single : A 485 MET CE :methyl -159:sc= -0.206 (180deg=-0.865) USER MOD Single : A 490 ASN : amide:sc= -3! C(o=-3!,f=-13!) USER MOD Single : A 498 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-2) USER MOD Single : A 499 ASN : amide:sc=-0.00044 X(o=-0.00044,f=0) USER MOD Single : A 500 THR OG1 : rot 115:sc= 1.14 USER MOD Single : A 502 THR OG1 : rot 173:sc= -1.08 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 504 THR OG1 : rot -65:sc= 1.26 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -12.894 8.531 0.977 1.00 15.00 N ATOM 2 CA PHE A 478 -11.872 7.476 0.820 1.00 15.00 C ATOM 3 C PHE A 478 -11.002 7.380 2.059 1.00 15.00 C ATOM 4 O PHE A 478 -11.129 8.173 2.994 1.00 15.00 O ATOM 5 CB PHE A 478 -10.993 7.722 -0.420 1.00 15.00 C ATOM 6 CG PHE A 478 -10.373 9.095 -0.490 1.00 15.00 C ATOM 7 CD1 PHE A 478 -11.126 10.200 -0.856 1.00 15.00 C ATOM 8 CD2 PHE A 478 -9.032 9.276 -0.193 1.00 15.00 C ATOM 9 CE1 PHE A 478 -10.554 11.455 -0.921 1.00 15.00 C ATOM 10 CE2 PHE A 478 -8.454 10.529 -0.257 1.00 15.00 C ATOM 11 CZ PHE A 478 -9.216 11.620 -0.621 1.00 15.00 C ATOM 0 HA PHE A 478 -12.399 6.532 0.683 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -10.197 6.977 -0.438 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -11.597 7.565 -1.314 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -12.173 10.078 -1.093 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -8.430 8.426 0.092 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -11.153 12.307 -1.206 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -7.407 10.654 -0.022 1.00 15.00 H new ATOM 0 HZ PHE A 478 -8.767 12.601 -0.671 1.00 15.00 H new ATOM 21 N LEU A 479 -10.132 6.389 2.044 1.00 15.00 N ATOM 22 CA LEU A 479 -9.161 6.150 3.100 1.00 15.00 C ATOM 23 C LEU A 479 -8.294 7.389 3.381 1.00 15.00 C ATOM 24 O LEU A 479 -8.166 8.270 2.532 1.00 15.00 O ATOM 25 CB LEU A 479 -8.282 4.953 2.695 1.00 15.00 C ATOM 26 CG LEU A 479 -7.248 5.181 1.572 1.00 15.00 C ATOM 27 CD1 LEU A 479 -6.622 3.861 1.177 1.00 15.00 C ATOM 28 CD2 LEU A 479 -7.851 5.834 0.336 1.00 15.00 C ATOM 0 H LEU A 479 -10.077 5.712 1.283 1.00 15.00 H new ATOM 0 HA LEU A 479 -9.696 5.930 4.024 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.747 4.612 3.582 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -8.940 4.140 2.388 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.496 5.862 1.970 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.893 4.027 0.384 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.124 3.421 2.041 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.397 3.183 0.821 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -7.076 5.969 -0.419 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -8.640 5.197 -0.064 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -8.269 6.804 0.604 1.00 15.00 H new ATOM 40 N PRO A 480 -7.721 7.470 4.598 1.00 15.00 N ATOM 41 CA PRO A 480 -6.766 8.518 4.996 1.00 15.00 C ATOM 42 C PRO A 480 -5.790 8.919 3.884 1.00 15.00 C ATOM 43 O PRO A 480 -5.269 8.062 3.177 1.00 15.00 O ATOM 44 CB PRO A 480 -6.008 7.817 6.113 1.00 15.00 C ATOM 45 CG PRO A 480 -7.052 7.016 6.803 1.00 15.00 C ATOM 46 CD PRO A 480 -7.979 6.536 5.716 1.00 15.00 C ATOM 0 HA PRO A 480 -7.264 9.450 5.263 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.213 7.184 5.720 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -5.541 8.533 6.790 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -6.611 6.177 7.341 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.587 7.619 7.537 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.766 5.505 5.434 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.021 6.570 6.034 1.00 15.00 H new ATOM 54 N PRO A 481 -5.491 10.226 3.759 1.00 15.00 N ATOM 55 CA PRO A 481 -4.618 10.755 2.695 1.00 15.00 C ATOM 56 C PRO A 481 -3.181 10.228 2.759 1.00 15.00 C ATOM 57 O PRO A 481 -2.397 10.431 1.829 1.00 15.00 O ATOM 58 CB PRO A 481 -4.631 12.270 2.930 1.00 15.00 C ATOM 59 CG PRO A 481 -5.831 12.523 3.778 1.00 15.00 C ATOM 60 CD PRO A 481 -5.991 11.300 4.632 1.00 15.00 C ATOM 0 HA PRO A 481 -4.979 10.449 1.713 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.720 12.599 3.429 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.693 12.814 1.988 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.696 13.414 4.392 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.716 12.690 3.164 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.415 11.373 5.555 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.031 11.139 4.917 1.00 15.00 H new ATOM 68 N GLY A 482 -2.826 9.581 3.864 1.00 15.00 N ATOM 69 CA GLY A 482 -1.511 8.975 3.974 1.00 15.00 C ATOM 70 C GLY A 482 -1.533 7.532 3.540 1.00 15.00 C ATOM 71 O GLY A 482 -0.488 6.891 3.441 1.00 15.00 O ATOM 0 H GLY A 482 -3.423 9.465 4.683 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.800 9.530 3.361 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.163 9.041 5.005 1.00 15.00 H new ATOM 75 N TRP A 483 -2.729 7.023 3.300 1.00 15.00 N ATOM 76 CA TRP A 483 -2.908 5.678 2.794 1.00 15.00 C ATOM 77 C TRP A 483 -3.071 5.730 1.285 1.00 15.00 C ATOM 78 O TRP A 483 -4.071 6.223 0.769 1.00 15.00 O ATOM 79 CB TRP A 483 -4.120 5.009 3.440 1.00 15.00 C ATOM 80 CG TRP A 483 -3.872 4.503 4.828 1.00 15.00 C ATOM 81 CD1 TRP A 483 -3.686 5.242 5.965 1.00 15.00 C ATOM 82 CD2 TRP A 483 -3.800 3.132 5.223 1.00 15.00 C ATOM 83 NE1 TRP A 483 -3.504 4.407 7.041 1.00 15.00 N ATOM 84 CE2 TRP A 483 -3.571 3.107 6.611 1.00 15.00 C ATOM 85 CE3 TRP A 483 -3.907 1.919 4.534 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -3.451 1.916 7.323 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.786 0.740 5.242 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.562 0.745 6.624 1.00 15.00 C ATOM 0 H TRP A 483 -3.600 7.531 3.451 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.029 5.084 3.044 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.944 5.722 3.467 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.439 4.177 2.813 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -3.683 6.321 6.010 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.345 4.706 8.003 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.081 1.905 3.468 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -3.277 1.917 8.389 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.866 -0.203 4.721 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.475 -0.195 7.149 1.00 15.00 H new ATOM 99 N GLU A 484 -2.065 5.249 0.592 1.00 15.00 N ATOM 100 CA GLU A 484 -2.015 5.349 -0.854 1.00 15.00 C ATOM 101 C GLU A 484 -2.318 3.995 -1.488 1.00 15.00 C ATOM 102 O GLU A 484 -1.883 2.956 -0.993 1.00 15.00 O ATOM 103 CB GLU A 484 -0.628 5.851 -1.263 1.00 15.00 C ATOM 104 CG GLU A 484 -0.647 7.074 -2.172 1.00 15.00 C ATOM 105 CD GLU A 484 -1.184 6.791 -3.561 1.00 15.00 C ATOM 106 OE1 GLU A 484 -2.377 6.460 -3.691 1.00 15.00 O1- ATOM 107 OE2 GLU A 484 -0.408 6.904 -4.533 1.00 15.00 O ATOM 0 H GLU A 484 -1.261 4.779 1.009 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.769 6.053 -1.206 1.00 15.00 H new ATOM 0 HB2 GLU A 484 -0.061 6.090 -0.363 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.097 5.045 -1.769 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -1.255 7.851 -1.708 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.365 7.469 -2.257 1.00 15.00 H new ATOM 114 N MET A 485 -3.046 4.017 -2.591 1.00 15.00 N ATOM 115 CA MET A 485 -3.429 2.794 -3.286 1.00 15.00 C ATOM 116 C MET A 485 -2.615 2.652 -4.552 1.00 15.00 C ATOM 117 O MET A 485 -2.795 3.407 -5.509 1.00 15.00 O ATOM 118 CB MET A 485 -4.916 2.803 -3.637 1.00 15.00 C ATOM 119 CG MET A 485 -5.812 2.774 -2.428 1.00 15.00 C ATOM 120 SD MET A 485 -7.566 2.828 -2.853 1.00 15.00 S ATOM 121 CE MET A 485 -7.660 4.391 -3.725 1.00 15.00 C ATOM 0 H MET A 485 -3.387 4.873 -3.029 1.00 15.00 H new ATOM 0 HA MET A 485 -3.236 1.951 -2.623 1.00 15.00 H new ATOM 0 HB2 MET A 485 -5.138 3.694 -4.224 1.00 15.00 H new ATOM 0 HB3 MET A 485 -5.139 1.942 -4.267 1.00 15.00 H new ATOM 0 HG2 MET A 485 -5.610 1.870 -1.854 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.573 3.620 -1.784 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.690 4.747 -3.724 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.022 5.123 -3.229 1.00 15.00 H new ATOM 0 HE3 MET A 485 -7.325 4.255 -4.753 1.00 15.00 H new ATOM 131 N ARG A 486 -1.720 1.688 -4.554 1.00 15.00 N ATOM 132 CA ARG A 486 -0.790 1.524 -5.664 1.00 15.00 C ATOM 133 C ARG A 486 -0.611 0.059 -6.018 1.00 15.00 C ATOM 134 O ARG A 486 -0.661 -0.813 -5.151 1.00 15.00 O ATOM 135 CB ARG A 486 0.566 2.141 -5.313 1.00 15.00 C ATOM 136 CG ARG A 486 0.526 3.653 -5.151 1.00 15.00 C ATOM 137 CD ARG A 486 0.157 4.347 -6.454 1.00 15.00 C ATOM 138 NE ARG A 486 1.110 4.055 -7.524 1.00 15.00 N ATOM 139 CZ ARG A 486 0.880 4.301 -8.811 1.00 15.00 C ATOM 140 NH1 ARG A 486 -0.242 4.903 -9.193 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 1.787 3.964 -9.712 1.00 15.00 N ATOM 0 H ARG A 486 -1.612 1.005 -3.804 1.00 15.00 H new ATOM 0 HA ARG A 486 -1.208 2.038 -6.530 1.00 15.00 H new ATOM 0 HB2 ARG A 486 0.930 1.695 -4.387 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.284 1.887 -6.093 1.00 15.00 H new ATOM 0 HG2 ARG A 486 -0.197 3.918 -4.380 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.499 4.009 -4.811 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.840 4.032 -6.762 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.115 5.424 -6.291 1.00 15.00 H new ATOM 0 HE ARG A 486 2.005 3.638 -7.268 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.934 5.180 -8.497 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -0.410 5.088 -10.182 1.00 15.00 H new ATOM 0 HH21 ARG A 486 2.656 3.518 -9.419 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.617 4.150 -10.701 1.00 15.00 H new ATOM 155 N ILE A 487 -0.383 -0.200 -7.294 1.00 15.00 N ATOM 156 CA ILE A 487 -0.152 -1.552 -7.770 1.00 15.00 C ATOM 157 C ILE A 487 1.337 -1.802 -7.966 1.00 15.00 C ATOM 158 O ILE A 487 2.102 -0.875 -8.237 1.00 15.00 O ATOM 159 CB ILE A 487 -0.920 -1.844 -9.089 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.553 -0.845 -10.197 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.420 -1.829 -8.844 1.00 15.00 C ATOM 162 CD1 ILE A 487 0.596 -1.299 -11.075 1.00 15.00 C ATOM 0 H ILE A 487 -0.353 0.513 -8.023 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.533 -2.232 -7.008 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.623 -2.837 -9.427 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -1.429 -0.672 -10.822 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.294 0.110 -9.741 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.943 -2.035 -9.778 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.676 -2.592 -8.108 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.718 -0.849 -8.470 1.00 15.00 H new ATOM 0 HD11 ILE A 487 0.796 -0.542 -11.833 1.00 15.00 H new ATOM 0 HD12 ILE A 487 1.486 -1.444 -10.463 1.00 15.00 H new ATOM 0 HD13 ILE A 487 0.333 -2.238 -11.561 1.00 15.00 H new ATOM 174 N ALA A 488 1.741 -3.046 -7.793 1.00 15.00 N ATOM 175 CA ALA A 488 3.108 -3.454 -8.059 1.00 15.00 C ATOM 176 C ALA A 488 3.229 -3.895 -9.511 1.00 15.00 C ATOM 177 O ALA A 488 2.251 -4.373 -10.089 1.00 15.00 O ATOM 178 CB ALA A 488 3.519 -4.580 -7.122 1.00 15.00 C ATOM 0 H ALA A 488 1.135 -3.799 -7.466 1.00 15.00 H new ATOM 0 HA ALA A 488 3.776 -2.610 -7.885 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.547 -4.874 -7.335 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.446 -4.239 -6.089 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.859 -5.435 -7.269 1.00 15.00 H new ATOM 184 N PRO A 489 4.417 -3.729 -10.123 1.00 15.00 N ATOM 185 CA PRO A 489 4.644 -4.012 -11.555 1.00 15.00 C ATOM 186 C PRO A 489 4.331 -5.455 -11.978 1.00 15.00 C ATOM 187 O PRO A 489 4.436 -5.790 -13.156 1.00 15.00 O ATOM 188 CB PRO A 489 6.138 -3.725 -11.749 1.00 15.00 C ATOM 189 CG PRO A 489 6.504 -2.818 -10.629 1.00 15.00 C ATOM 190 CD PRO A 489 5.642 -3.230 -9.470 1.00 15.00 C ATOM 0 HA PRO A 489 3.977 -3.406 -12.168 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.723 -4.644 -11.720 1.00 15.00 H new ATOM 0 HB3 PRO A 489 6.328 -3.256 -12.715 1.00 15.00 H new ATOM 0 HG2 PRO A 489 7.562 -2.909 -10.382 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.328 -1.776 -10.896 1.00 15.00 H new ATOM 0 HD2 PRO A 489 6.120 -4.002 -8.867 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.432 -2.391 -8.806 1.00 15.00 H new ATOM 198 N ASN A 490 3.966 -6.307 -11.030 1.00 15.00 N ATOM 199 CA ASN A 490 3.591 -7.681 -11.349 1.00 15.00 C ATOM 200 C ASN A 490 2.073 -7.868 -11.248 1.00 15.00 C ATOM 201 O ASN A 490 1.541 -8.912 -11.621 1.00 15.00 O ATOM 202 CB ASN A 490 4.316 -8.680 -10.439 1.00 15.00 C ATOM 203 CG ASN A 490 3.913 -8.558 -8.983 1.00 15.00 C ATOM 204 OD1 ASN A 490 3.545 -7.481 -8.514 1.00 15.00 O ATOM 205 ND2 ASN A 490 3.997 -9.658 -8.252 1.00 15.00 N ATOM 0 H ASN A 490 3.921 -6.074 -10.038 1.00 15.00 H new ATOM 0 HA ASN A 490 3.896 -7.878 -12.377 1.00 15.00 H new ATOM 0 HB2 ASN A 490 4.109 -9.693 -10.784 1.00 15.00 H new ATOM 0 HB3 ASN A 490 5.392 -8.528 -10.526 1.00 15.00 H new ATOM 0 HD21 ASN A 490 3.752 -9.632 -7.262 1.00 15.00 H new ATOM 0 HD22 ASN A 490 4.307 -10.531 -8.678 1.00 15.00 H new ATOM 212 N GLY A 491 1.382 -6.851 -10.742 1.00 15.00 N ATOM 213 CA GLY A 491 -0.071 -6.882 -10.711 1.00 15.00 C ATOM 214 C GLY A 491 -0.661 -7.165 -9.340 1.00 15.00 C ATOM 215 O GLY A 491 -1.709 -7.797 -9.235 1.00 15.00 O ATOM 0 H GLY A 491 1.801 -6.006 -10.353 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.451 -5.924 -11.066 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -0.422 -7.643 -11.409 1.00 15.00 H new ATOM 219 N ARG A 492 0.001 -6.709 -8.286 1.00 15.00 N ATOM 220 CA ARG A 492 -0.567 -6.805 -6.942 1.00 15.00 C ATOM 221 C ARG A 492 -0.798 -5.413 -6.361 1.00 15.00 C ATOM 222 O ARG A 492 0.126 -4.609 -6.279 1.00 15.00 O ATOM 223 CB ARG A 492 0.327 -7.636 -6.008 1.00 15.00 C ATOM 224 CG ARG A 492 1.805 -7.309 -6.101 1.00 15.00 C ATOM 225 CD ARG A 492 2.652 -8.273 -5.282 1.00 15.00 C ATOM 226 NE ARG A 492 4.084 -8.066 -5.508 1.00 15.00 N ATOM 227 CZ ARG A 492 5.047 -8.689 -4.828 1.00 15.00 C ATOM 228 NH1 ARG A 492 4.745 -9.579 -3.892 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 6.320 -8.439 -5.106 1.00 15.00 N ATOM 0 H ARG A 492 0.922 -6.273 -8.330 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.526 -7.317 -7.023 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -0.002 -7.484 -4.980 1.00 15.00 H new ATOM 0 HB3 ARG A 492 0.186 -8.693 -6.235 1.00 15.00 H new ATOM 0 HG2 ARG A 492 2.120 -7.345 -7.144 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.974 -6.290 -5.752 1.00 15.00 H new ATOM 0 HD2 ARG A 492 2.429 -8.143 -4.223 1.00 15.00 H new ATOM 0 HD3 ARG A 492 2.388 -9.298 -5.540 1.00 15.00 H new ATOM 0 HE ARG A 492 4.362 -7.403 -6.232 1.00 15.00 H new ATOM 0 HH11 ARG A 492 3.769 -9.792 -3.687 1.00 15.00 H new ATOM 0 HH12 ARG A 492 5.489 -10.050 -3.377 1.00 15.00 H new ATOM 0 HH21 ARG A 492 6.560 -7.771 -5.839 1.00 15.00 H new ATOM 0 HH22 ARG A 492 7.058 -8.914 -4.587 1.00 15.00 H new ATOM 243 N PRO A 493 -2.040 -5.116 -5.953 1.00 15.00 N ATOM 244 CA PRO A 493 -2.400 -3.822 -5.382 1.00 15.00 C ATOM 245 C PRO A 493 -2.233 -3.788 -3.864 1.00 15.00 C ATOM 246 O PRO A 493 -2.758 -4.643 -3.154 1.00 15.00 O ATOM 247 CB PRO A 493 -3.877 -3.698 -5.755 1.00 15.00 C ATOM 248 CG PRO A 493 -4.392 -5.104 -5.810 1.00 15.00 C ATOM 249 CD PRO A 493 -3.205 -6.013 -6.033 1.00 15.00 C ATOM 0 HA PRO A 493 -1.770 -3.013 -5.752 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.421 -3.109 -5.016 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -3.999 -3.197 -6.715 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -4.904 -5.362 -4.883 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.117 -5.216 -6.616 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.156 -6.797 -5.277 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.260 -6.508 -7.002 1.00 15.00 H new ATOM 257 N PHE A 494 -1.504 -2.799 -3.370 1.00 15.00 N ATOM 258 CA PHE A 494 -1.280 -2.676 -1.943 1.00 15.00 C ATOM 259 C PHE A 494 -1.545 -1.253 -1.450 1.00 15.00 C ATOM 260 O PHE A 494 -1.315 -0.270 -2.161 1.00 15.00 O ATOM 261 CB PHE A 494 0.143 -3.140 -1.564 1.00 15.00 C ATOM 262 CG PHE A 494 1.277 -2.499 -2.338 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.515 -1.133 -2.275 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.121 -3.279 -3.112 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.565 -0.558 -2.971 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.174 -2.709 -3.806 1.00 15.00 C ATOM 267 CZ PHE A 494 3.395 -1.348 -3.737 1.00 15.00 C ATOM 0 H PHE A 494 -1.061 -2.075 -3.935 1.00 15.00 H new ATOM 0 HA PHE A 494 -1.993 -3.331 -1.443 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.297 -2.944 -0.503 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.200 -4.220 -1.701 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.871 -0.509 -1.674 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.955 -4.344 -3.174 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.733 0.507 -2.914 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.825 -3.331 -4.403 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.215 -0.904 -4.281 1.00 15.00 H new ATOM 277 N PHE A 495 -2.052 -1.166 -0.231 1.00 15.00 N ATOM 278 CA PHE A 495 -2.245 0.099 0.454 1.00 15.00 C ATOM 279 C PHE A 495 -0.994 0.442 1.247 1.00 15.00 C ATOM 280 O PHE A 495 -0.559 -0.333 2.100 1.00 15.00 O ATOM 281 CB PHE A 495 -3.445 0.012 1.403 1.00 15.00 C ATOM 282 CG PHE A 495 -4.720 -0.383 0.719 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.419 0.537 -0.030 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.209 -1.675 0.817 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.588 0.187 -0.676 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.377 -2.036 0.175 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.068 -1.103 -0.574 1.00 15.00 C ATOM 0 H PHE A 495 -2.343 -1.978 0.314 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.436 0.876 -0.286 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.225 -0.710 2.189 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.586 0.978 1.888 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -5.047 1.548 -0.113 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.672 -2.407 1.401 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -7.125 0.920 -1.259 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.750 -3.046 0.258 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.981 -1.382 -1.078 1.00 15.00 H new ATOM 297 N ILE A 496 -0.410 1.589 0.951 1.00 15.00 N ATOM 298 CA ILE A 496 0.778 2.047 1.656 1.00 15.00 C ATOM 299 C ILE A 496 0.417 3.162 2.603 1.00 15.00 C ATOM 300 O ILE A 496 0.017 4.238 2.160 1.00 15.00 O ATOM 301 CB ILE A 496 1.872 2.604 0.711 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.012 1.764 -0.554 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.202 2.680 1.442 1.00 15.00 C ATOM 304 CD1 ILE A 496 1.108 2.220 -1.679 1.00 15.00 C ATOM 0 H ILE A 496 -0.739 2.224 0.224 1.00 15.00 H new ATOM 0 HA ILE A 496 1.168 1.172 2.176 1.00 15.00 H new ATOM 0 HB ILE A 496 1.568 3.606 0.407 1.00 15.00 H new ATOM 0 HG12 ILE A 496 3.048 1.799 -0.892 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.789 0.724 -0.317 1.00 15.00 H new ATOM 0 HG21 ILE A 496 3.965 3.073 0.770 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.106 3.338 2.305 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.491 1.684 1.776 1.00 15.00 H new ATOM 0 HD11 ILE A 496 1.258 1.580 -2.548 1.00 15.00 H new ATOM 0 HD12 ILE A 496 0.068 2.158 -1.358 1.00 15.00 H new ATOM 0 HD13 ILE A 496 1.346 3.251 -1.942 1.00 15.00 H new ATOM 316 N ASP A 497 0.554 2.942 3.897 1.00 15.00 N ATOM 317 CA ASP A 497 0.423 4.050 4.810 1.00 15.00 C ATOM 318 C ASP A 497 1.774 4.680 5.010 1.00 15.00 C ATOM 319 O ASP A 497 2.750 4.048 5.422 1.00 15.00 O ATOM 320 CB ASP A 497 -0.234 3.696 6.136 1.00 15.00 C ATOM 321 CG ASP A 497 0.701 3.762 7.323 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.923 4.880 7.849 1.00 15.00 O ATOM 323 OD2 ASP A 497 1.209 2.706 7.747 1.00 15.00 O1- ATOM 0 H ASP A 497 0.749 2.037 4.325 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.262 4.765 4.354 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.071 4.373 6.307 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -0.647 2.690 6.068 1.00 15.00 H new ATOM 328 N HIS A 498 1.816 5.926 4.653 1.00 15.00 N ATOM 329 CA HIS A 498 3.060 6.659 4.569 1.00 15.00 C ATOM 330 C HIS A 498 3.536 7.145 5.928 1.00 15.00 C ATOM 331 O HIS A 498 4.661 7.620 6.058 1.00 15.00 O ATOM 332 CB HIS A 498 2.940 7.795 3.559 1.00 15.00 C ATOM 333 CG HIS A 498 2.878 7.285 2.150 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.006 7.034 1.397 1.00 15.00 N ATOM 335 CD2 HIS A 498 1.823 6.905 1.382 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.654 6.519 0.235 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.336 6.433 0.197 1.00 15.00 N ATOM 0 H HIS A 498 0.991 6.473 4.409 1.00 15.00 H new ATOM 0 HA HIS A 498 3.829 5.973 4.213 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.045 8.379 3.774 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.792 8.467 3.665 1.00 15.00 H new ATOM 0 HD1 HIS A 498 4.965 7.218 1.693 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.779 6.963 1.652 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.329 6.218 -0.553 1.00 15.00 H new ATOM 346 N ASN A 499 2.685 7.028 6.943 1.00 15.00 N ATOM 347 CA ASN A 499 3.038 7.543 8.253 1.00 15.00 C ATOM 348 C ASN A 499 3.948 6.565 8.969 1.00 15.00 C ATOM 349 O ASN A 499 5.006 6.937 9.476 1.00 15.00 O ATOM 350 CB ASN A 499 1.780 7.748 9.104 1.00 15.00 C ATOM 351 CG ASN A 499 0.739 8.627 8.439 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.743 9.844 8.601 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.172 8.009 7.696 1.00 15.00 N ATOM 0 H ASN A 499 1.766 6.590 6.883 1.00 15.00 H new ATOM 0 HA ASN A 499 3.548 8.496 8.115 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.337 6.777 9.324 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.064 8.192 10.058 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.904 8.548 7.234 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.139 6.995 7.587 1.00 15.00 H new ATOM 360 N THR A 500 3.522 5.311 9.011 1.00 15.00 N ATOM 361 CA THR A 500 4.343 4.236 9.540 1.00 15.00 C ATOM 362 C THR A 500 5.357 3.737 8.515 1.00 15.00 C ATOM 363 O THR A 500 6.314 3.043 8.868 1.00 15.00 O ATOM 364 CB THR A 500 3.486 3.072 10.049 1.00 15.00 C ATOM 365 OG1 THR A 500 2.106 3.449 10.044 1.00 15.00 O ATOM 366 CG2 THR A 500 3.893 2.705 11.461 1.00 15.00 C ATOM 0 H THR A 500 2.604 5.013 8.681 1.00 15.00 H new ATOM 0 HA THR A 500 4.894 4.651 10.384 1.00 15.00 H new ATOM 0 HB THR A 500 3.636 2.214 9.394 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.619 2.900 9.395 1.00 15.00 H new ATOM 0 HG21 THR A 500 3.278 1.877 11.813 1.00 15.00 H new ATOM 0 HG22 THR A 500 4.942 2.408 11.472 1.00 15.00 H new ATOM 0 HG23 THR A 500 3.753 3.565 12.115 1.00 15.00 H new ATOM 374 N LYS A 501 5.116 4.080 7.241 1.00 15.00 N ATOM 375 CA LYS A 501 5.919 3.585 6.114 1.00 15.00 C ATOM 376 C LYS A 501 5.679 2.087 5.932 1.00 15.00 C ATOM 377 O LYS A 501 6.604 1.326 5.661 1.00 15.00 O ATOM 378 CB LYS A 501 7.417 3.851 6.335 1.00 15.00 C ATOM 379 CG LYS A 501 7.748 5.299 6.661 1.00 15.00 C ATOM 380 CD LYS A 501 7.569 6.224 5.468 1.00 15.00 C ATOM 381 CE LYS A 501 8.651 6.001 4.427 1.00 15.00 C ATOM 382 NZ LYS A 501 8.626 7.044 3.369 1.00 15.00 N1+ ATOM 0 H LYS A 501 4.361 4.707 6.964 1.00 15.00 H new ATOM 0 HA LYS A 501 5.611 4.119 5.215 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.772 3.216 7.147 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.963 3.557 5.439 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.111 5.638 7.478 1.00 15.00 H new ATOM 0 HG3 LYS A 501 8.778 5.362 7.013 1.00 15.00 H new ATOM 0 HD2 LYS A 501 6.590 6.056 5.019 1.00 15.00 H new ATOM 0 HD3 LYS A 501 7.592 7.261 5.803 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.627 6.000 4.912 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.520 5.019 3.972 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.380 6.856 2.678 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 7.704 7.029 2.888 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.777 7.979 3.799 1.00 15.00 H new ATOM 396 N THR A 502 4.419 1.677 6.051 1.00 15.00 N ATOM 397 CA THR A 502 4.067 0.261 6.038 1.00 15.00 C ATOM 398 C THR A 502 3.065 -0.059 4.923 1.00 15.00 C ATOM 399 O THR A 502 2.195 0.752 4.599 1.00 15.00 O ATOM 400 CB THR A 502 3.470 -0.157 7.398 1.00 15.00 C ATOM 401 OG1 THR A 502 4.309 0.321 8.459 1.00 15.00 O ATOM 402 CG2 THR A 502 3.340 -1.673 7.504 1.00 15.00 C ATOM 0 H THR A 502 3.624 2.307 6.158 1.00 15.00 H new ATOM 0 HA THR A 502 4.982 -0.301 5.851 1.00 15.00 H new ATOM 0 HB THR A 502 2.475 0.281 7.479 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.873 0.155 9.321 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.916 -1.935 8.474 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.686 -2.038 6.712 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.324 -2.131 7.402 1.00 15.00 H new ATOM 410 N THR A 503 3.209 -1.237 4.331 1.00 15.00 N ATOM 411 CA THR A 503 2.290 -1.712 3.311 1.00 15.00 C ATOM 412 C THR A 503 1.324 -2.747 3.894 1.00 15.00 C ATOM 413 O THR A 503 1.663 -3.464 4.836 1.00 15.00 O ATOM 414 CB THR A 503 3.074 -2.334 2.140 1.00 15.00 C ATOM 415 OG1 THR A 503 4.165 -3.113 2.652 1.00 15.00 O ATOM 416 CG2 THR A 503 3.611 -1.260 1.206 1.00 15.00 C ATOM 0 H THR A 503 3.965 -1.887 4.545 1.00 15.00 H new ATOM 0 HA THR A 503 1.713 -0.862 2.947 1.00 15.00 H new ATOM 0 HB THR A 503 2.394 -2.972 1.574 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.662 -3.510 1.906 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.160 -1.729 0.389 1.00 15.00 H new ATOM 0 HG22 THR A 503 2.781 -0.682 0.800 1.00 15.00 H new ATOM 0 HG23 THR A 503 4.278 -0.598 1.758 1.00 15.00 H new ATOM 424 N THR A 504 0.117 -2.807 3.347 1.00 15.00 N ATOM 425 CA THR A 504 -0.872 -3.780 3.784 1.00 15.00 C ATOM 426 C THR A 504 -1.780 -4.158 2.609 1.00 15.00 C ATOM 427 O THR A 504 -1.982 -3.355 1.691 1.00 15.00 O ATOM 428 CB THR A 504 -1.703 -3.239 4.979 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.101 -4.314 5.843 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.938 -2.486 4.510 1.00 15.00 C ATOM 0 H THR A 504 -0.200 -2.191 2.598 1.00 15.00 H new ATOM 0 HA THR A 504 -0.353 -4.674 4.129 1.00 15.00 H new ATOM 0 HB THR A 504 -1.065 -2.546 5.527 1.00 15.00 H new ATOM 0 HG1 THR A 504 -2.713 -4.910 5.363 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.493 -2.123 5.375 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.636 -1.641 3.892 1.00 15.00 H new ATOM 0 HG23 THR A 504 -3.572 -3.154 3.926 1.00 15.00 H new ATOM 438 N TRP A 505 -2.290 -5.385 2.618 1.00 15.00 N ATOM 439 CA TRP A 505 -3.111 -5.878 1.514 1.00 15.00 C ATOM 440 C TRP A 505 -4.590 -5.555 1.710 1.00 15.00 C ATOM 441 O TRP A 505 -5.308 -5.277 0.749 1.00 15.00 O ATOM 442 CB TRP A 505 -2.963 -7.392 1.356 1.00 15.00 C ATOM 443 CG TRP A 505 -1.604 -7.850 0.923 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.693 -8.535 1.672 1.00 15.00 C ATOM 445 CD2 TRP A 505 -1.013 -7.678 -0.369 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.423 -8.810 0.921 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.252 -8.289 -0.334 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.431 -7.066 -1.552 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.101 -8.308 -1.437 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.589 -7.088 -2.646 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.662 -7.707 -2.582 1.00 15.00 C ATOM 0 H TRP A 505 -2.151 -6.056 3.374 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.754 -5.371 0.617 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -3.205 -7.867 2.306 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.697 -7.740 0.629 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.830 -8.820 2.705 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.245 -9.319 1.245 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.396 -6.584 -1.610 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.071 -8.781 -1.389 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.903 -6.619 -3.567 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.295 -7.710 -3.457 1.00 15.00 H new ATOM 462 N GLU A 506 -5.046 -5.627 2.951 1.00 15.00 N ATOM 463 CA GLU A 506 -6.465 -5.503 3.254 1.00 15.00 C ATOM 464 C GLU A 506 -6.901 -4.063 3.344 1.00 15.00 C ATOM 465 O GLU A 506 -6.199 -3.206 3.881 1.00 15.00 O ATOM 466 CB GLU A 506 -6.821 -6.255 4.546 1.00 15.00 C ATOM 467 CG GLU A 506 -5.954 -5.903 5.749 1.00 15.00 C ATOM 468 CD GLU A 506 -4.645 -6.667 5.778 1.00 15.00 C ATOM 469 OE1 GLU A 506 -3.671 -6.223 5.133 1.00 15.00 O ATOM 470 OE2 GLU A 506 -4.581 -7.713 6.452 1.00 15.00 O1- ATOM 0 H GLU A 506 -4.452 -5.771 3.768 1.00 15.00 H new ATOM 0 HA GLU A 506 -7.008 -5.959 2.426 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -7.862 -6.050 4.794 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.742 -7.326 4.360 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -5.744 -4.833 5.738 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -6.510 -6.110 6.664 1.00 15.00 H new ATOM 477 N ASP A 507 -8.090 -3.821 2.818 1.00 15.00 N ATOM 478 CA ASP A 507 -8.647 -2.493 2.783 1.00 15.00 C ATOM 479 C ASP A 507 -9.082 -2.056 4.181 1.00 15.00 C ATOM 480 O ASP A 507 -9.872 -2.735 4.842 1.00 15.00 O ATOM 481 CB ASP A 507 -9.815 -2.418 1.790 1.00 15.00 C ATOM 482 CG ASP A 507 -10.882 -3.469 2.044 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.640 -4.651 1.718 1.00 15.00 O ATOM 484 OD2 ASP A 507 -11.971 -3.119 2.552 1.00 15.00 O1- ATOM 0 H ASP A 507 -8.687 -4.539 2.408 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.874 -1.805 2.440 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -10.268 -1.428 1.845 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.431 -2.536 0.777 1.00 15.00 H new ATOM 489 N PRO A 508 -8.558 -0.913 4.650 1.00 15.00 N ATOM 490 CA PRO A 508 -8.786 -0.433 6.012 1.00 15.00 C ATOM 491 C PRO A 508 -10.098 0.333 6.185 1.00 15.00 C ATOM 492 O PRO A 508 -10.502 0.625 7.311 1.00 15.00 O ATOM 493 CB PRO A 508 -7.593 0.493 6.237 1.00 15.00 C ATOM 494 CG PRO A 508 -7.318 1.068 4.889 1.00 15.00 C ATOM 495 CD PRO A 508 -7.674 -0.007 3.890 1.00 15.00 C ATOM 0 HA PRO A 508 -8.870 -1.256 6.721 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -7.825 1.272 6.963 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -6.731 -0.053 6.620 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -7.911 1.967 4.721 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.271 1.355 4.795 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -8.180 0.408 3.019 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.787 -0.525 3.526 1.00 15.00 H new ATOM 503 N ARG A 509 -10.747 0.674 5.077 1.00 15.00 N ATOM 504 CA ARG A 509 -11.985 1.446 5.118 1.00 15.00 C ATOM 505 C ARG A 509 -12.596 1.543 3.724 1.00 15.00 C ATOM 506 O ARG A 509 -13.444 0.690 3.390 1.00 15.00 O ATOM 507 CB ARG A 509 -11.729 2.848 5.684 1.00 15.00 C ATOM 508 CG ARG A 509 -12.988 3.683 5.856 1.00 15.00 C ATOM 509 CD ARG A 509 -12.683 5.026 6.499 1.00 15.00 C ATOM 510 NE ARG A 509 -13.867 5.879 6.597 1.00 15.00 N ATOM 511 CZ ARG A 509 -14.088 6.737 7.591 1.00 15.00 C ATOM 512 NH1 ARG A 509 -13.257 6.791 8.627 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -15.159 7.523 7.562 1.00 15.00 N ATOM 0 H ARG A 509 -10.436 0.428 4.137 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.688 0.932 5.774 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -11.233 2.754 6.650 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -11.042 3.376 5.023 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -13.456 3.842 4.884 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -13.705 3.139 6.470 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -12.272 4.864 7.495 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -11.916 5.538 5.918 1.00 15.00 H new ATOM 0 HE ARG A 509 -14.567 5.813 5.858 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -12.446 6.174 8.663 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -13.430 7.450 9.386 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -15.810 7.469 6.779 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -15.330 8.181 8.323 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -0.994 -17.839 3.042 1.00 15.00 N ATOM 529 CA ARG B 925 -0.673 -16.426 3.344 1.00 15.00 C ATOM 530 C ARG B 925 -0.147 -15.715 2.101 1.00 15.00 C ATOM 531 O ARG B 925 0.800 -16.182 1.464 1.00 15.00 O ATOM 532 CB ARG B 925 0.377 -16.355 4.455 1.00 15.00 C ATOM 533 CG ARG B 925 0.747 -14.940 4.867 1.00 15.00 C ATOM 534 CD ARG B 925 1.898 -14.949 5.856 1.00 15.00 C ATOM 535 NE ARG B 925 3.079 -15.604 5.296 1.00 15.00 N ATOM 536 CZ ARG B 925 3.911 -16.372 5.996 1.00 15.00 C ATOM 537 NH1 ARG B 925 3.695 -16.585 7.289 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 4.954 -16.936 5.397 1.00 15.00 N ATOM 0 HA ARG B 925 -1.586 -15.930 3.673 1.00 15.00 H new ATOM 0 HB2 ARG B 925 0.004 -16.891 5.328 1.00 15.00 H new ATOM 0 HB3 ARG B 925 1.277 -16.873 4.124 1.00 15.00 H new ATOM 0 HG2 ARG B 925 1.023 -14.361 3.986 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -0.118 -14.449 5.313 1.00 15.00 H new ATOM 0 HD2 ARG B 925 2.147 -13.925 6.136 1.00 15.00 H new ATOM 0 HD3 ARG B 925 1.593 -15.464 6.767 1.00 15.00 H new ATOM 0 HE ARG B 925 3.278 -15.464 4.306 1.00 15.00 H new ATOM 0 HH11 ARG B 925 2.890 -16.160 7.748 1.00 15.00 H new ATOM 0 HH12 ARG B 925 4.334 -17.174 7.823 1.00 15.00 H new ATOM 0 HH21 ARG B 925 5.116 -16.780 4.402 1.00 15.00 H new ATOM 0 HH22 ARG B 925 5.592 -17.525 5.932 1.00 15.00 H new ATOM 554 N LEU B 926 -0.751 -14.583 1.769 1.00 15.00 N ATOM 555 CA LEU B 926 -0.300 -13.776 0.644 1.00 15.00 C ATOM 556 C LEU B 926 0.978 -13.044 1.035 1.00 15.00 C ATOM 557 O LEU B 926 1.009 -12.335 2.040 1.00 15.00 O ATOM 558 CB LEU B 926 -1.388 -12.777 0.239 1.00 15.00 C ATOM 559 CG LEU B 926 -1.104 -11.974 -1.032 1.00 15.00 C ATOM 560 CD1 LEU B 926 -0.916 -12.900 -2.224 1.00 15.00 C ATOM 561 CD2 LEU B 926 -2.234 -10.993 -1.297 1.00 15.00 C ATOM 0 H LEU B 926 -1.557 -14.202 2.264 1.00 15.00 H new ATOM 0 HA LEU B 926 -0.097 -14.422 -0.210 1.00 15.00 H new ATOM 0 HB2 LEU B 926 -2.323 -13.320 0.103 1.00 15.00 H new ATOM 0 HB3 LEU B 926 -1.541 -12.079 1.062 1.00 15.00 H new ATOM 0 HG LEU B 926 -0.180 -11.414 -0.886 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -0.715 -12.308 -3.117 1.00 15.00 H new ATOM 0 HD12 LEU B 926 -0.076 -13.569 -2.036 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -1.822 -13.488 -2.375 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -2.020 -10.428 -2.204 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -3.169 -11.540 -1.422 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -2.325 -10.307 -0.455 1.00 15.00 H new ATOM 573 N ASP B 927 2.029 -13.219 0.244 1.00 15.00 N ATOM 574 CA ASP B 927 3.337 -12.677 0.590 1.00 15.00 C ATOM 575 C ASP B 927 3.344 -11.161 0.488 1.00 15.00 C ATOM 576 O ASP B 927 3.103 -10.596 -0.579 1.00 15.00 O ATOM 577 CB ASP B 927 4.425 -13.262 -0.320 1.00 15.00 C ATOM 578 CG ASP B 927 4.493 -14.773 -0.254 1.00 15.00 C ATOM 579 OD1 ASP B 927 5.175 -15.309 0.647 1.00 15.00 O ATOM 580 OD2 ASP B 927 3.862 -15.436 -1.105 1.00 15.00 O1- ATOM 0 H ASP B 927 2.002 -13.730 -0.638 1.00 15.00 H new ATOM 0 HA ASP B 927 3.548 -12.958 1.622 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.236 -12.956 -1.349 1.00 15.00 H new ATOM 0 HB3 ASP B 927 5.392 -12.846 -0.037 1.00 15.00 H new ATOM 585 N LEU B 928 3.625 -10.509 1.601 1.00 15.00 N ATOM 586 CA LEU B 928 3.741 -9.062 1.634 1.00 15.00 C ATOM 587 C LEU B 928 5.204 -8.663 1.516 1.00 15.00 C ATOM 588 O LEU B 928 6.023 -9.052 2.349 1.00 15.00 O ATOM 589 CB LEU B 928 3.152 -8.514 2.939 1.00 15.00 C ATOM 590 CG LEU B 928 3.252 -6.996 3.130 1.00 15.00 C ATOM 591 CD1 LEU B 928 2.420 -6.260 2.089 1.00 15.00 C ATOM 592 CD2 LEU B 928 2.812 -6.611 4.535 1.00 15.00 C ATOM 0 H LEU B 928 3.778 -10.963 2.502 1.00 15.00 H new ATOM 0 HA LEU B 928 3.185 -8.641 0.796 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.101 -8.799 2.989 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.655 -9.000 3.775 1.00 15.00 H new ATOM 0 HG LEU B 928 4.293 -6.703 2.997 1.00 15.00 H new ATOM 0 HD11 LEU B 928 2.508 -5.185 2.247 1.00 15.00 H new ATOM 0 HD12 LEU B 928 2.780 -6.511 1.091 1.00 15.00 H new ATOM 0 HD13 LEU B 928 1.375 -6.556 2.183 1.00 15.00 H new ATOM 0 HD21 LEU B 928 2.888 -5.531 4.657 1.00 15.00 H new ATOM 0 HD22 LEU B 928 1.779 -6.922 4.691 1.00 15.00 H new ATOM 0 HD23 LEU B 928 3.453 -7.104 5.265 1.00 15.00 H new ATOM 604 N PRO B 929 5.558 -7.900 0.473 1.00 15.00 N ATOM 605 CA PRO B 929 6.925 -7.423 0.293 1.00 15.00 C ATOM 606 C PRO B 929 7.265 -6.299 1.267 1.00 15.00 C ATOM 607 O PRO B 929 6.504 -5.335 1.397 1.00 15.00 O ATOM 608 CB PRO B 929 6.932 -6.911 -1.149 1.00 15.00 C ATOM 609 CG PRO B 929 5.525 -6.499 -1.407 1.00 15.00 C ATOM 610 CD PRO B 929 4.662 -7.443 -0.611 1.00 15.00 C ATOM 0 HA PRO B 929 7.666 -8.200 0.482 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.619 -6.073 -1.269 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.252 -7.687 -1.844 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.359 -5.466 -1.101 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.290 -6.558 -2.470 1.00 15.00 H new ATOM 0 HD2 PRO B 929 3.778 -6.942 -0.216 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.311 -8.276 -1.220 1.00 15.00 H new ATOM 618 N PRO B 930 8.402 -6.421 1.979 1.00 15.00 N ATOM 619 CA PRO B 930 8.901 -5.362 2.859 1.00 15.00 C ATOM 620 C PRO B 930 8.965 -4.036 2.117 1.00 15.00 C ATOM 621 O PRO B 930 9.417 -3.990 0.968 1.00 15.00 O ATOM 622 CB PRO B 930 10.304 -5.843 3.232 1.00 15.00 C ATOM 623 CG PRO B 930 10.244 -7.325 3.100 1.00 15.00 C ATOM 624 CD PRO B 930 9.285 -7.601 1.975 1.00 15.00 C ATOM 0 HA PRO B 930 8.265 -5.192 3.728 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.058 -5.417 2.570 1.00 15.00 H new ATOM 0 HB3 PRO B 930 10.567 -5.546 4.247 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.229 -7.738 2.883 1.00 15.00 H new ATOM 0 HG3 PRO B 930 9.902 -7.786 4.027 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.804 -7.711 1.023 1.00 15.00 H new ATOM 0 HD3 PRO B 930 8.726 -8.522 2.141 1.00 15.00 H new ATOM 632 N TYR B 931 8.522 -2.968 2.771 1.00 15.00 N ATOM 633 CA TYR B 931 8.312 -1.691 2.101 1.00 15.00 C ATOM 634 C TYR B 931 9.559 -1.221 1.353 1.00 15.00 C ATOM 635 O TYR B 931 10.630 -1.014 1.932 1.00 15.00 O ATOM 636 CB TYR B 931 7.871 -0.645 3.138 1.00 15.00 C ATOM 637 CG TYR B 931 7.743 0.776 2.616 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.773 1.129 1.681 1.00 15.00 C ATOM 639 CD2 TYR B 931 8.587 1.776 3.085 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.657 2.432 1.230 1.00 15.00 C ATOM 641 CE2 TYR B 931 8.477 3.074 2.637 1.00 15.00 C ATOM 642 CZ TYR B 931 7.513 3.399 1.712 1.00 15.00 C ATOM 643 OH TYR B 931 7.400 4.699 1.272 1.00 15.00 O ATOM 0 H TYR B 931 8.301 -2.962 3.767 1.00 15.00 H new ATOM 0 HA TYR B 931 7.530 -1.821 1.352 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.910 -0.950 3.551 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.587 -0.649 3.960 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.101 0.374 1.302 1.00 15.00 H new ATOM 0 HD2 TYR B 931 9.344 1.530 3.815 1.00 15.00 H new ATOM 0 HE1 TYR B 931 5.900 2.690 0.504 1.00 15.00 H new ATOM 0 HE2 TYR B 931 9.146 3.834 3.011 1.00 15.00 H new ATOM 0 HH TYR B 931 6.466 4.886 1.039 1.00 15.00 H new ATOM 653 N GLU B 932 9.382 -1.081 0.050 1.00 15.00 N ATOM 654 CA GLU B 932 10.342 -0.439 -0.829 1.00 15.00 C ATOM 655 C GLU B 932 9.741 0.878 -1.263 1.00 15.00 C ATOM 656 O GLU B 932 8.514 1.008 -1.274 1.00 15.00 O ATOM 657 CB GLU B 932 10.606 -1.312 -2.061 1.00 15.00 C ATOM 658 CG GLU B 932 11.200 -2.675 -1.745 1.00 15.00 C ATOM 659 CD GLU B 932 12.628 -2.592 -1.253 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.543 -2.464 -2.096 1.00 15.00 O ATOM 661 OE2 GLU B 932 12.847 -2.662 -0.025 1.00 15.00 O1- ATOM 0 H GLU B 932 8.550 -1.417 -0.435 1.00 15.00 H new ATOM 0 HA GLU B 932 11.289 -0.289 -0.311 1.00 15.00 H new ATOM 0 HB2 GLU B 932 9.669 -1.453 -2.600 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.282 -0.780 -2.731 1.00 15.00 H new ATOM 0 HG2 GLU B 932 10.588 -3.167 -0.989 1.00 15.00 H new ATOM 0 HG3 GLU B 932 11.164 -3.298 -2.639 1.00 15.00 H new ATOM 668 N THR B 933 10.541 1.848 -1.654 1.00 15.00 N ATOM 669 CA THR B 933 9.940 3.060 -2.147 1.00 15.00 C ATOM 670 C THR B 933 9.603 2.915 -3.623 1.00 15.00 C ATOM 671 O THR B 933 10.462 2.675 -4.471 1.00 15.00 O ATOM 672 CB THR B 933 10.803 4.313 -1.928 1.00 15.00 C ATOM 673 OG1 THR B 933 11.274 4.356 -0.574 1.00 15.00 O ATOM 674 CG2 THR B 933 9.972 5.563 -2.218 1.00 15.00 C ATOM 0 H THR B 933 11.561 1.824 -1.641 1.00 15.00 H new ATOM 0 HA THR B 933 9.031 3.206 -1.564 1.00 15.00 H new ATOM 0 HB THR B 933 11.659 4.277 -2.602 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.824 5.157 -0.444 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.584 6.451 -2.063 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.625 5.538 -3.251 1.00 15.00 H new ATOM 0 HG23 THR B 933 9.113 5.593 -1.547 1.00 15.00 H new ATOM 682 N PHE B 934 8.326 3.052 -3.881 1.00 15.00 N ATOM 683 CA PHE B 934 7.755 3.088 -5.207 1.00 15.00 C ATOM 684 C PHE B 934 7.628 4.555 -5.602 1.00 15.00 C ATOM 685 O PHE B 934 8.043 5.425 -4.835 1.00 15.00 O ATOM 686 CB PHE B 934 6.391 2.389 -5.221 1.00 15.00 C ATOM 687 CG PHE B 934 5.345 3.192 -4.526 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.297 3.254 -3.145 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.450 3.936 -5.260 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.361 4.041 -2.517 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.526 4.731 -4.642 1.00 15.00 C ATOM 692 CZ PHE B 934 3.480 4.784 -3.272 1.00 15.00 C ATOM 0 H PHE B 934 7.627 3.145 -3.144 1.00 15.00 H new ATOM 0 HA PHE B 934 8.389 2.560 -5.920 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.086 2.211 -6.252 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.478 1.414 -4.741 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.999 2.681 -2.557 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.478 3.891 -6.339 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.317 4.077 -1.439 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.834 5.316 -5.230 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.750 5.411 -2.783 1.00 15.00 H new ATOM 702 N GLU B 935 7.096 4.827 -6.785 1.00 15.00 N ATOM 703 CA GLU B 935 6.991 6.192 -7.294 1.00 15.00 C ATOM 704 C GLU B 935 6.406 7.136 -6.235 1.00 15.00 C ATOM 705 O GLU B 935 5.300 6.936 -5.730 1.00 15.00 O ATOM 706 CB GLU B 935 6.088 6.210 -8.534 1.00 15.00 C ATOM 707 CG GLU B 935 4.775 5.444 -8.357 1.00 15.00 C ATOM 708 CD GLU B 935 4.922 3.946 -8.602 1.00 15.00 C ATOM 709 OE1 GLU B 935 6.019 3.507 -9.013 1.00 15.00 O ATOM 710 OE2 GLU B 935 3.939 3.202 -8.386 1.00 15.00 O1- ATOM 0 H GLU B 935 6.727 4.116 -7.417 1.00 15.00 H new ATOM 0 HA GLU B 935 7.993 6.535 -7.551 1.00 15.00 H new ATOM 0 HB2 GLU B 935 5.862 7.245 -8.791 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.635 5.785 -9.376 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.399 5.606 -7.347 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.030 5.847 -9.043 1.00 15.00 H new ATOM 717 N ASP B 936 7.188 8.160 -5.911 1.00 15.00 N ATOM 718 CA ASP B 936 6.914 9.038 -4.776 1.00 15.00 C ATOM 719 C ASP B 936 5.557 9.722 -4.884 1.00 15.00 C ATOM 720 O ASP B 936 5.165 10.200 -5.953 1.00 15.00 O ATOM 721 CB ASP B 936 8.020 10.084 -4.657 1.00 15.00 C ATOM 722 CG ASP B 936 7.836 11.000 -3.464 1.00 15.00 C ATOM 723 OD1 ASP B 936 7.987 10.530 -2.314 1.00 15.00 O ATOM 724 OD2 ASP B 936 7.578 12.205 -3.674 1.00 15.00 O1- ATOM 0 H ASP B 936 8.032 8.406 -6.428 1.00 15.00 H new ATOM 0 HA ASP B 936 6.889 8.418 -3.880 1.00 15.00 H new ATOM 0 HB2 ASP B 936 8.983 9.580 -4.577 1.00 15.00 H new ATOM 0 HB3 ASP B 936 8.048 10.682 -5.568 1.00 15.00 H new ATOM 729 N LEU B 937 4.867 9.787 -3.750 1.00 15.00 N ATOM 730 CA LEU B 937 3.544 10.392 -3.663 1.00 15.00 C ATOM 731 C LEU B 937 3.625 11.877 -4.015 1.00 15.00 C ATOM 732 O LEU B 937 3.182 12.303 -5.080 1.00 15.00 O ATOM 733 CB LEU B 937 2.990 10.209 -2.240 1.00 15.00 C ATOM 734 CG LEU B 937 1.463 10.082 -2.114 1.00 15.00 C ATOM 735 CD1 LEU B 937 1.071 9.883 -0.659 1.00 15.00 C ATOM 736 CD2 LEU B 937 0.748 11.300 -2.689 1.00 15.00 C ATOM 0 H LEU B 937 5.211 9.420 -2.863 1.00 15.00 H new ATOM 0 HA LEU B 937 2.874 9.904 -4.371 1.00 15.00 H new ATOM 0 HB2 LEU B 937 3.444 9.317 -1.808 1.00 15.00 H new ATOM 0 HB3 LEU B 937 3.314 11.056 -1.635 1.00 15.00 H new ATOM 0 HG LEU B 937 1.154 9.211 -2.692 1.00 15.00 H new ATOM 0 HD11 LEU B 937 -0.013 9.794 -0.583 1.00 15.00 H new ATOM 0 HD12 LEU B 937 1.537 8.974 -0.278 1.00 15.00 H new ATOM 0 HD13 LEU B 937 1.407 10.737 -0.071 1.00 15.00 H new ATOM 0 HD21 LEU B 937 -0.329 11.174 -2.582 1.00 15.00 H new ATOM 0 HD22 LEU B 937 1.064 12.194 -2.152 1.00 15.00 H new ATOM 0 HD23 LEU B 937 0.998 11.404 -3.745 1.00 15.00 H new HETATM 748 N NH2 B 938 4.183 12.663 -3.107 1.00 15.00 N TER 751 NH2 B 938