USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 303 hydrogens (0 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: B 931 TYR OH : rot 150:sc= 0.567 USER MOD Set 1.2: B 933 THR OG1 : rot -68:sc= 1.41 USER MOD Set 2.1: A 499 ASN : amide:sc= -0.971 K(o=0.28,f=-1.5) USER MOD Set 2.2: A 500 THR OG1 : rot 43:sc= 1.25 USER MOD Single : A 485 MET CE :methyl -130:sc= -0.271 (180deg=-2.11!) USER MOD Single : A 490 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 498 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-1.9) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.0962 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -9.474 9.123 0.085 1.00 15.00 N ATOM 22 CA LEU A 479 -8.404 8.248 0.526 1.00 15.00 C ATOM 23 C LEU A 479 -7.592 8.953 1.607 1.00 15.00 C ATOM 24 O LEU A 479 -7.072 10.047 1.375 1.00 15.00 O ATOM 25 CB LEU A 479 -7.525 7.859 -0.668 1.00 15.00 C ATOM 26 CG LEU A 479 -6.525 6.724 -0.422 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.238 5.470 0.067 1.00 15.00 C ATOM 28 CD2 LEU A 479 -5.756 6.427 -1.699 1.00 15.00 C ATOM 0 HA LEU A 479 -8.820 7.333 0.948 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -8.175 7.572 -1.494 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.972 8.741 -0.990 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.825 7.041 0.352 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -6.508 4.678 0.235 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.758 5.688 1.000 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.959 5.146 -0.683 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -5.047 5.619 -1.517 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -6.453 6.129 -2.482 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -5.216 7.320 -2.015 1.00 15.00 H new ATOM 40 N PRO A 480 -7.505 8.354 2.808 1.00 15.00 N ATOM 41 CA PRO A 480 -6.812 8.949 3.961 1.00 15.00 C ATOM 42 C PRO A 480 -5.395 9.411 3.631 1.00 15.00 C ATOM 43 O PRO A 480 -4.673 8.745 2.886 1.00 15.00 O ATOM 44 CB PRO A 480 -6.782 7.793 4.961 1.00 15.00 C ATOM 45 CG PRO A 480 -7.999 7.015 4.646 1.00 15.00 C ATOM 46 CD PRO A 480 -8.077 7.036 3.150 1.00 15.00 C ATOM 0 HA PRO A 480 -7.311 9.848 4.323 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.882 7.189 4.846 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.794 8.154 5.989 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.929 5.996 5.026 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.885 7.463 5.097 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.507 6.221 2.704 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.104 6.937 2.798 1.00 15.00 H new ATOM 54 N PRO A 481 -4.984 10.559 4.192 1.00 15.00 N ATOM 55 CA PRO A 481 -3.647 11.117 3.989 1.00 15.00 C ATOM 56 C PRO A 481 -2.551 10.108 4.308 1.00 15.00 C ATOM 57 O PRO A 481 -2.447 9.609 5.430 1.00 15.00 O ATOM 58 CB PRO A 481 -3.582 12.304 4.960 1.00 15.00 C ATOM 59 CG PRO A 481 -4.757 12.145 5.866 1.00 15.00 C ATOM 60 CD PRO A 481 -5.794 11.409 5.071 1.00 15.00 C ATOM 0 HA PRO A 481 -3.486 11.404 2.950 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -2.649 12.299 5.523 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -3.626 13.252 4.424 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -4.486 11.589 6.763 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.132 13.115 6.193 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.451 10.820 5.710 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -6.428 12.090 4.504 1.00 15.00 H new ATOM 68 N GLY A 482 -1.750 9.802 3.308 1.00 15.00 N ATOM 69 CA GLY A 482 -0.694 8.835 3.471 1.00 15.00 C ATOM 70 C GLY A 482 -1.056 7.480 2.921 1.00 15.00 C ATOM 71 O GLY A 482 -0.183 6.661 2.691 1.00 15.00 O ATOM 0 H GLY A 482 -1.813 10.211 2.376 1.00 15.00 H new ATOM 0 HA2 GLY A 482 0.205 9.197 2.972 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.454 8.740 4.530 1.00 15.00 H new ATOM 75 N TRP A 483 -2.330 7.233 2.698 1.00 15.00 N ATOM 76 CA TRP A 483 -2.750 5.948 2.169 1.00 15.00 C ATOM 77 C TRP A 483 -2.763 5.994 0.660 1.00 15.00 C ATOM 78 O TRP A 483 -3.314 6.912 0.060 1.00 15.00 O ATOM 79 CB TRP A 483 -4.119 5.554 2.716 1.00 15.00 C ATOM 80 CG TRP A 483 -4.060 5.162 4.157 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.063 6.003 5.231 1.00 15.00 C ATOM 82 CD2 TRP A 483 -3.966 3.831 4.684 1.00 15.00 C ATOM 83 NE1 TRP A 483 -3.980 5.281 6.396 1.00 15.00 N ATOM 84 CE2 TRP A 483 -3.921 3.943 6.087 1.00 15.00 C ATOM 85 CE3 TRP A 483 -3.918 2.554 4.107 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -3.831 2.829 6.919 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.827 1.455 4.934 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.785 1.597 6.327 1.00 15.00 C ATOM 0 H TRP A 483 -3.086 7.895 2.872 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.037 5.188 2.489 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.810 6.388 2.596 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.517 4.724 2.132 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.122 7.080 5.173 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.965 5.674 7.337 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.952 2.434 3.034 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -3.799 2.935 7.993 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.787 0.467 4.500 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.715 0.715 6.946 1.00 15.00 H new ATOM 99 N GLU A 484 -2.134 5.005 0.061 1.00 15.00 N ATOM 100 CA GLU A 484 -1.969 4.968 -1.372 1.00 15.00 C ATOM 101 C GLU A 484 -2.326 3.600 -1.926 1.00 15.00 C ATOM 102 O GLU A 484 -1.917 2.573 -1.383 1.00 15.00 O ATOM 103 CB GLU A 484 -0.526 5.303 -1.717 1.00 15.00 C ATOM 104 CG GLU A 484 -0.379 6.573 -2.523 1.00 15.00 C ATOM 105 CD GLU A 484 -1.184 6.546 -3.806 1.00 15.00 C ATOM 106 OE1 GLU A 484 -0.738 5.904 -4.777 1.00 15.00 O1- ATOM 107 OE2 GLU A 484 -2.271 7.156 -3.845 1.00 15.00 O ATOM 0 H GLU A 484 -1.726 4.210 0.552 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.639 5.701 -1.821 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.047 5.399 -0.795 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.093 4.474 -2.277 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.696 7.422 -1.917 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.673 6.727 -2.762 1.00 15.00 H new ATOM 114 N MET A 485 -3.068 3.600 -3.017 1.00 15.00 N ATOM 115 CA MET A 485 -3.454 2.370 -3.688 1.00 15.00 C ATOM 116 C MET A 485 -2.550 2.134 -4.882 1.00 15.00 C ATOM 117 O MET A 485 -2.661 2.802 -5.910 1.00 15.00 O ATOM 118 CB MET A 485 -4.918 2.421 -4.128 1.00 15.00 C ATOM 119 CG MET A 485 -5.872 2.474 -2.968 1.00 15.00 C ATOM 120 SD MET A 485 -7.604 2.551 -3.470 1.00 15.00 S ATOM 121 CE MET A 485 -7.645 4.133 -4.310 1.00 15.00 C ATOM 0 H MET A 485 -3.420 4.447 -3.463 1.00 15.00 H new ATOM 0 HA MET A 485 -3.345 1.543 -2.987 1.00 15.00 H new ATOM 0 HB2 MET A 485 -5.073 3.295 -4.760 1.00 15.00 H new ATOM 0 HB3 MET A 485 -5.141 1.544 -4.736 1.00 15.00 H new ATOM 0 HG2 MET A 485 -5.721 1.594 -2.342 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.640 3.345 -2.355 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.477 4.726 -3.929 1.00 15.00 H new ATOM 0 HE2 MET A 485 -6.710 4.664 -4.132 1.00 15.00 H new ATOM 0 HE3 MET A 485 -7.774 3.973 -5.381 1.00 15.00 H new ATOM 131 N ARG A 486 -1.643 1.197 -4.727 1.00 15.00 N ATOM 132 CA ARG A 486 -0.600 0.973 -5.714 1.00 15.00 C ATOM 133 C ARG A 486 -0.474 -0.501 -6.028 1.00 15.00 C ATOM 134 O ARG A 486 -0.729 -1.346 -5.175 1.00 15.00 O ATOM 135 CB ARG A 486 0.726 1.520 -5.192 1.00 15.00 C ATOM 136 CG ARG A 486 0.747 3.033 -5.095 1.00 15.00 C ATOM 137 CD ARG A 486 0.810 3.673 -6.472 1.00 15.00 C ATOM 138 NE ARG A 486 2.075 3.375 -7.141 1.00 15.00 N ATOM 139 CZ ARG A 486 2.290 3.531 -8.445 1.00 15.00 C ATOM 140 NH1 ARG A 486 1.344 4.022 -9.234 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 3.467 3.223 -8.960 1.00 15.00 N ATOM 0 H ARG A 486 -1.603 0.571 -3.922 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.865 1.495 -6.633 1.00 15.00 H new ATOM 0 HB2 ARG A 486 0.925 1.096 -4.208 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.532 1.193 -5.849 1.00 15.00 H new ATOM 0 HG2 ARG A 486 -0.144 3.379 -4.571 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.607 3.350 -4.504 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.019 3.312 -7.081 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.691 4.753 -6.379 1.00 15.00 H new ATOM 0 HE ARG A 486 2.844 3.024 -6.570 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.439 4.285 -8.843 1.00 15.00 H new ATOM 0 HH12 ARG A 486 1.521 4.137 -10.232 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.209 2.866 -8.358 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.633 3.342 -9.959 1.00 15.00 H new ATOM 155 N ILE A 487 -0.067 -0.812 -7.247 1.00 15.00 N ATOM 156 CA ILE A 487 0.037 -2.196 -7.665 1.00 15.00 C ATOM 157 C ILE A 487 1.488 -2.589 -7.888 1.00 15.00 C ATOM 158 O ILE A 487 2.323 -1.760 -8.261 1.00 15.00 O ATOM 159 CB ILE A 487 -0.794 -2.483 -8.945 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.334 -1.623 -10.130 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.273 -2.261 -8.679 1.00 15.00 C ATOM 162 CD1 ILE A 487 0.724 -2.281 -10.993 1.00 15.00 C ATOM 0 H ILE A 487 0.195 -0.129 -7.958 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.375 -2.801 -6.857 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.631 -3.527 -9.211 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -1.198 -1.385 -10.750 1.00 15.00 H new ATOM 0 HG13 ILE A 487 0.056 -0.679 -9.751 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.841 -2.467 -9.586 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.604 -2.930 -7.884 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.437 -1.227 -8.375 1.00 15.00 H new ATOM 0 HD11 ILE A 487 0.997 -1.611 -11.809 1.00 15.00 H new ATOM 0 HD12 ILE A 487 1.606 -2.494 -10.389 1.00 15.00 H new ATOM 0 HD13 ILE A 487 0.332 -3.211 -11.403 1.00 15.00 H new ATOM 174 N ALA A 488 1.785 -3.843 -7.619 1.00 15.00 N ATOM 175 CA ALA A 488 3.079 -4.410 -7.937 1.00 15.00 C ATOM 176 C ALA A 488 3.034 -4.999 -9.341 1.00 15.00 C ATOM 177 O ALA A 488 1.971 -5.430 -9.789 1.00 15.00 O ATOM 178 CB ALA A 488 3.463 -5.465 -6.913 1.00 15.00 C ATOM 0 H ALA A 488 1.139 -4.496 -7.175 1.00 15.00 H new ATOM 0 HA ALA A 488 3.839 -3.629 -7.905 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.438 -5.881 -7.167 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.509 -5.011 -5.923 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.718 -6.261 -6.913 1.00 15.00 H new ATOM 184 N PRO A 489 4.172 -5.016 -10.061 1.00 15.00 N ATOM 185 CA PRO A 489 4.240 -5.498 -11.455 1.00 15.00 C ATOM 186 C PRO A 489 3.781 -6.951 -11.632 1.00 15.00 C ATOM 187 O PRO A 489 3.737 -7.466 -12.749 1.00 15.00 O ATOM 188 CB PRO A 489 5.725 -5.364 -11.813 1.00 15.00 C ATOM 189 CG PRO A 489 6.265 -4.362 -10.853 1.00 15.00 C ATOM 190 CD PRO A 489 5.485 -4.544 -9.584 1.00 15.00 C ATOM 0 HA PRO A 489 3.570 -4.924 -12.095 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.241 -6.319 -11.718 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.854 -5.033 -12.843 1.00 15.00 H new ATOM 0 HG2 PRO A 489 7.330 -4.519 -10.682 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.150 -3.349 -11.240 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.957 -5.269 -8.921 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.400 -3.611 -9.026 1.00 15.00 H new ATOM 198 N ASN A 490 3.447 -7.608 -10.531 1.00 15.00 N ATOM 199 CA ASN A 490 2.938 -8.972 -10.577 1.00 15.00 C ATOM 200 C ASN A 490 1.406 -8.970 -10.584 1.00 15.00 C ATOM 201 O ASN A 490 0.767 -10.013 -10.704 1.00 15.00 O ATOM 202 CB ASN A 490 3.491 -9.780 -9.395 1.00 15.00 C ATOM 203 CG ASN A 490 3.054 -11.235 -9.409 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.132 -11.626 -8.692 1.00 15.00 O ATOM 205 ND2 ASN A 490 3.699 -12.040 -10.238 1.00 15.00 N ATOM 0 H ASN A 490 3.519 -7.217 -9.592 1.00 15.00 H new ATOM 0 HA ASN A 490 3.274 -9.448 -11.499 1.00 15.00 H new ATOM 0 HB2 ASN A 490 4.580 -9.734 -9.409 1.00 15.00 H new ATOM 0 HB3 ASN A 490 3.165 -9.318 -8.463 1.00 15.00 H new ATOM 0 HD21 ASN A 490 3.438 -13.024 -10.300 1.00 15.00 H new ATOM 0 HD22 ASN A 490 4.457 -11.676 -10.815 1.00 15.00 H new ATOM 212 N GLY A 491 0.820 -7.784 -10.473 1.00 15.00 N ATOM 213 CA GLY A 491 -0.625 -7.658 -10.539 1.00 15.00 C ATOM 214 C GLY A 491 -1.278 -7.632 -9.171 1.00 15.00 C ATOM 215 O GLY A 491 -2.498 -7.747 -9.056 1.00 15.00 O ATOM 0 H GLY A 491 1.320 -6.905 -10.338 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.881 -6.744 -11.076 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -1.031 -8.490 -11.114 1.00 15.00 H new ATOM 219 N ARG A 492 -0.468 -7.474 -8.134 1.00 15.00 N ATOM 220 CA ARG A 492 -0.977 -7.432 -6.768 1.00 15.00 C ATOM 221 C ARG A 492 -1.116 -5.993 -6.271 1.00 15.00 C ATOM 222 O ARG A 492 -0.140 -5.244 -6.236 1.00 15.00 O ATOM 223 CB ARG A 492 -0.079 -8.234 -5.817 1.00 15.00 C ATOM 224 CG ARG A 492 1.411 -8.151 -6.124 1.00 15.00 C ATOM 225 CD ARG A 492 2.222 -9.051 -5.198 1.00 15.00 C ATOM 226 NE ARG A 492 3.644 -9.083 -5.553 1.00 15.00 N ATOM 227 CZ ARG A 492 4.583 -9.714 -4.839 1.00 15.00 C ATOM 228 NH1 ARG A 492 4.271 -10.319 -3.701 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 5.841 -9.726 -5.262 1.00 15.00 N ATOM 0 H ARG A 492 0.544 -7.373 -8.211 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.966 -7.889 -6.778 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -0.246 -7.882 -4.799 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -0.384 -9.280 -5.847 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.587 -8.440 -7.160 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.749 -7.120 -6.019 1.00 15.00 H new ATOM 0 HD2 ARG A 492 2.115 -8.702 -4.171 1.00 15.00 H new ATOM 0 HD3 ARG A 492 1.818 -10.063 -5.234 1.00 15.00 H new ATOM 0 HE ARG A 492 3.936 -8.593 -6.398 1.00 15.00 H new ATOM 0 HH11 ARG A 492 3.309 -10.306 -3.364 1.00 15.00 H new ATOM 0 HH12 ARG A 492 4.993 -10.798 -3.163 1.00 15.00 H new ATOM 0 HH21 ARG A 492 6.091 -9.254 -6.131 1.00 15.00 H new ATOM 0 HH22 ARG A 492 6.557 -10.207 -4.718 1.00 15.00 H new ATOM 243 N PRO A 493 -2.340 -5.596 -5.887 1.00 15.00 N ATOM 244 CA PRO A 493 -2.622 -4.265 -5.355 1.00 15.00 C ATOM 245 C PRO A 493 -2.478 -4.198 -3.833 1.00 15.00 C ATOM 246 O PRO A 493 -2.906 -5.103 -3.117 1.00 15.00 O ATOM 247 CB PRO A 493 -4.079 -4.054 -5.761 1.00 15.00 C ATOM 248 CG PRO A 493 -4.687 -5.423 -5.765 1.00 15.00 C ATOM 249 CD PRO A 493 -3.562 -6.416 -5.965 1.00 15.00 C ATOM 0 HA PRO A 493 -1.932 -3.510 -5.732 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.592 -3.397 -5.059 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.151 -3.588 -6.744 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.207 -5.615 -4.826 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.425 -5.513 -6.562 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.572 -7.190 -5.197 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.642 -6.921 -6.928 1.00 15.00 H new ATOM 257 N PHE A 494 -1.891 -3.113 -3.346 1.00 15.00 N ATOM 258 CA PHE A 494 -1.685 -2.934 -1.918 1.00 15.00 C ATOM 259 C PHE A 494 -1.900 -1.479 -1.497 1.00 15.00 C ATOM 260 O PHE A 494 -1.680 -0.550 -2.281 1.00 15.00 O ATOM 261 CB PHE A 494 -0.279 -3.408 -1.512 1.00 15.00 C ATOM 262 CG PHE A 494 0.864 -2.793 -2.293 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.112 -1.425 -2.264 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.706 -3.599 -3.041 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.172 -0.875 -2.968 1.00 15.00 C ATOM 266 CE2 PHE A 494 2.763 -3.058 -3.746 1.00 15.00 C ATOM 267 CZ PHE A 494 2.998 -1.697 -3.710 1.00 15.00 C ATOM 0 H PHE A 494 -1.549 -2.343 -3.921 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.425 -3.543 -1.399 1.00 15.00 H new ATOM 0 HB2 PHE A 494 -0.132 -3.191 -0.454 1.00 15.00 H new ATOM 0 HB3 PHE A 494 -0.232 -4.491 -1.625 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.468 -0.781 -1.684 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.534 -4.665 -3.073 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.351 0.190 -2.937 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.408 -3.701 -4.327 1.00 15.00 H new ATOM 0 HZ PHE A 494 3.826 -1.276 -4.261 1.00 15.00 H new ATOM 277 N PHE A 495 -2.343 -1.294 -0.260 1.00 15.00 N ATOM 278 CA PHE A 495 -2.447 0.030 0.335 1.00 15.00 C ATOM 279 C PHE A 495 -1.196 0.320 1.153 1.00 15.00 C ATOM 280 O PHE A 495 -0.911 -0.372 2.127 1.00 15.00 O ATOM 281 CB PHE A 495 -3.676 0.148 1.249 1.00 15.00 C ATOM 282 CG PHE A 495 -4.963 -0.280 0.608 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.576 0.531 -0.322 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.555 -1.489 0.936 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.760 0.151 -0.925 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.740 -1.877 0.339 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.344 -1.055 -0.593 1.00 15.00 C ATOM 0 H PHE A 495 -2.638 -2.053 0.355 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.551 0.751 -0.476 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.510 -0.455 2.142 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.773 1.183 1.577 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -5.125 1.477 -0.583 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -5.087 -2.134 1.665 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -7.227 0.796 -1.654 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -7.193 -2.822 0.601 1.00 15.00 H new ATOM 0 HZ PHE A 495 -8.270 -1.355 -1.060 1.00 15.00 H new ATOM 297 N ILE A 496 -0.446 1.328 0.755 1.00 15.00 N ATOM 298 CA ILE A 496 0.722 1.735 1.514 1.00 15.00 C ATOM 299 C ILE A 496 0.394 2.956 2.336 1.00 15.00 C ATOM 300 O ILE A 496 -0.020 3.980 1.793 1.00 15.00 O ATOM 301 CB ILE A 496 1.948 2.045 0.622 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.524 0.749 0.051 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.017 2.797 1.412 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.834 0.930 -0.688 1.00 15.00 C ATOM 0 H ILE A 496 -0.622 1.879 -0.085 1.00 15.00 H new ATOM 0 HA ILE A 496 0.988 0.893 2.154 1.00 15.00 H new ATOM 0 HB ILE A 496 1.623 2.680 -0.202 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.673 0.040 0.865 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.794 0.307 -0.627 1.00 15.00 H new ATOM 0 HG21 ILE A 496 3.869 3.004 0.765 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.604 3.736 1.780 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.342 2.188 2.256 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.177 -0.035 -1.062 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.688 1.613 -1.525 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.581 1.342 -0.009 1.00 15.00 H new ATOM 316 N ASP A 497 0.565 2.844 3.636 1.00 15.00 N ATOM 317 CA ASP A 497 0.410 3.986 4.505 1.00 15.00 C ATOM 318 C ASP A 497 1.742 4.687 4.651 1.00 15.00 C ATOM 319 O ASP A 497 2.726 4.122 5.097 1.00 15.00 O ATOM 320 CB ASP A 497 -0.154 3.596 5.859 1.00 15.00 C ATOM 321 CG ASP A 497 0.550 2.406 6.491 1.00 15.00 C ATOM 322 OD1 ASP A 497 1.689 2.564 6.979 1.00 15.00 O ATOM 323 OD2 ASP A 497 -0.042 1.309 6.512 1.00 15.00 O1- ATOM 0 H ASP A 497 0.811 1.976 4.111 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.310 4.669 4.054 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -0.082 4.450 6.533 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.213 3.365 5.749 1.00 15.00 H new ATOM 328 N HIS A 498 1.768 5.911 4.202 1.00 15.00 N ATOM 329 CA HIS A 498 3.003 6.659 4.076 1.00 15.00 C ATOM 330 C HIS A 498 3.478 7.269 5.387 1.00 15.00 C ATOM 331 O HIS A 498 4.645 7.638 5.500 1.00 15.00 O ATOM 332 CB HIS A 498 2.896 7.712 2.970 1.00 15.00 C ATOM 333 CG HIS A 498 2.979 7.102 1.601 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.176 6.898 0.950 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.022 6.577 0.795 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.957 6.265 -0.185 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.657 6.061 -0.307 1.00 15.00 N ATOM 0 H HIS A 498 0.936 6.425 3.911 1.00 15.00 H new ATOM 0 HA HIS A 498 3.770 5.939 3.792 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.953 8.249 3.071 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.694 8.445 3.089 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.959 6.567 0.985 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.712 5.964 -0.896 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.200 5.596 -1.092 1.00 15.00 H new ATOM 346 N ASN A 499 2.595 7.403 6.372 1.00 15.00 N ATOM 347 CA ASN A 499 3.017 7.996 7.636 1.00 15.00 C ATOM 348 C ASN A 499 3.744 6.969 8.495 1.00 15.00 C ATOM 349 O ASN A 499 4.833 7.227 9.004 1.00 15.00 O ATOM 350 CB ASN A 499 1.823 8.592 8.411 1.00 15.00 C ATOM 351 CG ASN A 499 0.694 7.602 8.665 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.707 6.871 9.650 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.311 7.597 7.797 1.00 15.00 N ATOM 0 H ASN A 499 1.616 7.120 6.325 1.00 15.00 H new ATOM 0 HA ASN A 499 3.704 8.810 7.402 1.00 15.00 H new ATOM 0 HB2 ASN A 499 2.179 8.975 9.367 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.429 9.442 7.854 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.104 6.972 7.939 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.289 8.218 6.988 1.00 15.00 H new ATOM 360 N THR A 500 3.126 5.814 8.666 1.00 15.00 N ATOM 361 CA THR A 500 3.749 4.685 9.325 1.00 15.00 C ATOM 362 C THR A 500 4.674 3.897 8.384 1.00 15.00 C ATOM 363 O THR A 500 5.402 3.004 8.823 1.00 15.00 O ATOM 364 CB THR A 500 2.674 3.796 9.976 1.00 15.00 C ATOM 365 OG1 THR A 500 1.499 3.755 9.157 1.00 15.00 O ATOM 366 CG2 THR A 500 2.304 4.354 11.339 1.00 15.00 C ATOM 0 H THR A 500 2.173 5.634 8.349 1.00 15.00 H new ATOM 0 HA THR A 500 4.395 5.066 10.116 1.00 15.00 H new ATOM 0 HB THR A 500 3.076 2.788 10.083 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.759 3.659 8.217 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.543 3.722 11.796 1.00 15.00 H new ATOM 0 HG22 THR A 500 3.188 4.376 11.976 1.00 15.00 H new ATOM 0 HG23 THR A 500 1.915 5.366 11.225 1.00 15.00 H new ATOM 374 N LYS A 501 4.609 4.239 7.089 1.00 15.00 N ATOM 375 CA LYS A 501 5.372 3.579 6.011 1.00 15.00 C ATOM 376 C LYS A 501 5.288 2.051 6.077 1.00 15.00 C ATOM 377 O LYS A 501 6.300 1.351 6.038 1.00 15.00 O ATOM 378 CB LYS A 501 6.837 4.064 5.916 1.00 15.00 C ATOM 379 CG LYS A 501 7.699 3.858 7.154 1.00 15.00 C ATOM 380 CD LYS A 501 9.176 4.065 6.838 1.00 15.00 C ATOM 381 CE LYS A 501 9.443 5.428 6.208 1.00 15.00 C ATOM 382 NZ LYS A 501 9.334 6.538 7.191 1.00 15.00 N1+ ATOM 0 H LYS A 501 4.014 4.996 6.752 1.00 15.00 H new ATOM 0 HA LYS A 501 4.884 3.887 5.086 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.313 3.553 5.079 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.830 5.128 5.677 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.391 4.553 7.935 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.545 2.852 7.544 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.759 3.969 7.754 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.515 3.281 6.161 1.00 15.00 H new ATOM 0 HE2 LYS A 501 10.440 5.433 5.768 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.735 5.595 5.396 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.524 7.443 6.715 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.375 6.553 7.593 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.027 6.396 7.953 1.00 15.00 H new ATOM 396 N THR A 502 4.071 1.542 6.182 1.00 15.00 N ATOM 397 CA THR A 502 3.841 0.109 6.231 1.00 15.00 C ATOM 398 C THR A 502 3.002 -0.351 5.031 1.00 15.00 C ATOM 399 O THR A 502 2.204 0.415 4.485 1.00 15.00 O ATOM 400 CB THR A 502 3.137 -0.269 7.547 1.00 15.00 C ATOM 401 OG1 THR A 502 3.843 0.321 8.649 1.00 15.00 O ATOM 402 CG2 THR A 502 3.077 -1.777 7.733 1.00 15.00 C ATOM 0 H THR A 502 3.222 2.105 6.235 1.00 15.00 H new ATOM 0 HA THR A 502 4.806 -0.395 6.186 1.00 15.00 H new ATOM 0 HB THR A 502 2.115 0.108 7.507 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.396 0.084 9.488 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.574 -2.008 8.672 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.525 -2.224 6.906 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.089 -2.181 7.755 1.00 15.00 H new ATOM 410 N THR A 503 3.217 -1.589 4.601 1.00 15.00 N ATOM 411 CA THR A 503 2.452 -2.173 3.512 1.00 15.00 C ATOM 412 C THR A 503 1.240 -2.939 4.042 1.00 15.00 C ATOM 413 O THR A 503 1.383 -3.887 4.819 1.00 15.00 O ATOM 414 CB THR A 503 3.334 -3.124 2.685 1.00 15.00 C ATOM 415 OG1 THR A 503 4.098 -3.957 3.567 1.00 15.00 O ATOM 416 CG2 THR A 503 4.265 -2.346 1.768 1.00 15.00 C ATOM 0 H THR A 503 3.922 -2.211 4.996 1.00 15.00 H new ATOM 0 HA THR A 503 2.103 -1.358 2.878 1.00 15.00 H new ATOM 0 HB THR A 503 2.688 -3.744 2.064 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.659 -4.564 3.040 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.877 -3.043 1.195 1.00 15.00 H new ATOM 0 HG22 THR A 503 3.676 -1.734 1.085 1.00 15.00 H new ATOM 0 HG23 THR A 503 4.911 -1.703 2.366 1.00 15.00 H new ATOM 424 N THR A 504 0.055 -2.524 3.625 1.00 15.00 N ATOM 425 CA THR A 504 -1.180 -3.160 4.054 1.00 15.00 C ATOM 426 C THR A 504 -1.898 -3.795 2.860 1.00 15.00 C ATOM 427 O THR A 504 -2.120 -3.141 1.842 1.00 15.00 O ATOM 428 CB THR A 504 -2.104 -2.129 4.734 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.369 -1.415 5.740 1.00 15.00 O ATOM 430 CG2 THR A 504 -3.303 -2.806 5.378 1.00 15.00 C ATOM 0 H THR A 504 -0.078 -1.742 2.984 1.00 15.00 H new ATOM 0 HA THR A 504 -0.933 -3.942 4.772 1.00 15.00 H new ATOM 0 HB THR A 504 -2.464 -1.440 3.970 1.00 15.00 H new ATOM 0 HG1 THR A 504 -1.956 -0.759 6.170 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.936 -2.054 5.849 1.00 15.00 H new ATOM 0 HG22 THR A 504 -3.875 -3.335 4.616 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.959 -3.515 6.131 1.00 15.00 H new ATOM 438 N TRP A 505 -2.247 -5.071 2.981 1.00 15.00 N ATOM 439 CA TRP A 505 -2.885 -5.794 1.883 1.00 15.00 C ATOM 440 C TRP A 505 -4.403 -5.665 1.926 1.00 15.00 C ATOM 441 O TRP A 505 -5.060 -5.583 0.889 1.00 15.00 O ATOM 442 CB TRP A 505 -2.517 -7.276 1.920 1.00 15.00 C ATOM 443 CG TRP A 505 -1.156 -7.594 1.384 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.042 -7.915 2.102 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.774 -7.649 0.006 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.007 -8.171 1.252 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.583 -8.015 -0.038 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.450 -7.427 -1.194 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.276 -8.165 -1.234 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.763 -7.578 -2.381 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.588 -7.947 -2.394 1.00 15.00 C ATOM 0 H TRP A 505 -2.100 -5.626 3.824 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.519 -5.345 0.960 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.578 -7.626 2.950 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.258 -7.835 1.349 1.00 15.00 H new ATOM 0 HD1 TRP A 505 0.008 -7.961 3.180 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.950 -8.435 1.538 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.492 -7.142 -1.194 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.319 -8.444 -1.246 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -1.276 -7.409 -3.316 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.096 -8.062 -3.340 1.00 15.00 H new ATOM 462 N GLU A 506 -4.955 -5.686 3.126 1.00 15.00 N ATOM 463 CA GLU A 506 -6.398 -5.680 3.303 1.00 15.00 C ATOM 464 C GLU A 506 -6.894 -4.315 3.696 1.00 15.00 C ATOM 465 O GLU A 506 -6.205 -3.555 4.375 1.00 15.00 O ATOM 466 CB GLU A 506 -6.825 -6.726 4.343 1.00 15.00 C ATOM 467 CG GLU A 506 -6.100 -6.625 5.682 1.00 15.00 C ATOM 468 CD GLU A 506 -4.696 -7.201 5.645 1.00 15.00 C ATOM 469 OE1 GLU A 506 -4.557 -8.435 5.778 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -3.727 -6.426 5.478 1.00 15.00 O ATOM 0 H GLU A 506 -4.424 -5.707 3.997 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.849 -5.940 2.345 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -7.897 -6.629 4.517 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.658 -7.720 3.929 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -6.049 -5.578 5.982 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -6.680 -7.147 6.443 1.00 15.00 H new ATOM 477 N ASP A 507 -8.107 -4.017 3.272 1.00 15.00 N ATOM 478 CA ASP A 507 -8.690 -2.728 3.532 1.00 15.00 C ATOM 479 C ASP A 507 -9.014 -2.588 5.017 1.00 15.00 C ATOM 480 O ASP A 507 -9.761 -3.391 5.581 1.00 15.00 O ATOM 481 CB ASP A 507 -9.940 -2.502 2.670 1.00 15.00 C ATOM 482 CG ASP A 507 -11.066 -3.470 2.980 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.945 -4.666 2.629 1.00 15.00 O ATOM 484 OD2 ASP A 507 -12.084 -3.040 3.559 1.00 15.00 O1- ATOM 0 H ASP A 507 -8.704 -4.655 2.746 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.964 -1.960 3.263 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -10.296 -1.482 2.818 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.669 -2.595 1.618 1.00 15.00 H new ATOM 585 N LEU B 928 4.360 -10.935 0.937 1.00 15.00 N ATOM 586 CA LEU B 928 4.561 -9.520 1.198 1.00 15.00 C ATOM 587 C LEU B 928 6.034 -9.172 1.021 1.00 15.00 C ATOM 588 O LEU B 928 6.897 -9.724 1.705 1.00 15.00 O ATOM 589 CB LEU B 928 4.090 -9.154 2.619 1.00 15.00 C ATOM 590 CG LEU B 928 4.225 -7.669 2.997 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.071 -7.226 3.882 1.00 15.00 C ATOM 592 CD2 LEU B 928 5.545 -7.413 3.712 1.00 15.00 C ATOM 0 HA LEU B 928 3.968 -8.944 0.488 1.00 15.00 H new ATOM 0 HB2 LEU B 928 3.044 -9.444 2.723 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.658 -9.747 3.336 1.00 15.00 H new ATOM 0 HG LEU B 928 4.202 -7.090 2.074 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.190 -6.173 4.135 1.00 15.00 H new ATOM 0 HD12 LEU B 928 2.130 -7.367 3.351 1.00 15.00 H new ATOM 0 HD13 LEU B 928 3.064 -7.820 4.796 1.00 15.00 H new ATOM 0 HD21 LEU B 928 5.620 -6.357 3.970 1.00 15.00 H new ATOM 0 HD22 LEU B 928 5.589 -8.013 4.621 1.00 15.00 H new ATOM 0 HD23 LEU B 928 6.372 -7.686 3.057 1.00 15.00 H new ATOM 604 N PRO B 929 6.339 -8.263 0.092 1.00 15.00 N ATOM 605 CA PRO B 929 7.691 -7.770 -0.126 1.00 15.00 C ATOM 606 C PRO B 929 8.024 -6.623 0.825 1.00 15.00 C ATOM 607 O PRO B 929 7.204 -5.722 1.020 1.00 15.00 O ATOM 608 CB PRO B 929 7.666 -7.270 -1.581 1.00 15.00 C ATOM 609 CG PRO B 929 6.247 -7.400 -2.054 1.00 15.00 C ATOM 610 CD PRO B 929 5.396 -7.649 -0.840 1.00 15.00 C ATOM 0 HA PRO B 929 8.446 -8.536 0.054 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.001 -6.235 -1.641 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.338 -7.859 -2.205 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.928 -6.493 -2.568 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.152 -8.220 -2.766 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.977 -6.725 -0.442 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.558 -8.309 -1.062 1.00 15.00 H new ATOM 618 N PRO B 930 9.224 -6.648 1.433 1.00 15.00 N ATOM 619 CA PRO B 930 9.689 -5.578 2.321 1.00 15.00 C ATOM 620 C PRO B 930 9.513 -4.206 1.679 1.00 15.00 C ATOM 621 O PRO B 930 9.967 -3.980 0.553 1.00 15.00 O ATOM 622 CB PRO B 930 11.180 -5.893 2.534 1.00 15.00 C ATOM 623 CG PRO B 930 11.508 -6.989 1.572 1.00 15.00 C ATOM 624 CD PRO B 930 10.222 -7.713 1.305 1.00 15.00 C ATOM 0 HA PRO B 930 9.126 -5.541 3.254 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.796 -5.013 2.348 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.371 -6.204 3.561 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.926 -6.585 0.650 1.00 15.00 H new ATOM 0 HG3 PRO B 930 12.254 -7.664 1.991 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.209 -8.164 0.313 1.00 15.00 H new ATOM 0 HD3 PRO B 930 10.052 -8.516 2.022 1.00 15.00 H new ATOM 632 N TYR B 931 8.860 -3.300 2.405 1.00 15.00 N ATOM 633 CA TYR B 931 8.448 -2.013 1.854 1.00 15.00 C ATOM 634 C TYR B 931 9.608 -1.272 1.194 1.00 15.00 C ATOM 635 O TYR B 931 10.617 -0.958 1.828 1.00 15.00 O ATOM 636 CB TYR B 931 7.823 -1.154 2.968 1.00 15.00 C ATOM 637 CG TYR B 931 7.715 0.330 2.656 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.719 0.836 1.822 1.00 15.00 C ATOM 639 CD2 TYR B 931 8.617 1.230 3.213 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.635 2.188 1.557 1.00 15.00 C ATOM 641 CE2 TYR B 931 8.534 2.581 2.951 1.00 15.00 C ATOM 642 CZ TYR B 931 7.543 3.054 2.124 1.00 15.00 C ATOM 643 OH TYR B 931 7.460 4.402 1.859 1.00 15.00 O ATOM 0 H TYR B 931 8.604 -3.437 3.383 1.00 15.00 H new ATOM 0 HA TYR B 931 7.708 -2.201 1.076 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.826 -1.537 3.184 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.415 -1.276 3.875 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.003 0.161 1.377 1.00 15.00 H new ATOM 0 HD2 TYR B 931 9.398 0.864 3.863 1.00 15.00 H new ATOM 0 HE1 TYR B 931 5.860 2.565 0.907 1.00 15.00 H new ATOM 0 HE2 TYR B 931 9.244 3.264 3.393 1.00 15.00 H new ATOM 0 HH TYR B 931 7.798 4.908 2.627 1.00 15.00 H new ATOM 653 N GLU B 932 9.439 -1.020 -0.092 1.00 15.00 N ATOM 654 CA GLU B 932 10.305 -0.137 -0.848 1.00 15.00 C ATOM 655 C GLU B 932 9.508 1.113 -1.171 1.00 15.00 C ATOM 656 O GLU B 932 8.328 1.012 -1.510 1.00 15.00 O ATOM 657 CB GLU B 932 10.754 -0.824 -2.140 1.00 15.00 C ATOM 658 CG GLU B 932 11.701 0.015 -2.980 1.00 15.00 C ATOM 659 CD GLU B 932 11.983 -0.607 -4.329 1.00 15.00 C ATOM 660 OE1 GLU B 932 12.838 -1.515 -4.405 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 11.356 -0.185 -5.321 1.00 15.00 O ATOM 0 H GLU B 932 8.687 -1.429 -0.646 1.00 15.00 H new ATOM 0 HA GLU B 932 11.196 0.115 -0.273 1.00 15.00 H new ATOM 0 HB2 GLU B 932 11.242 -1.766 -1.890 1.00 15.00 H new ATOM 0 HB3 GLU B 932 9.874 -1.069 -2.735 1.00 15.00 H new ATOM 0 HG2 GLU B 932 11.273 1.007 -3.123 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.639 0.148 -2.441 1.00 15.00 H new ATOM 668 N THR B 933 10.109 2.284 -1.078 1.00 15.00 N ATOM 669 CA THR B 933 9.351 3.480 -1.357 1.00 15.00 C ATOM 670 C THR B 933 9.281 3.746 -2.854 1.00 15.00 C ATOM 671 O THR B 933 10.291 3.923 -3.538 1.00 15.00 O ATOM 672 CB THR B 933 9.900 4.721 -0.632 1.00 15.00 C ATOM 673 OG1 THR B 933 10.090 4.429 0.760 1.00 15.00 O ATOM 674 CG2 THR B 933 8.924 5.888 -0.776 1.00 15.00 C ATOM 0 H THR B 933 11.085 2.428 -0.821 1.00 15.00 H new ATOM 0 HA THR B 933 8.347 3.297 -0.974 1.00 15.00 H new ATOM 0 HB THR B 933 10.856 4.994 -1.080 1.00 15.00 H new ATOM 0 HG1 THR B 933 9.219 4.293 1.188 1.00 15.00 H new ATOM 0 HG21 THR B 933 9.322 6.761 -0.259 1.00 15.00 H new ATOM 0 HG22 THR B 933 8.789 6.121 -1.832 1.00 15.00 H new ATOM 0 HG23 THR B 933 7.963 5.615 -0.339 1.00 15.00 H new ATOM 682 N PHE B 934 8.059 3.756 -3.329 1.00 15.00 N ATOM 683 CA PHE B 934 7.715 4.169 -4.672 1.00 15.00 C ATOM 684 C PHE B 934 7.444 5.677 -4.629 1.00 15.00 C ATOM 685 O PHE B 934 7.582 6.280 -3.564 1.00 15.00 O ATOM 686 CB PHE B 934 6.498 3.379 -5.176 1.00 15.00 C ATOM 687 CG PHE B 934 5.227 3.809 -4.529 1.00 15.00 C ATOM 688 CD1 PHE B 934 4.823 3.287 -3.315 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.464 4.785 -5.123 1.00 15.00 C ATOM 690 CE1 PHE B 934 3.680 3.747 -2.709 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.319 5.241 -4.531 1.00 15.00 C ATOM 692 CZ PHE B 934 2.931 4.726 -3.323 1.00 15.00 C ATOM 0 H PHE B 934 7.251 3.469 -2.777 1.00 15.00 H new ATOM 0 HA PHE B 934 8.527 3.965 -5.370 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.411 3.502 -6.256 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.656 2.317 -4.988 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.409 2.514 -2.841 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.773 5.198 -6.072 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.370 3.343 -1.756 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.724 6.003 -5.013 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.032 5.090 -2.849 1.00 15.00 H new ATOM 702 N GLU B 935 7.083 6.285 -5.757 1.00 15.00 N ATOM 703 CA GLU B 935 6.949 7.743 -5.849 1.00 15.00 C ATOM 704 C GLU B 935 6.130 8.319 -4.688 1.00 15.00 C ATOM 705 O GLU B 935 5.001 7.903 -4.421 1.00 15.00 O ATOM 706 CB GLU B 935 6.268 8.131 -7.171 1.00 15.00 C ATOM 707 CG GLU B 935 4.969 7.376 -7.465 1.00 15.00 C ATOM 708 CD GLU B 935 5.200 6.142 -8.320 1.00 15.00 C ATOM 709 OE1 GLU B 935 5.867 5.192 -7.851 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 4.746 6.133 -9.482 1.00 15.00 O ATOM 0 H GLU B 935 6.877 5.791 -6.625 1.00 15.00 H new ATOM 0 HA GLU B 935 7.956 8.158 -5.803 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.056 9.200 -7.155 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.967 7.957 -7.989 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.502 7.082 -6.525 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.271 8.042 -7.973 1.00 15.00 H new ATOM 717 N ASP B 936 6.729 9.289 -4.008 1.00 15.00 N ATOM 718 CA ASP B 936 6.151 9.872 -2.804 1.00 15.00 C ATOM 719 C ASP B 936 4.994 10.809 -3.135 1.00 15.00 C ATOM 720 O ASP B 936 4.965 11.438 -4.195 1.00 15.00 O ATOM 721 CB ASP B 936 7.227 10.623 -2.013 1.00 15.00 C ATOM 722 CG ASP B 936 6.666 11.312 -0.784 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.035 10.630 0.053 1.00 15.00 O ATOM 724 OD2 ASP B 936 6.852 12.541 -0.652 1.00 15.00 O1- ATOM 0 H ASP B 936 7.627 9.693 -4.275 1.00 15.00 H new ATOM 0 HA ASP B 936 5.758 9.058 -2.195 1.00 15.00 H new ATOM 0 HB2 ASP B 936 8.006 9.923 -1.710 1.00 15.00 H new ATOM 0 HB3 ASP B 936 7.698 11.364 -2.659 1.00 15.00 H new ATOM 729 N LEU B 937 4.066 10.917 -2.198 1.00 15.00 N ATOM 730 CA LEU B 937 2.851 11.694 -2.387 1.00 15.00 C ATOM 731 C LEU B 937 2.973 13.050 -1.702 1.00 15.00 C ATOM 732 O LEU B 937 2.682 13.186 -0.514 1.00 15.00 O ATOM 733 CB LEU B 937 1.637 10.936 -1.827 1.00 15.00 C ATOM 734 CG LEU B 937 1.222 9.663 -2.582 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.940 9.965 -4.045 1.00 15.00 C ATOM 736 CD2 LEU B 937 2.283 8.579 -2.457 1.00 15.00 C ATOM 0 H LEU B 937 4.134 10.468 -1.284 1.00 15.00 H new ATOM 0 HA LEU B 937 2.709 11.850 -3.456 1.00 15.00 H new ATOM 0 HB2 LEU B 937 1.849 10.666 -0.792 1.00 15.00 H new ATOM 0 HB3 LEU B 937 0.786 11.617 -1.811 1.00 15.00 H new ATOM 0 HG LEU B 937 0.304 9.294 -2.125 1.00 15.00 H new ATOM 0 HD11 LEU B 937 0.649 9.048 -4.556 1.00 15.00 H new ATOM 0 HD12 LEU B 937 0.132 10.693 -4.117 1.00 15.00 H new ATOM 0 HD13 LEU B 937 1.837 10.371 -4.512 1.00 15.00 H new ATOM 0 HD21 LEU B 937 1.962 7.691 -3.001 1.00 15.00 H new ATOM 0 HD22 LEU B 937 3.223 8.940 -2.875 1.00 15.00 H new ATOM 0 HD23 LEU B 937 2.425 8.329 -1.406 1.00 15.00 H new