USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 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: A 498 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Set 1.2: B 931 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 MET CE :methyl -133:sc= -0.741 (180deg=-2.27!) USER MOD Single : A 490 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.67) USER MOD Single : A 499 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.6!) USER MOD Single : A 500 THR OG1 : rot -74:sc= -1.34! USER MOD Single : A 501 LYS NZ :NH3+ -163:sc= -0.0387 (180deg=-0.3) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 40:sc= 0.0376 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -8.640 7.566 0.127 1.00 15.00 N ATOM 22 CA LEU A 479 -7.987 6.937 1.263 1.00 15.00 C ATOM 23 C LEU A 479 -7.811 7.908 2.413 1.00 15.00 C ATOM 24 O LEU A 479 -7.605 9.106 2.200 1.00 15.00 O ATOM 25 CB LEU A 479 -6.589 6.441 0.906 1.00 15.00 C ATOM 26 CG LEU A 479 -6.477 5.129 0.136 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.506 4.113 0.597 1.00 15.00 C ATOM 28 CD2 LEU A 479 -6.576 5.365 -1.361 1.00 15.00 C ATOM 0 HA LEU A 479 -8.634 6.107 1.548 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -6.098 7.217 0.319 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.024 6.336 1.832 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.493 4.712 0.350 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -7.392 3.193 0.023 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.359 3.901 1.656 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -8.508 4.514 0.443 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -6.493 4.413 -1.886 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -7.536 5.825 -1.594 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -5.770 6.026 -1.679 1.00 15.00 H new ATOM 40 N PRO A 480 -7.892 7.386 3.643 1.00 15.00 N ATOM 41 CA PRO A 480 -7.282 8.007 4.817 1.00 15.00 C ATOM 42 C PRO A 480 -5.905 8.596 4.495 1.00 15.00 C ATOM 43 O PRO A 480 -5.125 7.989 3.756 1.00 15.00 O ATOM 44 CB PRO A 480 -7.146 6.795 5.731 1.00 15.00 C ATOM 45 CG PRO A 480 -8.405 6.052 5.497 1.00 15.00 C ATOM 46 CD PRO A 480 -8.637 6.160 4.010 1.00 15.00 C ATOM 0 HA PRO A 480 -7.851 8.840 5.230 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -6.272 6.196 5.477 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.040 7.088 6.775 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -8.316 5.012 5.810 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -9.232 6.485 6.060 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -8.261 5.286 3.479 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.697 6.246 3.772 1.00 15.00 H new ATOM 54 N PRO A 481 -5.585 9.772 5.056 1.00 15.00 N ATOM 55 CA PRO A 481 -4.340 10.487 4.758 1.00 15.00 C ATOM 56 C PRO A 481 -3.091 9.617 4.914 1.00 15.00 C ATOM 57 O PRO A 481 -2.705 9.244 6.025 1.00 15.00 O ATOM 58 CB PRO A 481 -4.322 11.642 5.771 1.00 15.00 C ATOM 59 CG PRO A 481 -5.379 11.307 6.774 1.00 15.00 C ATOM 60 CD PRO A 481 -6.403 10.499 6.035 1.00 15.00 C ATOM 0 HA PRO A 481 -4.317 10.815 3.719 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.345 11.733 6.245 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.530 12.595 5.284 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -4.962 10.742 7.607 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.822 12.211 7.192 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.941 9.821 6.698 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.148 11.131 5.552 1.00 15.00 H new ATOM 68 N GLY A 482 -2.488 9.265 3.786 1.00 15.00 N ATOM 69 CA GLY A 482 -1.264 8.492 3.802 1.00 15.00 C ATOM 70 C GLY A 482 -1.448 7.086 3.296 1.00 15.00 C ATOM 71 O GLY A 482 -0.470 6.368 3.128 1.00 15.00 O ATOM 0 H GLY A 482 -2.829 9.504 2.855 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.515 8.996 3.192 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.876 8.458 4.820 1.00 15.00 H new ATOM 75 N TRP A 483 -2.677 6.688 3.031 1.00 15.00 N ATOM 76 CA TRP A 483 -2.917 5.371 2.473 1.00 15.00 C ATOM 77 C TRP A 483 -2.877 5.473 0.973 1.00 15.00 C ATOM 78 O TRP A 483 -3.622 6.236 0.367 1.00 15.00 O ATOM 79 CB TRP A 483 -4.262 4.797 2.913 1.00 15.00 C ATOM 80 CG TRP A 483 -4.292 4.370 4.342 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.405 5.180 5.425 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.216 3.028 4.838 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.409 4.430 6.577 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.291 3.103 6.242 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.093 1.769 4.233 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.248 1.969 7.049 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -4.048 0.647 5.040 1.00 15.00 C ATOM 88 CH2 TRP A 483 -4.127 0.755 6.434 1.00 15.00 C ATOM 0 H TRP A 483 -3.514 7.248 3.190 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.143 4.696 2.838 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -5.037 5.545 2.750 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.506 3.942 2.282 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.481 6.257 5.387 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.487 4.798 7.525 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.035 1.677 3.158 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.308 2.046 8.125 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.950 -0.329 4.588 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -4.092 -0.141 7.036 1.00 15.00 H new ATOM 99 N GLU A 484 -1.984 4.725 0.381 1.00 15.00 N ATOM 100 CA GLU A 484 -1.754 4.824 -1.033 1.00 15.00 C ATOM 101 C GLU A 484 -2.004 3.504 -1.733 1.00 15.00 C ATOM 102 O GLU A 484 -1.442 2.471 -1.368 1.00 15.00 O ATOM 103 CB GLU A 484 -0.336 5.314 -1.279 1.00 15.00 C ATOM 104 CG GLU A 484 -0.253 6.814 -1.468 1.00 15.00 C ATOM 105 CD GLU A 484 -1.215 7.307 -2.531 1.00 15.00 C ATOM 106 OE1 GLU A 484 -1.158 6.796 -3.669 1.00 15.00 O ATOM 107 OE2 GLU A 484 -2.026 8.205 -2.230 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.402 4.038 0.860 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.459 5.542 -1.452 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.294 5.024 -0.438 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.065 4.819 -2.163 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.471 7.311 -0.523 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.765 7.089 -1.745 1.00 15.00 H new ATOM 114 N MET A 485 -2.850 3.563 -2.747 1.00 15.00 N ATOM 115 CA MET A 485 -3.167 2.399 -3.567 1.00 15.00 C ATOM 116 C MET A 485 -2.280 2.384 -4.793 1.00 15.00 C ATOM 117 O MET A 485 -2.463 3.186 -5.707 1.00 15.00 O ATOM 118 CB MET A 485 -4.632 2.399 -4.015 1.00 15.00 C ATOM 119 CG MET A 485 -5.616 2.128 -2.911 1.00 15.00 C ATOM 120 SD MET A 485 -7.307 1.961 -3.522 1.00 15.00 S ATOM 121 CE MET A 485 -7.558 3.555 -4.302 1.00 15.00 C ATOM 0 H MET A 485 -3.337 4.414 -3.027 1.00 15.00 H new ATOM 0 HA MET A 485 -2.995 1.511 -2.958 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.863 3.366 -4.463 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.762 1.648 -4.794 1.00 15.00 H new ATOM 0 HG2 MET A 485 -5.330 1.215 -2.389 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.574 2.938 -2.183 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.520 3.964 -3.993 1.00 15.00 H new ATOM 0 HE2 MET A 485 -6.761 4.236 -4.003 1.00 15.00 H new ATOM 0 HE3 MET A 485 -7.546 3.436 -5.385 1.00 15.00 H new ATOM 131 N ARG A 486 -1.311 1.492 -4.804 1.00 15.00 N ATOM 132 CA ARG A 486 -0.364 1.415 -5.908 1.00 15.00 C ATOM 133 C ARG A 486 -0.173 -0.030 -6.331 1.00 15.00 C ATOM 134 O ARG A 486 -0.097 -0.927 -5.489 1.00 15.00 O ATOM 135 CB ARG A 486 0.976 2.039 -5.510 1.00 15.00 C ATOM 136 CG ARG A 486 0.868 3.504 -5.114 1.00 15.00 C ATOM 137 CD ARG A 486 0.345 4.368 -6.255 1.00 15.00 C ATOM 138 NE ARG A 486 1.291 4.456 -7.368 1.00 15.00 N ATOM 139 CZ ARG A 486 0.931 4.645 -8.637 1.00 15.00 C ATOM 140 NH1 ARG A 486 -0.354 4.715 -8.966 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 1.859 4.764 -9.575 1.00 15.00 N ATOM 0 H ARG A 486 -1.155 0.808 -4.063 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.765 1.976 -6.752 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.397 1.476 -4.677 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.673 1.946 -6.343 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.205 3.599 -4.254 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.847 3.868 -4.803 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.598 3.957 -6.615 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.134 5.370 -5.881 1.00 15.00 H new ATOM 0 HE ARG A 486 2.286 4.367 -7.160 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -1.071 4.624 -8.246 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -0.624 4.860 -9.939 1.00 15.00 H new ATOM 0 HH21 ARG A 486 2.846 4.711 -9.325 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.586 4.909 -10.547 1.00 15.00 H new ATOM 155 N ILE A 487 -0.096 -0.254 -7.632 1.00 15.00 N ATOM 156 CA ILE A 487 -0.016 -1.604 -8.159 1.00 15.00 C ATOM 157 C ILE A 487 1.394 -1.975 -8.598 1.00 15.00 C ATOM 158 O ILE A 487 2.118 -1.175 -9.197 1.00 15.00 O ATOM 159 CB ILE A 487 -1.028 -1.818 -9.314 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.926 -3.235 -9.881 1.00 15.00 C ATOM 161 CG2 ILE A 487 -0.826 -0.788 -10.411 1.00 15.00 C ATOM 162 CD1 ILE A 487 -1.972 -3.547 -10.926 1.00 15.00 C ATOM 0 H ILE A 487 -0.087 0.480 -8.340 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.282 -2.273 -7.341 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.030 -1.689 -8.905 1.00 15.00 H new ATOM 0 HG12 ILE A 487 0.063 -3.372 -10.318 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.016 -3.951 -9.064 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -1.548 -0.960 -11.209 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -0.969 0.212 -10.002 1.00 15.00 H new ATOM 0 HG23 ILE A 487 0.184 -0.876 -10.811 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -1.837 -4.568 -11.282 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -2.965 -3.443 -10.489 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -1.869 -2.855 -11.762 1.00 15.00 H new ATOM 174 N ALA A 488 1.760 -3.207 -8.278 1.00 15.00 N ATOM 175 CA ALA A 488 3.046 -3.763 -8.640 1.00 15.00 C ATOM 176 C ALA A 488 2.933 -4.433 -10.001 1.00 15.00 C ATOM 177 O ALA A 488 1.858 -4.918 -10.356 1.00 15.00 O ATOM 178 CB ALA A 488 3.490 -4.777 -7.594 1.00 15.00 C ATOM 0 H ALA A 488 1.165 -3.850 -7.756 1.00 15.00 H new ATOM 0 HA ALA A 488 3.788 -2.966 -8.687 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.459 -5.190 -7.876 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.572 -4.287 -6.624 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.757 -5.581 -7.533 1.00 15.00 H new ATOM 184 N PRO A 489 4.026 -4.465 -10.783 1.00 15.00 N ATOM 185 CA PRO A 489 4.032 -5.047 -12.137 1.00 15.00 C ATOM 186 C PRO A 489 3.596 -6.518 -12.179 1.00 15.00 C ATOM 187 O PRO A 489 3.473 -7.103 -13.254 1.00 15.00 O ATOM 188 CB PRO A 489 5.491 -4.916 -12.590 1.00 15.00 C ATOM 189 CG PRO A 489 6.272 -4.646 -11.347 1.00 15.00 C ATOM 190 CD PRO A 489 5.344 -3.919 -10.421 1.00 15.00 C ATOM 0 HA PRO A 489 3.317 -4.532 -12.779 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.834 -5.828 -13.078 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.607 -4.106 -13.310 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.622 -5.575 -10.897 1.00 15.00 H new ATOM 0 HG3 PRO A 489 7.155 -4.045 -11.565 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.586 -4.108 -9.375 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.389 -2.840 -10.569 1.00 15.00 H new ATOM 198 N ASN A 490 3.385 -7.114 -11.009 1.00 15.00 N ATOM 199 CA ASN A 490 2.873 -8.479 -10.913 1.00 15.00 C ATOM 200 C ASN A 490 1.348 -8.489 -11.074 1.00 15.00 C ATOM 201 O ASN A 490 0.733 -9.539 -11.244 1.00 15.00 O ATOM 202 CB ASN A 490 3.271 -9.101 -9.567 1.00 15.00 C ATOM 203 CG ASN A 490 2.866 -10.561 -9.429 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.517 -11.016 -8.339 1.00 15.00 O ATOM 205 ND2 ASN A 490 2.933 -11.312 -10.519 1.00 15.00 N ATOM 0 H ASN A 490 3.562 -6.670 -10.108 1.00 15.00 H new ATOM 0 HA ASN A 490 3.310 -9.073 -11.715 1.00 15.00 H new ATOM 0 HB2 ASN A 490 4.351 -9.019 -9.443 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.813 -8.527 -8.761 1.00 15.00 H new ATOM 0 HD21 ASN A 490 2.691 -12.302 -10.472 1.00 15.00 H new ATOM 0 HD22 ASN A 490 3.226 -10.900 -11.405 1.00 15.00 H new ATOM 212 N GLY A 491 0.743 -7.308 -11.020 1.00 15.00 N ATOM 213 CA GLY A 491 -0.697 -7.203 -11.173 1.00 15.00 C ATOM 214 C GLY A 491 -1.422 -7.162 -9.841 1.00 15.00 C ATOM 215 O GLY A 491 -2.516 -7.708 -9.705 1.00 15.00 O ATOM 0 H GLY A 491 1.224 -6.421 -10.873 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.934 -6.303 -11.740 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -1.060 -8.050 -11.754 1.00 15.00 H new ATOM 219 N ARG A 492 -0.820 -6.511 -8.854 1.00 15.00 N ATOM 220 CA ARG A 492 -1.413 -6.437 -7.524 1.00 15.00 C ATOM 221 C ARG A 492 -1.362 -5.013 -6.956 1.00 15.00 C ATOM 222 O ARG A 492 -0.280 -4.445 -6.804 1.00 15.00 O ATOM 223 CB ARG A 492 -0.709 -7.412 -6.572 1.00 15.00 C ATOM 224 CG ARG A 492 0.812 -7.363 -6.628 1.00 15.00 C ATOM 225 CD ARG A 492 1.424 -8.567 -5.926 1.00 15.00 C ATOM 226 NE ARG A 492 2.879 -8.472 -5.807 1.00 15.00 N ATOM 227 CZ ARG A 492 3.661 -9.474 -5.398 1.00 15.00 C ATOM 228 NH1 ARG A 492 3.143 -10.672 -5.153 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 4.963 -9.282 -5.256 1.00 15.00 N ATOM 0 H ARG A 492 0.074 -6.029 -8.948 1.00 15.00 H new ATOM 0 HA ARG A 492 -2.462 -6.719 -7.616 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -1.029 -7.199 -5.552 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -1.036 -8.426 -6.804 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.140 -7.338 -7.667 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.167 -6.445 -6.159 1.00 15.00 H new ATOM 0 HD2 ARG A 492 0.988 -8.663 -4.932 1.00 15.00 H new ATOM 0 HD3 ARG A 492 1.167 -9.472 -6.476 1.00 15.00 H new ATOM 0 HE ARG A 492 3.323 -7.587 -6.051 1.00 15.00 H new ATOM 0 HH11 ARG A 492 2.143 -10.830 -5.277 1.00 15.00 H new ATOM 0 HH12 ARG A 492 3.745 -11.434 -4.841 1.00 15.00 H new ATOM 0 HH21 ARG A 492 5.369 -8.369 -5.459 1.00 15.00 H new ATOM 0 HH22 ARG A 492 5.560 -10.047 -4.944 1.00 15.00 H new ATOM 243 N PRO A 493 -2.534 -4.413 -6.645 1.00 15.00 N ATOM 244 CA PRO A 493 -2.616 -3.119 -5.967 1.00 15.00 C ATOM 245 C PRO A 493 -2.639 -3.262 -4.452 1.00 15.00 C ATOM 246 O PRO A 493 -3.526 -3.901 -3.883 1.00 15.00 O ATOM 247 CB PRO A 493 -3.944 -2.527 -6.463 1.00 15.00 C ATOM 248 CG PRO A 493 -4.636 -3.613 -7.231 1.00 15.00 C ATOM 249 CD PRO A 493 -3.872 -4.891 -6.999 1.00 15.00 C ATOM 0 HA PRO A 493 -1.750 -2.495 -6.187 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.557 -2.194 -5.625 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -3.768 -1.657 -7.095 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.669 -3.718 -6.899 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -4.666 -3.372 -8.294 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.313 -5.486 -6.199 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.854 -5.518 -7.890 1.00 15.00 H new ATOM 257 N PHE A 494 -1.644 -2.662 -3.813 1.00 15.00 N ATOM 258 CA PHE A 494 -1.452 -2.785 -2.378 1.00 15.00 C ATOM 259 C PHE A 494 -1.640 -1.442 -1.671 1.00 15.00 C ATOM 260 O PHE A 494 -1.395 -0.385 -2.257 1.00 15.00 O ATOM 261 CB PHE A 494 -0.065 -3.375 -2.073 1.00 15.00 C ATOM 262 CG PHE A 494 1.109 -2.692 -2.748 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.389 -1.347 -2.534 1.00 15.00 C ATOM 264 CD2 PHE A 494 1.957 -3.413 -3.578 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.479 -0.741 -3.137 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.048 -2.812 -4.175 1.00 15.00 C ATOM 267 CZ PHE A 494 3.308 -1.476 -3.956 1.00 15.00 C ATOM 0 H PHE A 494 -0.949 -2.077 -4.276 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.212 -3.465 -1.994 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.092 -3.344 -0.995 1.00 15.00 H new ATOM 0 HB3 PHE A 494 -0.066 -4.425 -2.365 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.747 -0.766 -1.888 1.00 15.00 H new ATOM 0 HD2 PHE A 494 1.761 -4.459 -3.760 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.679 0.306 -2.965 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.699 -3.390 -4.815 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.160 -1.006 -4.425 1.00 15.00 H new ATOM 277 N PHE A 495 -2.093 -1.488 -0.421 1.00 15.00 N ATOM 278 CA PHE A 495 -2.280 -0.279 0.370 1.00 15.00 C ATOM 279 C PHE A 495 -1.067 -0.025 1.257 1.00 15.00 C ATOM 280 O PHE A 495 -0.787 -0.786 2.180 1.00 15.00 O ATOM 281 CB PHE A 495 -3.532 -0.376 1.253 1.00 15.00 C ATOM 282 CG PHE A 495 -4.763 -0.805 0.514 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.351 0.040 -0.401 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.328 -2.052 0.732 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.484 -0.337 -1.092 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.464 -2.440 0.045 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.043 -1.580 -0.870 1.00 15.00 C ATOM 0 H PHE A 495 -2.337 -2.351 0.065 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.404 0.548 -0.329 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.341 -1.082 2.062 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.716 0.595 1.714 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.918 1.013 -0.580 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.877 -2.727 1.445 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.933 0.339 -1.805 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.898 -3.413 0.223 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.930 -1.879 -1.409 1.00 15.00 H new ATOM 297 N ILE A 496 -0.334 1.029 0.959 1.00 15.00 N ATOM 298 CA ILE A 496 0.755 1.447 1.821 1.00 15.00 C ATOM 299 C ILE A 496 0.346 2.675 2.600 1.00 15.00 C ATOM 300 O ILE A 496 0.073 3.719 2.008 1.00 15.00 O ATOM 301 CB ILE A 496 2.048 1.762 1.038 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.526 0.530 0.270 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.140 2.258 1.981 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.818 0.753 -0.481 1.00 15.00 C ATOM 0 H ILE A 496 -0.471 1.609 0.131 1.00 15.00 H new ATOM 0 HA ILE A 496 0.966 0.613 2.491 1.00 15.00 H new ATOM 0 HB ILE A 496 1.828 2.552 0.320 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.659 -0.295 0.969 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.752 0.228 -0.436 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.043 2.475 1.410 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.803 3.164 2.484 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.356 1.490 2.724 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.098 -0.162 -1.003 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.684 1.557 -1.205 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.605 1.025 0.222 1.00 15.00 H new ATOM 316 N ASP A 497 0.294 2.562 3.917 1.00 15.00 N ATOM 317 CA ASP A 497 0.046 3.732 4.729 1.00 15.00 C ATOM 318 C ASP A 497 1.383 4.355 5.060 1.00 15.00 C ATOM 319 O ASP A 497 2.280 3.726 5.617 1.00 15.00 O ATOM 320 CB ASP A 497 -0.769 3.433 5.992 1.00 15.00 C ATOM 321 CG ASP A 497 0.049 2.914 7.154 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.590 3.747 7.923 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.141 1.685 7.315 1.00 15.00 O1- ATOM 0 H ASP A 497 0.418 1.691 4.434 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.571 4.429 4.162 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.283 4.343 6.302 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.538 2.700 5.749 1.00 15.00 H new ATOM 328 N HIS A 498 1.520 5.588 4.651 1.00 15.00 N ATOM 329 CA HIS A 498 2.793 6.267 4.694 1.00 15.00 C ATOM 330 C HIS A 498 3.117 6.806 6.082 1.00 15.00 C ATOM 331 O HIS A 498 4.238 7.257 6.322 1.00 15.00 O ATOM 332 CB HIS A 498 2.831 7.374 3.637 1.00 15.00 C ATOM 333 CG HIS A 498 2.996 6.839 2.243 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.227 6.700 1.644 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.087 6.383 1.332 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.079 6.187 0.440 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.792 5.985 0.223 1.00 15.00 N ATOM 0 H HIS A 498 0.756 6.152 4.279 1.00 15.00 H new ATOM 0 HA HIS A 498 3.569 5.537 4.464 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.910 7.955 3.692 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.652 8.055 3.860 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.015 6.343 1.460 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.877 5.968 -0.254 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.388 5.597 -0.629 1.00 15.00 H new ATOM 346 N ASN A 499 2.150 6.772 6.997 1.00 15.00 N ATOM 347 CA ASN A 499 2.397 7.303 8.330 1.00 15.00 C ATOM 348 C ASN A 499 3.163 6.298 9.195 1.00 15.00 C ATOM 349 O ASN A 499 4.161 6.659 9.815 1.00 15.00 O ATOM 350 CB ASN A 499 1.090 7.749 9.014 1.00 15.00 C ATOM 351 CG ASN A 499 0.069 6.637 9.186 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.066 5.930 10.191 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.824 6.492 8.218 1.00 15.00 N ATOM 0 H ASN A 499 1.215 6.393 6.845 1.00 15.00 H new ATOM 0 HA ASN A 499 3.023 8.188 8.217 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.328 8.164 9.994 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.642 8.552 8.429 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.545 5.775 8.293 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.790 7.098 7.398 1.00 15.00 H new ATOM 360 N THR A 500 2.699 5.047 9.266 1.00 15.00 N ATOM 361 CA THR A 500 3.499 3.990 9.879 1.00 15.00 C ATOM 362 C THR A 500 4.538 3.463 8.892 1.00 15.00 C ATOM 363 O THR A 500 5.410 2.674 9.258 1.00 15.00 O ATOM 364 CB THR A 500 2.650 2.831 10.446 1.00 15.00 C ATOM 365 OG1 THR A 500 1.953 2.143 9.407 1.00 15.00 O ATOM 366 CG2 THR A 500 1.659 3.342 11.480 1.00 15.00 C ATOM 0 H THR A 500 1.790 4.748 8.913 1.00 15.00 H new ATOM 0 HA THR A 500 4.007 4.443 10.730 1.00 15.00 H new ATOM 0 HB THR A 500 3.333 2.131 10.926 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.202 2.691 9.098 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.072 2.508 11.865 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.200 3.814 12.300 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.993 4.071 11.017 1.00 15.00 H new ATOM 374 N LYS A 501 4.392 3.897 7.631 1.00 15.00 N ATOM 375 CA LYS A 501 5.223 3.464 6.494 1.00 15.00 C ATOM 376 C LYS A 501 5.330 1.944 6.410 1.00 15.00 C ATOM 377 O LYS A 501 6.413 1.393 6.200 1.00 15.00 O ATOM 378 CB LYS A 501 6.623 4.117 6.487 1.00 15.00 C ATOM 379 CG LYS A 501 7.493 3.828 7.700 1.00 15.00 C ATOM 380 CD LYS A 501 8.957 4.105 7.413 1.00 15.00 C ATOM 381 CE LYS A 501 9.543 3.055 6.482 1.00 15.00 C ATOM 382 NZ LYS A 501 9.605 1.716 7.126 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.677 4.574 7.366 1.00 15.00 H new ATOM 0 HA LYS A 501 4.706 3.814 5.601 1.00 15.00 H new ATOM 0 HB2 LYS A 501 7.154 3.785 5.595 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.499 5.197 6.401 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.164 4.440 8.540 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.370 2.787 7.997 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.062 5.092 6.964 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.517 4.119 8.348 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.939 2.995 5.577 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.545 3.358 6.177 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.256 1.104 6.593 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 9.946 1.816 8.103 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.656 1.290 7.133 1.00 15.00 H new ATOM 396 N THR A 502 4.196 1.273 6.527 1.00 15.00 N ATOM 397 CA THR A 502 4.163 -0.172 6.420 1.00 15.00 C ATOM 398 C THR A 502 3.225 -0.612 5.306 1.00 15.00 C ATOM 399 O THR A 502 2.261 0.078 4.954 1.00 15.00 O ATOM 400 CB THR A 502 3.778 -0.863 7.742 1.00 15.00 C ATOM 401 OG1 THR A 502 4.054 -2.268 7.657 1.00 15.00 O ATOM 402 CG2 THR A 502 2.308 -0.659 8.075 1.00 15.00 C ATOM 0 H THR A 502 3.289 1.707 6.696 1.00 15.00 H new ATOM 0 HA THR A 502 5.179 -0.484 6.179 1.00 15.00 H new ATOM 0 HB THR A 502 4.374 -0.412 8.536 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.809 -2.701 8.501 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.075 -1.161 9.014 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.101 0.407 8.172 1.00 15.00 H new ATOM 0 HG23 THR A 502 1.693 -1.077 7.278 1.00 15.00 H new ATOM 410 N THR A 503 3.554 -1.744 4.726 1.00 15.00 N ATOM 411 CA THR A 503 2.812 -2.289 3.610 1.00 15.00 C ATOM 412 C THR A 503 1.682 -3.209 4.086 1.00 15.00 C ATOM 413 O THR A 503 1.902 -4.116 4.891 1.00 15.00 O ATOM 414 CB THR A 503 3.772 -3.049 2.683 1.00 15.00 C ATOM 415 OG1 THR A 503 4.607 -3.922 3.458 1.00 15.00 O ATOM 416 CG2 THR A 503 4.642 -2.076 1.902 1.00 15.00 C ATOM 0 H THR A 503 4.347 -2.316 5.016 1.00 15.00 H new ATOM 0 HA THR A 503 2.353 -1.466 3.062 1.00 15.00 H new ATOM 0 HB THR A 503 3.182 -3.636 1.980 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.077 -4.332 4.173 1.00 15.00 H new ATOM 0 HG21 THR A 503 5.316 -2.633 1.251 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.009 -1.425 1.299 1.00 15.00 H new ATOM 0 HG23 THR A 503 5.226 -1.472 2.596 1.00 15.00 H new ATOM 424 N THR A 504 0.471 -2.966 3.592 1.00 15.00 N ATOM 425 CA THR A 504 -0.702 -3.704 4.040 1.00 15.00 C ATOM 426 C THR A 504 -1.579 -4.136 2.854 1.00 15.00 C ATOM 427 O THR A 504 -1.800 -3.367 1.919 1.00 15.00 O ATOM 428 CB THR A 504 -1.522 -2.831 5.016 1.00 15.00 C ATOM 429 OG1 THR A 504 -0.684 -2.408 6.103 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.721 -3.579 5.573 1.00 15.00 C ATOM 0 H THR A 504 0.278 -2.262 2.880 1.00 15.00 H new ATOM 0 HA THR A 504 -0.364 -4.606 4.551 1.00 15.00 H new ATOM 0 HB THR A 504 -1.889 -1.968 4.460 1.00 15.00 H new ATOM 0 HG1 THR A 504 -1.205 -1.853 6.721 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.270 -2.930 6.255 1.00 15.00 H new ATOM 0 HG22 THR A 504 -3.374 -3.881 4.754 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.380 -4.464 6.111 1.00 15.00 H new ATOM 438 N TRP A 505 -2.049 -5.381 2.885 1.00 15.00 N ATOM 439 CA TRP A 505 -2.970 -5.877 1.859 1.00 15.00 C ATOM 440 C TRP A 505 -4.418 -5.746 2.316 1.00 15.00 C ATOM 441 O TRP A 505 -5.339 -5.724 1.499 1.00 15.00 O ATOM 442 CB TRP A 505 -2.708 -7.348 1.535 1.00 15.00 C ATOM 443 CG TRP A 505 -1.424 -7.622 0.817 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.260 -8.064 1.371 1.00 15.00 C ATOM 445 CD2 TRP A 505 -1.181 -7.500 -0.590 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.688 -8.238 0.394 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.151 -7.893 -0.815 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.958 -7.100 -1.681 1.00 15.00 C ATOM 449 CZ2 TRP A 505 0.721 -7.900 -2.083 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -1.389 -7.107 -2.941 1.00 15.00 C ATOM 451 CH2 TRP A 505 -0.062 -7.505 -3.131 1.00 15.00 C ATOM 0 H TRP A 505 -1.810 -6.064 3.604 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.801 -5.270 0.970 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.714 -7.915 2.466 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.532 -7.723 0.928 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.106 -8.250 2.424 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.640 -8.571 0.546 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.984 -6.791 -1.542 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 1.745 -8.207 -2.234 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -1.979 -6.800 -3.792 1.00 15.00 H new ATOM 0 HH2 TRP A 505 0.353 -7.500 -4.128 1.00 15.00 H new ATOM 462 N GLU A 506 -4.611 -5.705 3.627 1.00 15.00 N ATOM 463 CA GLU A 506 -5.948 -5.689 4.206 1.00 15.00 C ATOM 464 C GLU A 506 -6.567 -4.319 4.105 1.00 15.00 C ATOM 465 O GLU A 506 -5.930 -3.302 4.381 1.00 15.00 O ATOM 466 CB GLU A 506 -5.903 -6.155 5.662 1.00 15.00 C ATOM 467 CG GLU A 506 -7.278 -6.375 6.275 1.00 15.00 C ATOM 468 CD GLU A 506 -7.212 -6.799 7.727 1.00 15.00 C ATOM 469 OE1 GLU A 506 -7.082 -8.013 7.994 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -7.295 -5.921 8.608 1.00 15.00 O ATOM 0 H GLU A 506 -3.856 -5.682 4.312 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.572 -6.380 3.639 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -5.336 -7.084 5.720 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -5.364 -5.416 6.255 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -7.857 -5.455 6.196 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -7.808 -7.136 5.703 1.00 15.00 H new ATOM 477 N ASP A 507 -7.828 -4.317 3.718 1.00 15.00 N ATOM 478 CA ASP A 507 -8.544 -3.091 3.490 1.00 15.00 C ATOM 479 C ASP A 507 -8.898 -2.435 4.827 1.00 15.00 C ATOM 480 O ASP A 507 -9.446 -3.089 5.719 1.00 15.00 O ATOM 481 CB ASP A 507 -9.806 -3.363 2.658 1.00 15.00 C ATOM 482 CG ASP A 507 -10.521 -2.097 2.217 1.00 15.00 C ATOM 483 OD1 ASP A 507 -11.232 -1.494 3.039 1.00 15.00 O ATOM 484 OD2 ASP A 507 -10.402 -1.717 1.030 1.00 15.00 O1- ATOM 0 H ASP A 507 -8.376 -5.162 3.556 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.910 -2.404 2.930 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -9.533 -3.943 1.777 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -10.493 -3.975 3.243 1.00 15.00 H new ATOM 585 N LEU B 928 3.430 -8.927 1.821 1.00 15.00 N ATOM 586 CA LEU B 928 3.880 -7.912 0.880 1.00 15.00 C ATOM 587 C LEU B 928 5.403 -7.826 0.918 1.00 15.00 C ATOM 588 O LEU B 928 5.996 -7.853 2.000 1.00 15.00 O ATOM 589 CB LEU B 928 3.242 -6.567 1.255 1.00 15.00 C ATOM 590 CG LEU B 928 2.985 -5.598 0.096 1.00 15.00 C ATOM 591 CD1 LEU B 928 1.864 -4.640 0.459 1.00 15.00 C ATOM 592 CD2 LEU B 928 4.239 -4.816 -0.261 1.00 15.00 C ATOM 0 HA LEU B 928 3.577 -8.172 -0.134 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.293 -6.764 1.754 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.887 -6.071 1.980 1.00 15.00 H new ATOM 0 HG LEU B 928 2.694 -6.185 -0.775 1.00 15.00 H new ATOM 0 HD11 LEU B 928 1.688 -3.955 -0.370 1.00 15.00 H new ATOM 0 HD12 LEU B 928 0.954 -5.205 0.662 1.00 15.00 H new ATOM 0 HD13 LEU B 928 2.144 -4.072 1.346 1.00 15.00 H new ATOM 0 HD21 LEU B 928 4.022 -4.138 -1.087 1.00 15.00 H new ATOM 0 HD22 LEU B 928 4.568 -4.241 0.604 1.00 15.00 H new ATOM 0 HD23 LEU B 928 5.027 -5.508 -0.557 1.00 15.00 H new ATOM 604 N PRO B 929 6.057 -7.718 -0.253 1.00 15.00 N ATOM 605 CA PRO B 929 7.520 -7.641 -0.326 1.00 15.00 C ATOM 606 C PRO B 929 8.062 -6.468 0.494 1.00 15.00 C ATOM 607 O PRO B 929 7.389 -5.443 0.632 1.00 15.00 O ATOM 608 CB PRO B 929 7.802 -7.435 -1.821 1.00 15.00 C ATOM 609 CG PRO B 929 6.511 -6.993 -2.419 1.00 15.00 C ATOM 610 CD PRO B 929 5.433 -7.620 -1.586 1.00 15.00 C ATOM 0 HA PRO B 929 8.002 -8.530 0.081 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.580 -6.687 -1.973 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.152 -8.358 -2.284 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.429 -5.906 -2.410 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.434 -7.310 -3.459 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.532 -7.008 -1.565 1.00 15.00 H new ATOM 0 HD3 PRO B 929 5.145 -8.599 -1.969 1.00 15.00 H new ATOM 618 N PRO B 930 9.290 -6.601 1.033 1.00 15.00 N ATOM 619 CA PRO B 930 9.936 -5.551 1.833 1.00 15.00 C ATOM 620 C PRO B 930 9.862 -4.204 1.131 1.00 15.00 C ATOM 621 O PRO B 930 10.131 -4.107 -0.071 1.00 15.00 O ATOM 622 CB PRO B 930 11.396 -6.021 1.947 1.00 15.00 C ATOM 623 CG PRO B 930 11.524 -7.174 1.008 1.00 15.00 C ATOM 624 CD PRO B 930 10.155 -7.774 0.899 1.00 15.00 C ATOM 0 HA PRO B 930 9.457 -5.411 2.802 1.00 15.00 H new ATOM 0 HB2 PRO B 930 12.087 -5.221 1.681 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.632 -6.320 2.968 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.884 -6.845 0.033 1.00 15.00 H new ATOM 0 HG3 PRO B 930 12.241 -7.904 1.383 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.008 -8.281 -0.055 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.969 -8.508 1.683 1.00 15.00 H new ATOM 632 N TYR B 931 9.499 -3.167 1.874 1.00 15.00 N ATOM 633 CA TYR B 931 9.153 -1.901 1.259 1.00 15.00 C ATOM 634 C TYR B 931 10.374 -1.244 0.619 1.00 15.00 C ATOM 635 O TYR B 931 11.367 -0.934 1.282 1.00 15.00 O ATOM 636 CB TYR B 931 8.536 -0.976 2.322 1.00 15.00 C ATOM 637 CG TYR B 931 7.960 0.326 1.795 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.591 0.465 0.463 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.777 1.418 2.641 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.061 1.647 -0.012 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.244 2.604 2.171 1.00 15.00 C ATOM 642 CZ TYR B 931 6.890 2.711 0.844 1.00 15.00 C ATOM 643 OH TYR B 931 6.353 3.885 0.370 1.00 15.00 O ATOM 0 H TYR B 931 9.438 -3.180 2.892 1.00 15.00 H new ATOM 0 HA TYR B 931 8.427 -2.081 0.466 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.746 -1.521 2.839 1.00 15.00 H new ATOM 0 HB3 TYR B 931 9.300 -0.742 3.064 1.00 15.00 H new ATOM 0 HD1 TYR B 931 7.721 -0.367 -0.213 1.00 15.00 H new ATOM 0 HD2 TYR B 931 8.056 1.337 3.681 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.781 1.737 -1.051 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.106 3.441 2.840 1.00 15.00 H new ATOM 0 HH TYR B 931 6.297 4.537 1.099 1.00 15.00 H new ATOM 653 N GLU B 932 10.278 -1.054 -0.685 1.00 15.00 N ATOM 654 CA GLU B 932 11.171 -0.187 -1.422 1.00 15.00 C ATOM 655 C GLU B 932 10.367 1.025 -1.840 1.00 15.00 C ATOM 656 O GLU B 932 9.282 0.863 -2.408 1.00 15.00 O ATOM 657 CB GLU B 932 11.736 -0.909 -2.647 1.00 15.00 C ATOM 658 CG GLU B 932 12.898 -0.172 -3.292 1.00 15.00 C ATOM 659 CD GLU B 932 14.036 0.044 -2.318 1.00 15.00 C ATOM 660 OE1 GLU B 932 14.881 -0.865 -2.178 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 14.076 1.109 -1.672 1.00 15.00 O ATOM 0 H GLU B 932 9.570 -1.503 -1.265 1.00 15.00 H new ATOM 0 HA GLU B 932 12.020 0.107 -0.804 1.00 15.00 H new ATOM 0 HB2 GLU B 932 12.064 -1.906 -2.354 1.00 15.00 H new ATOM 0 HB3 GLU B 932 10.942 -1.038 -3.383 1.00 15.00 H new ATOM 0 HG2 GLU B 932 13.257 -0.740 -4.150 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.554 0.791 -3.668 1.00 15.00 H new ATOM 668 N THR B 933 10.848 2.225 -1.566 1.00 15.00 N ATOM 669 CA THR B 933 10.042 3.398 -1.844 1.00 15.00 C ATOM 670 C THR B 933 9.787 3.548 -3.340 1.00 15.00 C ATOM 671 O THR B 933 10.712 3.669 -4.147 1.00 15.00 O ATOM 672 CB THR B 933 10.669 4.692 -1.297 1.00 15.00 C ATOM 673 OG1 THR B 933 11.132 4.481 0.047 1.00 15.00 O ATOM 674 CG2 THR B 933 9.637 5.817 -1.308 1.00 15.00 C ATOM 0 H THR B 933 11.766 2.410 -1.163 1.00 15.00 H new ATOM 0 HA THR B 933 9.095 3.243 -1.328 1.00 15.00 H new ATOM 0 HB THR B 933 11.511 4.970 -1.930 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.532 5.308 0.389 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.089 6.729 -0.919 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.296 5.988 -2.329 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.788 5.538 -0.684 1.00 15.00 H new ATOM 682 N PHE B 934 8.515 3.522 -3.679 1.00 15.00 N ATOM 683 CA PHE B 934 8.039 3.775 -5.023 1.00 15.00 C ATOM 684 C PHE B 934 7.838 5.287 -5.176 1.00 15.00 C ATOM 685 O PHE B 934 8.132 6.035 -4.241 1.00 15.00 O ATOM 686 CB PHE B 934 6.746 2.992 -5.303 1.00 15.00 C ATOM 687 CG PHE B 934 5.559 3.562 -4.601 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.262 3.220 -3.291 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.771 4.487 -5.246 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.193 3.797 -2.649 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.714 5.075 -4.607 1.00 15.00 C ATOM 692 CZ PHE B 934 3.426 4.731 -3.311 1.00 15.00 C ATOM 0 H PHE B 934 7.768 3.320 -3.014 1.00 15.00 H new ATOM 0 HA PHE B 934 8.769 3.432 -5.756 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.558 2.983 -6.377 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.881 1.955 -4.995 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.874 2.497 -2.772 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.990 4.752 -6.270 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.955 3.520 -1.632 1.00 15.00 H new ATOM 0 HE2 PHE B 934 3.109 5.807 -5.121 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.592 5.195 -2.806 1.00 15.00 H new ATOM 702 N GLU B 935 7.385 5.735 -6.345 1.00 15.00 N ATOM 703 CA GLU B 935 7.291 7.167 -6.657 1.00 15.00 C ATOM 704 C GLU B 935 6.615 7.964 -5.531 1.00 15.00 C ATOM 705 O GLU B 935 5.626 7.529 -4.938 1.00 15.00 O ATOM 706 CB GLU B 935 6.501 7.355 -7.959 1.00 15.00 C ATOM 707 CG GLU B 935 5.003 7.100 -7.824 1.00 15.00 C ATOM 708 CD GLU B 935 4.460 6.245 -8.948 1.00 15.00 C ATOM 709 OE1 GLU B 935 4.077 6.809 -9.994 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 4.404 5.006 -8.789 1.00 15.00 O ATOM 0 H GLU B 935 7.074 5.124 -7.100 1.00 15.00 H new ATOM 0 HA GLU B 935 8.306 7.547 -6.767 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.654 8.372 -8.320 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.906 6.684 -8.716 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.805 6.610 -6.870 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.475 8.053 -7.809 1.00 15.00 H new ATOM 717 N ASP B 936 7.163 9.144 -5.261 1.00 15.00 N ATOM 718 CA ASP B 936 6.708 9.990 -4.163 1.00 15.00 C ATOM 719 C ASP B 936 5.318 10.555 -4.443 1.00 15.00 C ATOM 720 O ASP B 936 5.017 10.958 -5.570 1.00 15.00 O ATOM 721 CB ASP B 936 7.704 11.131 -3.948 1.00 15.00 C ATOM 722 CG ASP B 936 7.349 12.002 -2.760 1.00 15.00 C ATOM 723 OD1 ASP B 936 7.546 11.552 -1.610 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 6.879 13.141 -2.967 1.00 15.00 O ATOM 0 H ASP B 936 7.935 9.541 -5.797 1.00 15.00 H new ATOM 0 HA ASP B 936 6.649 9.382 -3.260 1.00 15.00 H new ATOM 0 HB2 ASP B 936 8.701 10.715 -3.803 1.00 15.00 H new ATOM 0 HB3 ASP B 936 7.743 11.747 -4.846 1.00 15.00 H new ATOM 729 N LEU B 937 4.484 10.600 -3.412 1.00 15.00 N ATOM 730 CA LEU B 937 3.119 11.094 -3.548 1.00 15.00 C ATOM 731 C LEU B 937 3.037 12.554 -3.117 1.00 15.00 C ATOM 732 O LEU B 937 2.889 12.859 -1.933 1.00 15.00 O ATOM 733 CB LEU B 937 2.132 10.247 -2.721 1.00 15.00 C ATOM 734 CG LEU B 937 2.036 8.762 -3.096 1.00 15.00 C ATOM 735 CD1 LEU B 937 1.900 8.585 -4.601 1.00 15.00 C ATOM 736 CD2 LEU B 937 3.234 7.993 -2.562 1.00 15.00 C ATOM 0 H LEU B 937 4.730 10.299 -2.469 1.00 15.00 H new ATOM 0 HA LEU B 937 2.840 11.014 -4.599 1.00 15.00 H new ATOM 0 HB2 LEU B 937 2.416 10.318 -1.671 1.00 15.00 H new ATOM 0 HB3 LEU B 937 1.140 10.689 -2.814 1.00 15.00 H new ATOM 0 HG LEU B 937 1.138 8.354 -2.632 1.00 15.00 H new ATOM 0 HD11 LEU B 937 1.834 7.523 -4.838 1.00 15.00 H new ATOM 0 HD12 LEU B 937 0.998 9.091 -4.947 1.00 15.00 H new ATOM 0 HD13 LEU B 937 2.770 9.014 -5.098 1.00 15.00 H new ATOM 0 HD21 LEU B 937 3.145 6.943 -2.839 1.00 15.00 H new ATOM 0 HD22 LEU B 937 4.149 8.404 -2.987 1.00 15.00 H new ATOM 0 HD23 LEU B 937 3.267 8.080 -1.476 1.00 15.00 H new