USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=9 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 HE2:sc= -1.01 K(o=-0.89,f=-1.9!) USER MOD Set 1.2: B 931 TYR OH : rot -10:sc= 0.125 USER MOD Set 2.1: A 500 THR OG1 : rot -32:sc= 0.726 USER MOD Set 2.2: A 502 THR OG1 : rot 95:sc= 0.695 USER MOD Single : A 485 MET CE :methyl -111:sc= -0.0444 (180deg=-0.866) USER MOD Single : A 490 ASN : amide:sc= 0.0105 X(o=0.01,f=-0.43) USER MOD Single : A 499 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 501 LYS NZ :NH3+ -151:sc= -1.53! (180deg=-3.1!) USER MOD Single : A 503 THR OG1 : rot 45:sc= -1.04! USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.31 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 479 -8.950 6.995 0.059 1.00 15.00 N ATOM 22 CA LEU A 479 -8.102 6.307 1.015 1.00 15.00 C ATOM 23 C LEU A 479 -7.622 7.304 2.072 1.00 15.00 C ATOM 24 O LEU A 479 -7.280 8.443 1.742 1.00 15.00 O ATOM 25 CB LEU A 479 -6.908 5.665 0.294 1.00 15.00 C ATOM 26 CG LEU A 479 -6.668 4.181 0.613 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.755 3.311 0.001 1.00 15.00 C ATOM 28 CD2 LEU A 479 -5.313 3.730 0.104 1.00 15.00 C ATOM 0 HA LEU A 479 -8.669 5.515 1.505 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.055 5.769 -0.781 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.008 6.224 0.548 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.694 4.071 1.697 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -7.562 2.265 0.241 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -8.725 3.603 0.404 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.758 3.440 -1.081 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -5.167 2.676 0.342 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.266 3.868 -0.976 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.530 4.321 0.580 1.00 15.00 H new ATOM 40 N PRO A 480 -7.615 6.887 3.353 1.00 15.00 N ATOM 41 CA PRO A 480 -7.174 7.714 4.498 1.00 15.00 C ATOM 42 C PRO A 480 -5.882 8.498 4.245 1.00 15.00 C ATOM 43 O PRO A 480 -5.075 8.126 3.395 1.00 15.00 O ATOM 44 CB PRO A 480 -6.939 6.654 5.567 1.00 15.00 C ATOM 45 CG PRO A 480 -8.002 5.662 5.307 1.00 15.00 C ATOM 46 CD PRO A 480 -8.053 5.549 3.809 1.00 15.00 C ATOM 0 HA PRO A 480 -7.902 8.487 4.745 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.947 6.211 5.482 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.016 7.072 6.571 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.771 4.702 5.770 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.959 5.990 5.713 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.393 4.763 3.442 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.057 5.313 3.457 1.00 15.00 H new ATOM 54 N PRO A 481 -5.662 9.584 5.013 1.00 15.00 N ATOM 55 CA PRO A 481 -4.462 10.422 4.887 1.00 15.00 C ATOM 56 C PRO A 481 -3.172 9.613 4.986 1.00 15.00 C ATOM 57 O PRO A 481 -2.881 8.998 6.011 1.00 15.00 O ATOM 58 CB PRO A 481 -4.578 11.394 6.063 1.00 15.00 C ATOM 59 CG PRO A 481 -6.035 11.460 6.348 1.00 15.00 C ATOM 60 CD PRO A 481 -6.566 10.082 6.068 1.00 15.00 C ATOM 0 HA PRO A 481 -4.412 10.914 3.916 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -4.020 11.038 6.929 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.178 12.376 5.808 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -6.219 11.748 7.383 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.524 12.204 5.719 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.536 9.450 6.956 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.602 10.110 5.731 1.00 15.00 H new ATOM 68 N GLY A 482 -2.427 9.592 3.894 1.00 15.00 N ATOM 69 CA GLY A 482 -1.185 8.854 3.844 1.00 15.00 C ATOM 70 C GLY A 482 -1.369 7.464 3.301 1.00 15.00 C ATOM 71 O GLY A 482 -0.398 6.789 2.985 1.00 15.00 O ATOM 0 H GLY A 482 -2.665 10.080 3.030 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.470 9.393 3.223 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.758 8.797 4.845 1.00 15.00 H new ATOM 75 N TRP A 483 -2.610 7.042 3.170 1.00 15.00 N ATOM 76 CA TRP A 483 -2.900 5.749 2.598 1.00 15.00 C ATOM 77 C TRP A 483 -3.051 5.908 1.109 1.00 15.00 C ATOM 78 O TRP A 483 -3.962 6.580 0.626 1.00 15.00 O ATOM 79 CB TRP A 483 -4.168 5.137 3.192 1.00 15.00 C ATOM 80 CG TRP A 483 -3.997 4.683 4.602 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.024 5.464 5.715 1.00 15.00 C ATOM 82 CD2 TRP A 483 -3.776 3.342 5.051 1.00 15.00 C ATOM 83 NE1 TRP A 483 -3.819 4.696 6.837 1.00 15.00 N ATOM 84 CE2 TRP A 483 -3.665 3.387 6.455 1.00 15.00 C ATOM 85 CE3 TRP A 483 -3.657 2.108 4.400 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -3.439 2.242 7.217 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.436 0.976 5.158 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.330 1.047 6.553 1.00 15.00 C ATOM 0 H TRP A 483 -3.431 7.577 3.452 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.078 5.071 2.828 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.973 5.871 3.149 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.476 4.290 2.579 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.183 6.532 5.717 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.787 5.042 7.796 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.737 2.043 3.325 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -3.353 2.294 8.292 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.343 0.019 4.667 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.159 0.142 7.117 1.00 15.00 H new ATOM 99 N GLU A 484 -2.128 5.320 0.389 1.00 15.00 N ATOM 100 CA GLU A 484 -2.101 5.442 -1.038 1.00 15.00 C ATOM 101 C GLU A 484 -2.157 4.082 -1.697 1.00 15.00 C ATOM 102 O GLU A 484 -1.324 3.215 -1.450 1.00 15.00 O ATOM 103 CB GLU A 484 -0.865 6.219 -1.454 1.00 15.00 C ATOM 104 CG GLU A 484 -1.136 7.700 -1.590 1.00 15.00 C ATOM 105 CD GLU A 484 -2.337 7.988 -2.467 1.00 15.00 C ATOM 106 OE1 GLU A 484 -2.364 7.514 -3.622 1.00 15.00 O ATOM 107 OE2 GLU A 484 -3.255 8.703 -2.008 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.380 4.747 0.778 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.982 5.991 -1.371 1.00 15.00 H new ATOM 0 HB2 GLU A 484 -0.076 6.063 -0.719 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.497 5.831 -2.404 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -1.300 8.129 -0.602 1.00 15.00 H new ATOM 0 HG3 GLU A 484 -0.257 8.191 -2.009 1.00 15.00 H new ATOM 114 N MET A 485 -3.146 3.921 -2.546 1.00 15.00 N ATOM 115 CA MET A 485 -3.417 2.647 -3.188 1.00 15.00 C ATOM 116 C MET A 485 -2.768 2.600 -4.569 1.00 15.00 C ATOM 117 O MET A 485 -3.079 3.404 -5.448 1.00 15.00 O ATOM 118 CB MET A 485 -4.936 2.411 -3.245 1.00 15.00 C ATOM 119 CG MET A 485 -5.384 1.409 -4.293 1.00 15.00 C ATOM 120 SD MET A 485 -6.721 0.331 -3.746 1.00 15.00 S ATOM 121 CE MET A 485 -8.029 1.519 -3.454 1.00 15.00 C ATOM 0 H MET A 485 -3.788 4.667 -2.814 1.00 15.00 H new ATOM 0 HA MET A 485 -2.978 1.838 -2.605 1.00 15.00 H new ATOM 0 HB2 MET A 485 -5.274 2.068 -2.267 1.00 15.00 H new ATOM 0 HB3 MET A 485 -5.431 3.363 -3.437 1.00 15.00 H new ATOM 0 HG2 MET A 485 -5.706 1.949 -5.183 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.531 0.796 -4.583 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.228 1.586 -2.384 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.723 2.496 -3.828 1.00 15.00 H new ATOM 0 HE3 MET A 485 -8.933 1.199 -3.972 1.00 15.00 H new ATOM 131 N ARG A 486 -1.846 1.661 -4.733 1.00 15.00 N ATOM 132 CA ARG A 486 -1.041 1.553 -5.943 1.00 15.00 C ATOM 133 C ARG A 486 -0.889 0.102 -6.359 1.00 15.00 C ATOM 134 O ARG A 486 -0.900 -0.798 -5.521 1.00 15.00 O ATOM 135 CB ARG A 486 0.341 2.161 -5.712 1.00 15.00 C ATOM 136 CG ARG A 486 0.370 3.680 -5.772 1.00 15.00 C ATOM 137 CD ARG A 486 0.337 4.176 -7.207 1.00 15.00 C ATOM 138 NE ARG A 486 1.489 3.693 -7.976 1.00 15.00 N ATOM 139 CZ ARG A 486 1.541 3.649 -9.309 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.522 4.081 -10.041 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.619 3.176 -9.914 1.00 15.00 N ATOM 0 H ARG A 486 -1.635 0.952 -4.031 1.00 15.00 H new ATOM 0 HA ARG A 486 -1.550 2.098 -6.738 1.00 15.00 H new ATOM 0 HB2 ARG A 486 0.709 1.840 -4.738 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.029 1.766 -6.459 1.00 15.00 H new ATOM 0 HG2 ARG A 486 -0.482 4.084 -5.226 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.269 4.049 -5.278 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.584 3.844 -7.685 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.326 5.266 -7.215 1.00 15.00 H new ATOM 0 HE ARG A 486 2.305 3.369 -7.457 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.312 4.452 -9.586 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.573 4.043 -11.059 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.410 2.845 -9.362 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.659 3.142 -10.933 1.00 15.00 H new ATOM 155 N ILE A 487 -0.750 -0.121 -7.651 1.00 15.00 N ATOM 156 CA ILE A 487 -0.526 -1.462 -8.162 1.00 15.00 C ATOM 157 C ILE A 487 0.965 -1.772 -8.232 1.00 15.00 C ATOM 158 O ILE A 487 1.772 -0.937 -8.644 1.00 15.00 O ATOM 159 CB ILE A 487 -1.156 -1.658 -9.561 1.00 15.00 C ATOM 160 CG1 ILE A 487 -2.679 -1.542 -9.485 1.00 15.00 C ATOM 161 CG2 ILE A 487 -0.764 -3.004 -10.157 1.00 15.00 C ATOM 162 CD1 ILE A 487 -3.372 -1.911 -10.780 1.00 15.00 C ATOM 0 H ILE A 487 -0.788 0.606 -8.366 1.00 15.00 H new ATOM 0 HA ILE A 487 -1.009 -2.150 -7.468 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.773 -0.871 -10.211 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -3.046 -2.188 -8.687 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.946 -0.520 -9.216 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -1.222 -3.114 -11.140 1.00 15.00 H new ATOM 0 HG22 ILE A 487 0.320 -3.057 -10.253 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.110 -3.806 -9.504 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -4.450 -1.807 -10.658 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.032 -1.249 -11.576 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.134 -2.943 -11.039 1.00 15.00 H new ATOM 174 N ALA A 488 1.320 -2.976 -7.809 1.00 15.00 N ATOM 175 CA ALA A 488 2.674 -3.479 -7.959 1.00 15.00 C ATOM 176 C ALA A 488 2.776 -4.194 -9.304 1.00 15.00 C ATOM 177 O ALA A 488 1.782 -4.750 -9.773 1.00 15.00 O ATOM 178 CB ALA A 488 3.023 -4.421 -6.811 1.00 15.00 C ATOM 0 H ALA A 488 0.680 -3.628 -7.355 1.00 15.00 H new ATOM 0 HA ALA A 488 3.385 -2.653 -7.931 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.041 -4.789 -6.939 1.00 15.00 H new ATOM 0 HB2 ALA A 488 2.947 -3.885 -5.865 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.331 -5.263 -6.808 1.00 15.00 H new ATOM 184 N PRO A 489 3.968 -4.197 -9.938 1.00 15.00 N ATOM 185 CA PRO A 489 4.158 -4.700 -11.318 1.00 15.00 C ATOM 186 C PRO A 489 3.686 -6.141 -11.542 1.00 15.00 C ATOM 187 O PRO A 489 3.681 -6.630 -12.673 1.00 15.00 O ATOM 188 CB PRO A 489 5.670 -4.599 -11.532 1.00 15.00 C ATOM 189 CG PRO A 489 6.118 -3.548 -10.577 1.00 15.00 C ATOM 190 CD PRO A 489 5.235 -3.692 -9.370 1.00 15.00 C ATOM 0 HA PRO A 489 3.559 -4.119 -12.019 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.162 -5.551 -11.333 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.907 -4.326 -12.560 1.00 15.00 H new ATOM 0 HG2 PRO A 489 7.167 -3.681 -10.313 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.023 -2.555 -11.015 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.656 -4.387 -8.643 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.096 -2.740 -8.857 1.00 15.00 H new ATOM 198 N ASN A 490 3.296 -6.817 -10.471 1.00 15.00 N ATOM 199 CA ASN A 490 2.796 -8.182 -10.566 1.00 15.00 C ATOM 200 C ASN A 490 1.316 -8.186 -10.946 1.00 15.00 C ATOM 201 O ASN A 490 0.754 -9.231 -11.284 1.00 15.00 O ATOM 202 CB ASN A 490 2.974 -8.923 -9.237 1.00 15.00 C ATOM 203 CG ASN A 490 4.323 -8.676 -8.591 1.00 15.00 C ATOM 204 OD1 ASN A 490 4.480 -7.746 -7.798 1.00 15.00 O ATOM 205 ND2 ASN A 490 5.304 -9.495 -8.927 1.00 15.00 N ATOM 0 H ASN A 490 3.316 -6.441 -9.523 1.00 15.00 H new ATOM 0 HA ASN A 490 3.371 -8.691 -11.339 1.00 15.00 H new ATOM 0 HB2 ASN A 490 2.187 -8.615 -8.549 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.850 -9.993 -9.405 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.233 -9.369 -8.526 1.00 15.00 H new ATOM 0 HD22 ASN A 490 5.132 -10.253 -9.588 1.00 15.00 H new ATOM 212 N GLY A 491 0.685 -7.016 -10.882 1.00 15.00 N ATOM 213 CA GLY A 491 -0.737 -6.925 -11.138 1.00 15.00 C ATOM 214 C GLY A 491 -1.538 -6.986 -9.857 1.00 15.00 C ATOM 215 O GLY A 491 -2.709 -7.365 -9.861 1.00 15.00 O ATOM 0 H GLY A 491 1.137 -6.130 -10.657 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.954 -5.993 -11.660 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -1.041 -7.738 -11.797 1.00 15.00 H new ATOM 219 N ARG A 492 -0.905 -6.611 -8.756 1.00 15.00 N ATOM 220 CA ARG A 492 -1.550 -6.657 -7.452 1.00 15.00 C ATOM 221 C ARG A 492 -1.549 -5.283 -6.792 1.00 15.00 C ATOM 222 O ARG A 492 -0.500 -4.651 -6.667 1.00 15.00 O ATOM 223 CB ARG A 492 -0.867 -7.691 -6.544 1.00 15.00 C ATOM 224 CG ARG A 492 0.657 -7.635 -6.529 1.00 15.00 C ATOM 225 CD ARG A 492 1.229 -8.906 -5.912 1.00 15.00 C ATOM 226 NE ARG A 492 2.638 -8.784 -5.532 1.00 15.00 N ATOM 227 CZ ARG A 492 3.270 -9.679 -4.764 1.00 15.00 C ATOM 228 NH1 ARG A 492 2.629 -10.761 -4.350 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 4.537 -9.499 -4.412 1.00 15.00 N ATOM 0 H ARG A 492 0.056 -6.271 -8.739 1.00 15.00 H new ATOM 0 HA ARG A 492 -2.586 -6.960 -7.601 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -1.230 -7.553 -5.526 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -1.175 -8.688 -6.859 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.033 -7.515 -7.545 1.00 15.00 H new ATOM 0 HG3 ARG A 492 0.990 -6.766 -5.962 1.00 15.00 H new ATOM 0 HD2 ARG A 492 0.644 -9.168 -5.031 1.00 15.00 H new ATOM 0 HD3 ARG A 492 1.121 -9.726 -6.622 1.00 15.00 H new ATOM 0 HE ARG A 492 3.163 -7.977 -5.869 1.00 15.00 H new ATOM 0 HH11 ARG A 492 1.656 -10.911 -4.617 1.00 15.00 H new ATOM 0 HH12 ARG A 492 3.108 -11.445 -3.764 1.00 15.00 H new ATOM 0 HH21 ARG A 492 5.041 -8.670 -4.727 1.00 15.00 H new ATOM 0 HH22 ARG A 492 5.007 -10.189 -3.826 1.00 15.00 H new ATOM 243 N PRO A 493 -2.727 -4.808 -6.361 1.00 15.00 N ATOM 244 CA PRO A 493 -2.869 -3.515 -5.705 1.00 15.00 C ATOM 245 C PRO A 493 -2.706 -3.605 -4.193 1.00 15.00 C ATOM 246 O PRO A 493 -3.379 -4.394 -3.526 1.00 15.00 O ATOM 247 CB PRO A 493 -4.291 -3.108 -6.077 1.00 15.00 C ATOM 248 CG PRO A 493 -5.044 -4.392 -6.231 1.00 15.00 C ATOM 249 CD PRO A 493 -4.030 -5.483 -6.501 1.00 15.00 C ATOM 0 HA PRO A 493 -2.106 -2.802 -6.018 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.736 -2.482 -5.303 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.305 -2.531 -7.001 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.614 -4.613 -5.329 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.759 -4.321 -7.051 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -4.131 -6.305 -5.792 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -4.155 -5.905 -7.498 1.00 15.00 H new ATOM 257 N PHE A 494 -1.806 -2.801 -3.655 1.00 15.00 N ATOM 258 CA PHE A 494 -1.546 -2.802 -2.226 1.00 15.00 C ATOM 259 C PHE A 494 -1.689 -1.398 -1.642 1.00 15.00 C ATOM 260 O PHE A 494 -1.462 -0.397 -2.328 1.00 15.00 O ATOM 261 CB PHE A 494 -0.164 -3.411 -1.908 1.00 15.00 C ATOM 262 CG PHE A 494 1.043 -2.800 -2.607 1.00 15.00 C ATOM 263 CD1 PHE A 494 0.972 -1.605 -3.315 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.266 -3.453 -2.547 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.093 -1.078 -3.943 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.385 -2.933 -3.173 1.00 15.00 C ATOM 267 CZ PHE A 494 3.298 -1.745 -3.869 1.00 15.00 C ATOM 0 H PHE A 494 -1.242 -2.138 -4.187 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.296 -3.434 -1.750 1.00 15.00 H new ATOM 0 HB2 PHE A 494 -0.003 -3.340 -0.832 1.00 15.00 H new ATOM 0 HB3 PHE A 494 -0.197 -4.472 -2.156 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.031 -1.079 -3.377 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.346 -4.382 -2.003 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.021 -0.148 -4.488 1.00 15.00 H new ATOM 0 HE2 PHE A 494 4.327 -3.458 -3.117 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.172 -1.338 -4.355 1.00 15.00 H new ATOM 277 N PHE A 495 -2.085 -1.323 -0.380 1.00 15.00 N ATOM 278 CA PHE A 495 -2.252 -0.039 0.278 1.00 15.00 C ATOM 279 C PHE A 495 -0.959 0.363 0.966 1.00 15.00 C ATOM 280 O PHE A 495 -0.466 -0.347 1.845 1.00 15.00 O ATOM 281 CB PHE A 495 -3.395 -0.084 1.294 1.00 15.00 C ATOM 282 CG PHE A 495 -4.669 -0.651 0.738 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.367 0.013 -0.258 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.167 -1.855 1.209 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.533 -0.514 -0.773 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.335 -2.387 0.696 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.019 -1.714 -0.295 1.00 15.00 C ATOM 0 H PHE A 495 -2.295 -2.132 0.205 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.502 0.702 -0.481 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.085 -0.681 2.152 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.585 0.925 1.660 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.994 0.954 -0.635 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.636 -2.384 1.986 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -7.066 0.013 -1.551 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.711 -3.328 1.070 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.933 -2.126 -0.696 1.00 15.00 H new ATOM 297 N ILE A 496 -0.400 1.479 0.540 1.00 15.00 N ATOM 298 CA ILE A 496 0.807 2.007 1.152 1.00 15.00 C ATOM 299 C ILE A 496 0.449 3.124 2.111 1.00 15.00 C ATOM 300 O ILE A 496 0.099 4.216 1.667 1.00 15.00 O ATOM 301 CB ILE A 496 1.778 2.612 0.115 1.00 15.00 C ATOM 302 CG1 ILE A 496 1.859 1.770 -1.164 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.156 2.762 0.743 1.00 15.00 C ATOM 304 CD1 ILE A 496 2.587 0.458 -0.999 1.00 15.00 C ATOM 0 H ILE A 496 -0.763 2.040 -0.230 1.00 15.00 H new ATOM 0 HA ILE A 496 1.287 1.168 1.656 1.00 15.00 H new ATOM 0 HB ILE A 496 1.395 3.590 -0.176 1.00 15.00 H new ATOM 0 HG12 ILE A 496 0.848 1.569 -1.517 1.00 15.00 H new ATOM 0 HG13 ILE A 496 2.357 2.354 -1.938 1.00 15.00 H new ATOM 0 HG21 ILE A 496 3.844 3.189 0.013 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.091 3.420 1.609 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.521 1.784 1.057 1.00 15.00 H new ATOM 0 HD11 ILE A 496 2.598 -0.074 -1.950 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.611 0.648 -0.677 1.00 15.00 H new ATOM 0 HD13 ILE A 496 2.078 -0.149 -0.250 1.00 15.00 H new ATOM 316 N ASP A 497 0.519 2.885 3.409 1.00 15.00 N ATOM 317 CA ASP A 497 0.327 3.983 4.332 1.00 15.00 C ATOM 318 C ASP A 497 1.663 4.631 4.620 1.00 15.00 C ATOM 319 O ASP A 497 2.615 4.013 5.102 1.00 15.00 O ATOM 320 CB ASP A 497 -0.409 3.598 5.616 1.00 15.00 C ATOM 321 CG ASP A 497 0.485 3.159 6.758 1.00 15.00 C ATOM 322 OD1 ASP A 497 1.058 4.040 7.434 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.589 1.943 7.013 1.00 15.00 O1- ATOM 0 H ASP A 497 0.700 1.975 3.834 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.334 4.702 3.847 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.003 4.450 5.946 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.107 2.792 5.390 1.00 15.00 H new ATOM 328 N HIS A 498 1.736 5.876 4.243 1.00 15.00 N ATOM 329 CA HIS A 498 2.972 6.620 4.304 1.00 15.00 C ATOM 330 C HIS A 498 3.252 7.133 5.711 1.00 15.00 C ATOM 331 O HIS A 498 4.381 7.514 6.024 1.00 15.00 O ATOM 332 CB HIS A 498 2.960 7.750 3.266 1.00 15.00 C ATOM 333 CG HIS A 498 2.973 7.232 1.854 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.140 6.961 1.172 1.00 15.00 N ATOM 335 CD2 HIS A 498 1.959 6.870 1.014 1.00 15.00 C ATOM 336 CE1 HIS A 498 3.856 6.451 -0.009 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.542 6.386 -0.134 1.00 15.00 N ATOM 0 H HIS A 498 0.943 6.408 3.884 1.00 15.00 H new ATOM 0 HA HIS A 498 3.793 5.947 4.057 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.074 8.367 3.415 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.827 8.392 3.422 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.081 7.130 1.528 1.00 15.00 H new ATOM 0 HD2 HIS A 498 0.900 6.949 1.213 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.576 6.138 -0.751 1.00 15.00 H new ATOM 346 N ASN A 499 2.229 7.131 6.566 1.00 15.00 N ATOM 347 CA ASN A 499 2.368 7.704 7.903 1.00 15.00 C ATOM 348 C ASN A 499 3.067 6.750 8.878 1.00 15.00 C ATOM 349 O ASN A 499 3.992 7.161 9.581 1.00 15.00 O ATOM 350 CB ASN A 499 1.013 8.173 8.459 1.00 15.00 C ATOM 351 CG ASN A 499 -0.071 7.110 8.400 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.221 6.306 9.317 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.859 7.127 7.333 1.00 15.00 N ATOM 0 H ASN A 499 1.308 6.745 6.360 1.00 15.00 H new ATOM 0 HA ASN A 499 3.010 8.579 7.801 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.144 8.489 9.494 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.683 9.048 7.898 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.623 6.456 7.252 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.701 7.811 6.593 1.00 15.00 H new ATOM 360 N THR A 500 2.619 5.498 8.971 1.00 15.00 N ATOM 361 CA THR A 500 3.347 4.508 9.760 1.00 15.00 C ATOM 362 C THR A 500 4.517 3.968 8.951 1.00 15.00 C ATOM 363 O THR A 500 5.409 3.315 9.494 1.00 15.00 O ATOM 364 CB THR A 500 2.467 3.331 10.248 1.00 15.00 C ATOM 365 OG1 THR A 500 2.196 2.420 9.179 1.00 15.00 O ATOM 366 CG2 THR A 500 1.157 3.830 10.838 1.00 15.00 C ATOM 0 H THR A 500 1.773 5.151 8.519 1.00 15.00 H new ATOM 0 HA THR A 500 3.699 5.024 10.653 1.00 15.00 H new ATOM 0 HB THR A 500 3.024 2.810 11.027 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.145 2.913 8.334 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.561 2.980 11.172 1.00 15.00 H new ATOM 0 HG22 THR A 500 1.365 4.483 11.686 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.605 4.385 10.080 1.00 15.00 H new ATOM 374 N LYS A 501 4.473 4.232 7.636 1.00 15.00 N ATOM 375 CA LYS A 501 5.504 3.791 6.694 1.00 15.00 C ATOM 376 C LYS A 501 5.394 2.279 6.481 1.00 15.00 C ATOM 377 O LYS A 501 6.392 1.577 6.310 1.00 15.00 O ATOM 378 CB LYS A 501 6.899 4.195 7.201 1.00 15.00 C ATOM 379 CG LYS A 501 7.994 4.151 6.146 1.00 15.00 C ATOM 380 CD LYS A 501 7.767 5.176 5.039 1.00 15.00 C ATOM 381 CE LYS A 501 8.100 6.606 5.467 1.00 15.00 C ATOM 382 NZ LYS A 501 7.160 7.152 6.487 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.717 4.759 7.198 1.00 15.00 H new ATOM 0 HA LYS A 501 5.353 4.280 5.732 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.845 5.205 7.608 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.178 3.535 8.023 1.00 15.00 H new ATOM 0 HG2 LYS A 501 8.959 4.336 6.618 1.00 15.00 H new ATOM 0 HG3 LYS A 501 8.038 3.152 5.711 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.377 4.910 4.176 1.00 15.00 H new ATOM 0 HD3 LYS A 501 6.726 5.132 4.719 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.114 6.631 5.867 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.088 7.252 4.589 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 7.100 8.185 6.386 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 6.217 6.735 6.349 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 7.506 6.917 7.439 1.00 15.00 H new ATOM 396 N THR A 502 4.159 1.797 6.442 1.00 15.00 N ATOM 397 CA THR A 502 3.878 0.382 6.264 1.00 15.00 C ATOM 398 C THR A 502 2.953 0.165 5.065 1.00 15.00 C ATOM 399 O THR A 502 2.166 1.039 4.717 1.00 15.00 O ATOM 400 CB THR A 502 3.215 -0.211 7.526 1.00 15.00 C ATOM 401 OG1 THR A 502 3.936 0.198 8.692 1.00 15.00 O ATOM 402 CG2 THR A 502 3.173 -1.734 7.473 1.00 15.00 C ATOM 0 H THR A 502 3.325 2.377 6.533 1.00 15.00 H new ATOM 0 HA THR A 502 4.828 -0.123 6.088 1.00 15.00 H new ATOM 0 HB THR A 502 2.191 0.161 7.568 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.515 0.996 9.074 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.700 -2.117 8.377 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.601 -2.052 6.602 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.188 -2.124 7.402 1.00 15.00 H new ATOM 410 N THR A 503 3.079 -0.975 4.407 1.00 15.00 N ATOM 411 CA THR A 503 2.140 -1.340 3.363 1.00 15.00 C ATOM 412 C THR A 503 1.520 -2.700 3.669 1.00 15.00 C ATOM 413 O THR A 503 2.195 -3.598 4.170 1.00 15.00 O ATOM 414 CB THR A 503 2.797 -1.340 1.962 1.00 15.00 C ATOM 415 OG1 THR A 503 1.873 -1.833 0.983 1.00 15.00 O ATOM 416 CG2 THR A 503 4.071 -2.171 1.924 1.00 15.00 C ATOM 0 H THR A 503 3.817 -1.658 4.576 1.00 15.00 H new ATOM 0 HA THR A 503 1.354 -0.585 3.346 1.00 15.00 H new ATOM 0 HB THR A 503 3.066 -0.309 1.733 1.00 15.00 H new ATOM 0 HG1 THR A 503 0.994 -1.424 1.127 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.495 -2.141 0.921 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.791 -1.766 2.635 1.00 15.00 H new ATOM 0 HG23 THR A 503 3.840 -3.203 2.189 1.00 15.00 H new ATOM 424 N THR A 504 0.230 -2.831 3.395 1.00 15.00 N ATOM 425 CA THR A 504 -0.500 -4.043 3.720 1.00 15.00 C ATOM 426 C THR A 504 -1.629 -4.289 2.726 1.00 15.00 C ATOM 427 O THR A 504 -2.165 -3.352 2.126 1.00 15.00 O ATOM 428 CB THR A 504 -1.069 -4.002 5.159 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.843 -5.182 5.422 1.00 15.00 O ATOM 430 CG2 THR A 504 -1.930 -2.764 5.376 1.00 15.00 C ATOM 0 H THR A 504 -0.333 -2.108 2.946 1.00 15.00 H new ATOM 0 HA THR A 504 0.212 -4.866 3.657 1.00 15.00 H new ATOM 0 HB THR A 504 -0.227 -3.961 5.850 1.00 15.00 H new ATOM 0 HG1 THR A 504 -2.196 -5.145 6.336 1.00 15.00 H new ATOM 0 HG21 THR A 504 -2.315 -2.763 6.396 1.00 15.00 H new ATOM 0 HG22 THR A 504 -1.328 -1.870 5.215 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.763 -2.772 4.673 1.00 15.00 H new ATOM 438 N TRP A 505 -1.949 -5.562 2.523 1.00 15.00 N ATOM 439 CA TRP A 505 -3.050 -5.953 1.658 1.00 15.00 C ATOM 440 C TRP A 505 -4.394 -5.663 2.327 1.00 15.00 C ATOM 441 O TRP A 505 -5.439 -5.671 1.674 1.00 15.00 O ATOM 442 CB TRP A 505 -2.977 -7.447 1.334 1.00 15.00 C ATOM 443 CG TRP A 505 -1.706 -7.876 0.666 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.635 -8.495 1.251 1.00 15.00 C ATOM 445 CD2 TRP A 505 -1.384 -7.743 -0.721 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.332 -8.751 0.308 1.00 15.00 N ATOM 447 CE2 TRP A 505 -0.106 -8.299 -0.909 1.00 15.00 C ATOM 448 CE3 TRP A 505 -2.054 -7.205 -1.825 1.00 15.00 C ATOM 449 CZ2 TRP A 505 0.512 -8.335 -2.154 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -1.439 -7.245 -3.061 1.00 15.00 C ATOM 451 CH2 TRP A 505 -0.171 -7.806 -3.215 1.00 15.00 C ATOM 0 H TRP A 505 -1.455 -6.345 2.951 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.967 -5.373 0.739 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -3.096 -8.013 2.258 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.817 -7.708 0.690 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.560 -8.745 2.299 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.229 -9.203 0.485 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -3.034 -6.766 -1.713 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 1.495 -8.765 -2.279 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -1.947 -6.836 -3.921 1.00 15.00 H new ATOM 0 HH2 TRP A 505 0.282 -7.823 -4.195 1.00 15.00 H new ATOM 462 N GLU A 506 -4.364 -5.430 3.636 1.00 15.00 N ATOM 463 CA GLU A 506 -5.586 -5.224 4.399 1.00 15.00 C ATOM 464 C GLU A 506 -5.985 -3.773 4.416 1.00 15.00 C ATOM 465 O GLU A 506 -5.193 -2.890 4.751 1.00 15.00 O ATOM 466 CB GLU A 506 -5.422 -5.759 5.822 1.00 15.00 C ATOM 467 CG GLU A 506 -5.197 -7.263 5.876 1.00 15.00 C ATOM 468 CD GLU A 506 -4.954 -7.769 7.282 1.00 15.00 C ATOM 469 OE1 GLU A 506 -5.928 -7.903 8.050 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -3.786 -8.040 7.628 1.00 15.00 O ATOM 0 H GLU A 506 -3.507 -5.380 4.188 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.386 -5.779 3.909 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -4.581 -5.255 6.298 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.311 -5.510 6.401 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -6.065 -7.771 5.457 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -4.343 -7.521 5.249 1.00 15.00 H new ATOM 477 N ASP A 507 -7.237 -3.543 4.072 1.00 15.00 N ATOM 478 CA ASP A 507 -7.741 -2.205 3.930 1.00 15.00 C ATOM 479 C ASP A 507 -7.925 -1.555 5.299 1.00 15.00 C ATOM 480 O ASP A 507 -8.310 -2.219 6.265 1.00 15.00 O ATOM 481 CB ASP A 507 -9.057 -2.202 3.146 1.00 15.00 C ATOM 482 CG ASP A 507 -10.176 -2.899 3.888 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.154 -4.146 3.976 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -11.072 -2.201 4.401 1.00 15.00 O ATOM 0 H ASP A 507 -7.922 -4.275 3.886 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.012 -1.621 3.369 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -9.350 -1.173 2.938 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -8.904 -2.691 2.184 1.00 15.00 H new ATOM 585 N LEU B 928 3.987 -10.303 1.315 1.00 15.00 N ATOM 586 CA LEU B 928 4.082 -8.875 1.575 1.00 15.00 C ATOM 587 C LEU B 928 5.553 -8.497 1.723 1.00 15.00 C ATOM 588 O LEU B 928 6.251 -9.024 2.593 1.00 15.00 O ATOM 589 CB LEU B 928 3.283 -8.531 2.848 1.00 15.00 C ATOM 590 CG LEU B 928 2.993 -7.039 3.108 1.00 15.00 C ATOM 591 CD1 LEU B 928 4.239 -6.294 3.564 1.00 15.00 C ATOM 592 CD2 LEU B 928 2.404 -6.381 1.869 1.00 15.00 C ATOM 0 HA LEU B 928 3.659 -8.306 0.747 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.330 -9.059 2.804 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.826 -8.926 3.707 1.00 15.00 H new ATOM 0 HG LEU B 928 2.262 -6.985 3.914 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.994 -5.246 3.737 1.00 15.00 H new ATOM 0 HD12 LEU B 928 4.610 -6.737 4.488 1.00 15.00 H new ATOM 0 HD13 LEU B 928 5.007 -6.364 2.794 1.00 15.00 H new ATOM 0 HD21 LEU B 928 2.207 -5.329 2.075 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.110 -6.463 1.043 1.00 15.00 H new ATOM 0 HD23 LEU B 928 1.472 -6.879 1.601 1.00 15.00 H new ATOM 604 N PRO B 929 6.053 -7.601 0.866 1.00 15.00 N ATOM 605 CA PRO B 929 7.443 -7.166 0.917 1.00 15.00 C ATOM 606 C PRO B 929 7.665 -6.033 1.920 1.00 15.00 C ATOM 607 O PRO B 929 6.895 -5.069 1.958 1.00 15.00 O ATOM 608 CB PRO B 929 7.694 -6.681 -0.509 1.00 15.00 C ATOM 609 CG PRO B 929 6.371 -6.162 -0.972 1.00 15.00 C ATOM 610 CD PRO B 929 5.311 -6.942 -0.230 1.00 15.00 C ATOM 0 HA PRO B 929 8.115 -7.959 1.244 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.456 -5.902 -0.534 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.046 -7.492 -1.147 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.281 -5.095 -0.766 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.261 -6.289 -2.049 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.529 -6.287 0.155 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.825 -7.671 -0.878 1.00 15.00 H new ATOM 618 N PRO B 930 8.716 -6.141 2.757 1.00 15.00 N ATOM 619 CA PRO B 930 9.130 -5.055 3.644 1.00 15.00 C ATOM 620 C PRO B 930 9.300 -3.772 2.844 1.00 15.00 C ATOM 621 O PRO B 930 10.039 -3.751 1.858 1.00 15.00 O ATOM 622 CB PRO B 930 10.473 -5.528 4.222 1.00 15.00 C ATOM 623 CG PRO B 930 10.856 -6.731 3.423 1.00 15.00 C ATOM 624 CD PRO B 930 9.577 -7.317 2.900 1.00 15.00 C ATOM 0 HA PRO B 930 8.403 -4.840 4.427 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.230 -4.748 4.142 1.00 15.00 H new ATOM 0 HB3 PRO B 930 10.379 -5.774 5.280 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.521 -6.458 2.604 1.00 15.00 H new ATOM 0 HG3 PRO B 930 11.390 -7.453 4.040 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.725 -7.828 1.949 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.154 -8.046 3.591 1.00 15.00 H new ATOM 632 N TYR B 931 8.607 -2.716 3.259 1.00 15.00 N ATOM 633 CA TYR B 931 8.419 -1.561 2.395 1.00 15.00 C ATOM 634 C TYR B 931 9.741 -0.911 1.997 1.00 15.00 C ATOM 635 O TYR B 931 10.514 -0.432 2.833 1.00 15.00 O ATOM 636 CB TYR B 931 7.513 -0.545 3.107 1.00 15.00 C ATOM 637 CG TYR B 931 7.246 0.739 2.338 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.830 0.723 1.012 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.395 1.972 2.959 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.574 1.899 0.331 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.143 3.149 2.286 1.00 15.00 C ATOM 642 CZ TYR B 931 6.733 3.110 0.974 1.00 15.00 C ATOM 643 OH TYR B 931 6.478 4.284 0.302 1.00 15.00 O ATOM 0 H TYR B 931 8.172 -2.638 4.178 1.00 15.00 H new ATOM 0 HA TYR B 931 7.949 -1.901 1.472 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.558 -1.024 3.324 1.00 15.00 H new ATOM 0 HB3 TYR B 931 7.966 -0.288 4.065 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.705 -0.223 0.506 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.715 2.010 3.990 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.251 1.870 -0.699 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.267 4.098 2.787 1.00 15.00 H new ATOM 0 HH TYR B 931 6.353 4.095 -0.651 1.00 15.00 H new ATOM 653 N GLU B 932 9.967 -0.909 0.696 1.00 15.00 N ATOM 654 CA GLU B 932 10.997 -0.118 0.056 1.00 15.00 C ATOM 655 C GLU B 932 10.283 0.969 -0.717 1.00 15.00 C ATOM 656 O GLU B 932 9.201 0.709 -1.249 1.00 15.00 O ATOM 657 CB GLU B 932 11.832 -0.992 -0.882 1.00 15.00 C ATOM 658 CG GLU B 932 12.994 -0.257 -1.525 1.00 15.00 C ATOM 659 CD GLU B 932 13.972 0.277 -0.502 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.700 1.346 0.086 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 15.012 -0.373 -0.276 1.00 15.00 O ATOM 0 H GLU B 932 9.425 -1.472 0.041 1.00 15.00 H new ATOM 0 HA GLU B 932 11.682 0.310 0.788 1.00 15.00 H new ATOM 0 HB2 GLU B 932 12.217 -1.845 -0.323 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.186 -1.389 -1.665 1.00 15.00 H new ATOM 0 HG2 GLU B 932 13.515 -0.930 -2.206 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.612 0.569 -2.125 1.00 15.00 H new ATOM 668 N THR B 933 10.840 2.165 -0.806 1.00 15.00 N ATOM 669 CA THR B 933 10.106 3.220 -1.472 1.00 15.00 C ATOM 670 C THR B 933 9.945 2.917 -2.957 1.00 15.00 C ATOM 671 O THR B 933 10.915 2.761 -3.703 1.00 15.00 O ATOM 672 CB THR B 933 10.747 4.605 -1.308 1.00 15.00 C ATOM 673 OG1 THR B 933 11.269 4.757 0.021 1.00 15.00 O ATOM 674 CG2 THR B 933 9.702 5.687 -1.576 1.00 15.00 C ATOM 0 H THR B 933 11.758 2.421 -0.442 1.00 15.00 H new ATOM 0 HA THR B 933 9.130 3.250 -0.987 1.00 15.00 H new ATOM 0 HB THR B 933 11.565 4.703 -2.021 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.677 5.643 0.113 1.00 15.00 H new ATOM 0 HG21 THR B 933 10.158 6.670 -1.459 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.322 5.582 -2.592 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.880 5.582 -0.868 1.00 15.00 H new ATOM 682 N PHE B 934 8.693 2.824 -3.339 1.00 15.00 N ATOM 683 CA PHE B 934 8.263 2.742 -4.719 1.00 15.00 C ATOM 684 C PHE B 934 7.993 4.174 -5.176 1.00 15.00 C ATOM 685 O PHE B 934 8.227 5.101 -4.398 1.00 15.00 O ATOM 686 CB PHE B 934 7.000 1.869 -4.826 1.00 15.00 C ATOM 687 CG PHE B 934 5.779 2.557 -4.300 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.780 3.123 -3.036 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.655 2.690 -5.090 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.692 3.816 -2.578 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.555 3.371 -4.627 1.00 15.00 C ATOM 692 CZ PHE B 934 3.578 3.939 -3.373 1.00 15.00 C ATOM 0 H PHE B 934 7.918 2.802 -2.676 1.00 15.00 H new ATOM 0 HA PHE B 934 9.021 2.280 -5.351 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.838 1.597 -5.869 1.00 15.00 H new ATOM 0 HB3 PHE B 934 7.156 0.942 -4.275 1.00 15.00 H new ATOM 0 HD1 PHE B 934 6.649 3.016 -2.404 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.640 2.256 -6.079 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.709 4.264 -1.596 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.674 3.461 -5.245 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.717 4.483 -3.013 1.00 15.00 H new ATOM 702 N GLU B 935 7.561 4.375 -6.417 1.00 15.00 N ATOM 703 CA GLU B 935 7.250 5.722 -6.891 1.00 15.00 C ATOM 704 C GLU B 935 6.354 6.448 -5.884 1.00 15.00 C ATOM 705 O GLU B 935 5.249 6.001 -5.569 1.00 15.00 O ATOM 706 CB GLU B 935 6.550 5.670 -8.257 1.00 15.00 C ATOM 707 CG GLU B 935 5.305 4.782 -8.302 1.00 15.00 C ATOM 708 CD GLU B 935 5.629 3.313 -8.502 1.00 15.00 C ATOM 709 OE1 GLU B 935 6.812 2.987 -8.740 1.00 15.00 O ATOM 710 OE2 GLU B 935 4.699 2.481 -8.445 1.00 15.00 O1- ATOM 0 H GLU B 935 7.419 3.635 -7.105 1.00 15.00 H new ATOM 0 HA GLU B 935 8.188 6.267 -6.996 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.268 6.683 -8.545 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.262 5.313 -9.002 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.747 4.902 -7.373 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.655 5.118 -9.110 1.00 15.00 H new ATOM 717 N ASP B 936 6.848 7.566 -5.373 1.00 15.00 N ATOM 718 CA ASP B 936 6.177 8.257 -4.284 1.00 15.00 C ATOM 719 C ASP B 936 5.109 9.195 -4.814 1.00 15.00 C ATOM 720 O ASP B 936 5.324 9.929 -5.784 1.00 15.00 O ATOM 721 CB ASP B 936 7.179 9.027 -3.424 1.00 15.00 C ATOM 722 CG ASP B 936 6.522 9.647 -2.205 1.00 15.00 C ATOM 723 OD1 ASP B 936 6.011 8.890 -1.350 1.00 15.00 O ATOM 724 OD2 ASP B 936 6.519 10.890 -2.094 1.00 15.00 O1- ATOM 0 H ASP B 936 7.707 8.012 -5.694 1.00 15.00 H new ATOM 0 HA ASP B 936 5.696 7.504 -3.660 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.975 8.354 -3.104 1.00 15.00 H new ATOM 0 HB3 ASP B 936 7.645 9.810 -4.023 1.00 15.00 H new ATOM 729 N LEU B 937 3.969 9.172 -4.149 1.00 15.00 N ATOM 730 CA LEU B 937 2.811 9.959 -4.541 1.00 15.00 C ATOM 731 C LEU B 937 3.068 11.444 -4.307 1.00 15.00 C ATOM 732 O LEU B 937 3.173 12.223 -5.252 1.00 15.00 O ATOM 733 CB LEU B 937 1.564 9.508 -3.761 1.00 15.00 C ATOM 734 CG LEU B 937 1.064 8.077 -4.036 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.797 7.870 -5.518 1.00 15.00 C ATOM 736 CD2 LEU B 937 2.043 7.034 -3.522 1.00 15.00 C ATOM 0 H LEU B 937 3.818 8.603 -3.316 1.00 15.00 H new ATOM 0 HA LEU B 937 2.634 9.800 -5.605 1.00 15.00 H new ATOM 0 HB2 LEU B 937 1.777 9.597 -2.696 1.00 15.00 H new ATOM 0 HB3 LEU B 937 0.753 10.202 -3.983 1.00 15.00 H new ATOM 0 HG LEU B 937 0.127 7.951 -3.494 1.00 15.00 H new ATOM 0 HD11 LEU B 937 0.445 6.852 -5.686 1.00 15.00 H new ATOM 0 HD12 LEU B 937 0.037 8.576 -5.853 1.00 15.00 H new ATOM 0 HD13 LEU B 937 1.717 8.033 -6.080 1.00 15.00 H new ATOM 0 HD21 LEU B 937 1.657 6.037 -3.734 1.00 15.00 H new ATOM 0 HD22 LEU B 937 3.005 7.163 -4.017 1.00 15.00 H new ATOM 0 HD23 LEU B 937 2.170 7.153 -2.446 1.00 15.00 H new