USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 288 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 Single : A 485 MET CE :methyl -159:sc= -0.643 (180deg=-1.81!) USER MOD Single : A 490 ASN : amide:sc= -5.26! C(o=-5.3!,f=-14!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -4.33 K(o=-4.3,f=-6.3!) USER MOD Single : A 499 ASN : amide:sc= -0.589 K(o=-0.59,f=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 501 LYS NZ :NH3+ -175:sc= 0.656 (180deg=0.591) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 504 THR OG1 : rot 109:sc= 1.19 USER MOD Single : B 206 ASN : amide:sc= 0.289 K(o=0.29,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.937 0.070 3.114 1.00 15.00 N ATOM 30 CA PHE A 478 -10.985 0.319 1.671 1.00 15.00 C ATOM 31 C PHE A 478 -10.495 -0.999 1.132 1.00 15.00 C ATOM 32 O PHE A 478 -10.890 -1.509 0.087 1.00 15.00 O ATOM 33 CB PHE A 478 -9.829 1.145 1.097 1.00 15.00 C ATOM 34 CG PHE A 478 -9.172 2.076 2.033 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.796 2.660 3.116 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.790 2.150 1.929 1.00 15.00 C ATOM 37 CE1 PHE A 478 -9.033 3.283 4.075 1.00 15.00 C ATOM 38 CE2 PHE A 478 -7.063 2.794 2.838 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.661 3.342 3.911 1.00 15.00 C ATOM 0 HA PHE A 478 -11.957 0.761 1.451 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.076 0.459 0.710 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.204 1.718 0.249 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.871 2.628 3.209 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.295 1.676 1.094 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.499 3.721 4.945 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.993 2.877 2.715 1.00 15.00 H new ATOM 0 HZ PHE A 478 -7.059 3.837 4.658 1.00 15.00 H new ATOM 49 N LEU A 479 -9.556 -1.485 1.952 1.00 15.00 N ATOM 50 CA LEU A 479 -8.286 -1.985 1.496 1.00 15.00 C ATOM 51 C LEU A 479 -7.977 -3.371 2.091 1.00 15.00 C ATOM 52 O LEU A 479 -8.296 -3.632 3.249 1.00 15.00 O ATOM 53 CB LEU A 479 -7.238 -0.867 1.847 1.00 15.00 C ATOM 54 CG LEU A 479 -5.871 -0.994 1.186 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.905 -0.262 -0.130 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.758 -0.426 2.043 1.00 15.00 C ATOM 0 H LEU A 479 -9.674 -1.536 2.964 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.268 -2.169 0.422 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.663 0.099 1.573 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.096 -0.858 2.928 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.663 -2.055 1.045 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.933 -0.343 -0.617 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.670 -0.701 -0.771 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.137 0.789 0.044 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.805 -0.542 1.526 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.945 0.632 2.227 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.722 -0.959 2.993 1.00 15.00 H new ATOM 68 N PRO A 480 -7.324 -4.255 1.295 1.00 15.00 N ATOM 69 CA PRO A 480 -7.163 -5.695 1.615 1.00 15.00 C ATOM 70 C PRO A 480 -6.367 -5.963 2.913 1.00 15.00 C ATOM 71 O PRO A 480 -5.787 -5.050 3.502 1.00 15.00 O ATOM 72 CB PRO A 480 -6.374 -6.252 0.414 1.00 15.00 C ATOM 73 CG PRO A 480 -6.314 -5.185 -0.623 1.00 15.00 C ATOM 74 CD PRO A 480 -6.656 -3.884 0.034 1.00 15.00 C ATOM 0 HA PRO A 480 -8.136 -6.157 1.780 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.370 -6.545 0.719 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.860 -7.144 0.018 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.319 -5.139 -1.066 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.013 -5.399 -1.432 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.762 -3.290 0.222 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.311 -3.284 -0.597 1.00 15.00 H new ATOM 82 N PRO A 481 -6.296 -7.245 3.349 1.00 15.00 N ATOM 83 CA PRO A 481 -5.518 -7.663 4.537 1.00 15.00 C ATOM 84 C PRO A 481 -4.005 -7.799 4.269 1.00 15.00 C ATOM 85 O PRO A 481 -3.333 -8.655 4.849 1.00 15.00 O ATOM 86 CB PRO A 481 -6.115 -9.034 4.858 1.00 15.00 C ATOM 87 CG PRO A 481 -6.548 -9.573 3.542 1.00 15.00 C ATOM 88 CD PRO A 481 -7.002 -8.388 2.735 1.00 15.00 C ATOM 0 HA PRO A 481 -5.586 -6.928 5.339 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.380 -9.685 5.331 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.955 -8.949 5.547 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.729 -10.092 3.045 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -7.356 -10.295 3.663 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.742 -8.499 1.682 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -8.084 -8.262 2.785 1.00 15.00 H new ATOM 96 N GLY A 482 -3.475 -6.921 3.427 1.00 15.00 N ATOM 97 CA GLY A 482 -2.053 -6.906 3.119 1.00 15.00 C ATOM 98 C GLY A 482 -1.481 -5.592 3.502 1.00 15.00 C ATOM 99 O GLY A 482 -0.300 -5.363 3.387 1.00 15.00 O ATOM 0 H GLY A 482 -4.015 -6.205 2.942 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.545 -7.707 3.656 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.898 -7.087 2.055 1.00 15.00 H new ATOM 103 N TRP A 483 -2.332 -4.720 3.955 1.00 15.00 N ATOM 104 CA TRP A 483 -2.160 -3.354 3.585 1.00 15.00 C ATOM 105 C TRP A 483 -2.091 -2.375 4.717 1.00 15.00 C ATOM 106 O TRP A 483 -2.675 -2.548 5.786 1.00 15.00 O ATOM 107 CB TRP A 483 -3.267 -3.030 2.605 1.00 15.00 C ATOM 108 CG TRP A 483 -3.180 -3.952 1.442 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.867 -5.092 1.218 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.276 -3.856 0.382 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.421 -5.703 0.092 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.477 -4.963 -0.433 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.325 -2.955 0.031 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.791 -5.202 -1.551 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.620 -3.188 -1.095 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.844 -4.303 -1.889 1.00 15.00 C ATOM 0 H TRP A 483 -3.127 -4.923 4.562 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.173 -3.243 3.135 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.238 -3.129 3.090 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.181 -1.996 2.271 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.661 -5.466 1.847 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.763 -6.588 -0.282 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.138 -2.079 0.634 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.985 -6.074 -2.157 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.144 -2.483 -1.388 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.257 -4.452 -2.783 1.00 15.00 H new ATOM 127 N GLU A 484 -1.334 -1.345 4.427 1.00 15.00 N ATOM 128 CA GLU A 484 -1.175 -0.203 5.301 1.00 15.00 C ATOM 129 C GLU A 484 -1.295 1.043 4.450 1.00 15.00 C ATOM 130 O GLU A 484 -0.470 1.273 3.563 1.00 15.00 O ATOM 131 CB GLU A 484 0.191 -0.245 6.000 1.00 15.00 C ATOM 132 CG GLU A 484 0.364 0.746 7.129 1.00 15.00 C ATOM 133 CD GLU A 484 -0.812 0.771 8.085 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.813 1.450 7.797 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.733 0.100 9.136 1.00 15.00 O ATOM 0 H GLU A 484 -0.800 -1.273 3.561 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.940 -0.210 6.077 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.351 -1.250 6.391 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.968 -0.065 5.257 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.270 0.501 7.683 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.506 1.743 6.711 1.00 15.00 H new ATOM 142 N MET A 485 -2.335 1.819 4.680 1.00 15.00 N ATOM 143 CA MET A 485 -2.561 3.000 3.877 1.00 15.00 C ATOM 144 C MET A 485 -1.864 4.177 4.510 1.00 15.00 C ATOM 145 O MET A 485 -2.221 4.621 5.604 1.00 15.00 O ATOM 146 CB MET A 485 -4.047 3.301 3.718 1.00 15.00 C ATOM 147 CG MET A 485 -4.346 4.391 2.689 1.00 15.00 C ATOM 148 SD MET A 485 -4.104 6.070 3.309 1.00 15.00 S ATOM 149 CE MET A 485 -4.663 7.030 1.903 1.00 15.00 C ATOM 0 H MET A 485 -3.029 1.655 5.409 1.00 15.00 H new ATOM 0 HA MET A 485 -2.155 2.816 2.883 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.565 2.387 3.427 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.453 3.604 4.683 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.707 4.240 1.819 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.377 4.284 2.350 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.246 8.036 1.960 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.332 6.552 0.981 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.751 7.087 1.911 1.00 15.00 H new ATOM 159 N ARG A 486 -0.841 4.654 3.844 1.00 15.00 N ATOM 160 CA ARG A 486 -0.144 5.826 4.298 1.00 15.00 C ATOM 161 C ARG A 486 -0.097 6.865 3.207 1.00 15.00 C ATOM 162 O ARG A 486 0.515 6.659 2.169 1.00 15.00 O ATOM 163 CB ARG A 486 1.275 5.490 4.754 1.00 15.00 C ATOM 164 CG ARG A 486 1.346 4.829 6.118 1.00 15.00 C ATOM 165 CD ARG A 486 0.795 5.740 7.202 1.00 15.00 C ATOM 166 NE ARG A 486 1.000 5.186 8.536 1.00 15.00 N ATOM 167 CZ ARG A 486 0.147 4.365 9.140 1.00 15.00 C ATOM 168 NH1 ARG A 486 -0.981 4.010 8.537 1.00 15.00 N ATOM 169 NH2 ARG A 486 0.425 3.910 10.354 1.00 15.00 N ATOM 0 H ARG A 486 -0.474 4.246 2.984 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.691 6.225 5.152 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.735 4.831 4.018 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.865 6.406 4.775 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.782 3.896 6.102 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.380 4.572 6.347 1.00 15.00 H new ATOM 0 HD2 ARG A 486 1.277 6.715 7.136 1.00 15.00 H new ATOM 0 HD3 ARG A 486 -0.270 5.899 7.035 1.00 15.00 H new ATOM 0 HE ARG A 486 1.851 5.445 9.036 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -1.196 4.368 7.606 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -1.633 3.380 9.004 1.00 15.00 H new ATOM 0 HH21 ARG A 486 1.289 4.190 10.818 1.00 15.00 H new ATOM 0 HH22 ARG A 486 -0.225 3.280 10.824 1.00 15.00 H new ATOM 183 N ILE A 487 -0.779 7.962 3.440 1.00 15.00 N ATOM 184 CA ILE A 487 -0.622 9.147 2.630 1.00 15.00 C ATOM 185 C ILE A 487 0.474 9.968 3.252 1.00 15.00 C ATOM 186 O ILE A 487 0.376 10.431 4.390 1.00 15.00 O ATOM 187 CB ILE A 487 -1.933 9.923 2.480 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.669 11.312 1.864 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.674 9.977 3.803 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.887 12.209 1.835 1.00 15.00 C ATOM 0 H ILE A 487 -1.458 8.058 4.196 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.347 8.877 1.610 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.590 9.400 1.785 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.879 11.806 2.430 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.300 11.184 0.847 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.603 10.532 3.677 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.899 8.964 4.136 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.053 10.474 4.548 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.623 13.167 1.388 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.672 11.737 1.244 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.245 12.369 2.852 1.00 15.00 H new ATOM 202 N ALA A 488 1.536 10.103 2.497 1.00 15.00 N ATOM 203 CA ALA A 488 2.781 10.585 3.012 1.00 15.00 C ATOM 204 C ALA A 488 2.824 12.092 2.905 1.00 15.00 C ATOM 205 O ALA A 488 2.175 12.658 2.025 1.00 15.00 O ATOM 206 CB ALA A 488 3.936 9.993 2.241 1.00 15.00 C ATOM 0 H ALA A 488 1.555 9.878 1.502 1.00 15.00 H new ATOM 0 HA ALA A 488 2.866 10.287 4.057 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.875 10.370 2.646 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.913 8.907 2.329 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.855 10.274 1.191 1.00 15.00 H new ATOM 212 N PRO A 489 3.545 12.766 3.809 1.00 15.00 N ATOM 213 CA PRO A 489 3.638 14.233 3.836 1.00 15.00 C ATOM 214 C PRO A 489 4.175 14.859 2.539 1.00 15.00 C ATOM 215 O PRO A 489 4.371 16.074 2.479 1.00 15.00 O ATOM 216 CB PRO A 489 4.598 14.518 5.000 1.00 15.00 C ATOM 217 CG PRO A 489 5.308 13.232 5.250 1.00 15.00 C ATOM 218 CD PRO A 489 4.331 12.154 4.894 1.00 15.00 C ATOM 0 HA PRO A 489 2.647 14.673 3.949 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.300 15.312 4.745 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.055 14.846 5.886 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.210 13.159 4.643 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.617 13.152 6.292 1.00 15.00 H new ATOM 0 HD2 PRO A 489 4.835 11.245 4.565 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.704 11.881 5.743 1.00 15.00 H new ATOM 226 N ASN A 490 4.419 14.056 1.501 1.00 15.00 N ATOM 227 CA ASN A 490 4.810 14.601 0.215 1.00 15.00 C ATOM 228 C ASN A 490 3.643 14.505 -0.760 1.00 15.00 C ATOM 229 O ASN A 490 3.654 15.120 -1.825 1.00 15.00 O ATOM 230 CB ASN A 490 6.079 13.928 -0.325 1.00 15.00 C ATOM 231 CG ASN A 490 5.993 12.417 -0.357 1.00 15.00 C ATOM 232 OD1 ASN A 490 5.157 11.820 0.312 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.881 11.781 -1.105 1.00 15.00 N ATOM 0 H ASN A 490 4.352 13.039 1.532 1.00 15.00 H new ATOM 0 HA ASN A 490 5.060 15.654 0.341 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.275 14.294 -1.333 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.928 14.223 0.292 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.884 10.762 -1.137 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.562 12.310 -1.649 1.00 15.00 H new ATOM 240 N GLY A 491 2.641 13.707 -0.394 1.00 15.00 N ATOM 241 CA GLY A 491 1.482 13.537 -1.242 1.00 15.00 C ATOM 242 C GLY A 491 1.415 12.137 -1.795 1.00 15.00 C ATOM 243 O GLY A 491 0.858 11.906 -2.870 1.00 15.00 O ATOM 0 H GLY A 491 2.616 13.177 0.477 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.577 13.750 -0.673 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.519 14.254 -2.062 1.00 15.00 H new ATOM 247 N ARG A 492 1.979 11.199 -1.047 1.00 15.00 N ATOM 248 CA ARG A 492 2.112 9.833 -1.506 1.00 15.00 C ATOM 249 C ARG A 492 1.342 8.864 -0.626 1.00 15.00 C ATOM 250 O ARG A 492 1.802 8.516 0.449 1.00 15.00 O ATOM 251 CB ARG A 492 3.579 9.417 -1.499 1.00 15.00 C ATOM 252 CG ARG A 492 4.473 10.276 -2.357 1.00 15.00 C ATOM 253 CD ARG A 492 5.550 9.471 -3.054 1.00 15.00 C ATOM 254 NE ARG A 492 6.446 10.315 -3.844 1.00 15.00 N ATOM 255 CZ ARG A 492 7.329 9.848 -4.726 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.414 8.544 -4.962 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.116 10.683 -5.385 1.00 15.00 N ATOM 0 H ARG A 492 2.353 11.366 -0.113 1.00 15.00 H new ATOM 0 HA ARG A 492 1.705 9.796 -2.516 1.00 15.00 H new ATOM 0 HB2 ARG A 492 3.947 9.442 -0.473 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.653 8.384 -1.839 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.869 10.793 -3.103 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.939 11.042 -1.738 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.130 8.924 -2.311 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.084 8.730 -3.704 1.00 15.00 H new ATOM 0 HE ARG A 492 6.392 11.325 -3.711 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.802 7.895 -4.467 1.00 15.00 H new ATOM 0 HH12 ARG A 492 8.091 8.191 -5.638 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.048 11.687 -5.218 1.00 15.00 H new ATOM 0 HH22 ARG A 492 8.791 10.323 -6.060 1.00 15.00 H new ATOM 271 N PRO A 493 0.156 8.431 -1.044 1.00 15.00 N ATOM 272 CA PRO A 493 -0.547 7.331 -0.402 1.00 15.00 C ATOM 273 C PRO A 493 -0.148 6.033 -1.017 1.00 15.00 C ATOM 274 O PRO A 493 -0.589 5.656 -2.102 1.00 15.00 O ATOM 275 CB PRO A 493 -2.027 7.657 -0.647 1.00 15.00 C ATOM 276 CG PRO A 493 -2.002 9.004 -1.291 1.00 15.00 C ATOM 277 CD PRO A 493 -0.699 9.056 -2.035 1.00 15.00 C ATOM 0 HA PRO A 493 -0.324 7.229 0.660 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.497 6.915 -1.293 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.592 7.671 0.285 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.847 9.134 -1.967 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -2.063 9.798 -0.547 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.728 8.503 -2.974 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.391 10.074 -2.274 1.00 15.00 H new ATOM 285 N PHE A 494 0.775 5.393 -0.324 1.00 15.00 N ATOM 286 CA PHE A 494 1.379 4.210 -0.819 1.00 15.00 C ATOM 287 C PHE A 494 0.456 3.138 -0.272 1.00 15.00 C ATOM 288 O PHE A 494 0.262 3.073 0.946 1.00 15.00 O ATOM 289 CB PHE A 494 2.733 3.925 -0.159 1.00 15.00 C ATOM 290 CG PHE A 494 3.509 5.111 0.351 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.220 5.560 1.632 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.534 5.725 -0.340 1.00 15.00 C ATOM 293 CE1 PHE A 494 3.910 6.569 2.205 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.254 6.754 0.250 1.00 15.00 C ATOM 295 CZ PHE A 494 4.937 7.170 1.532 1.00 15.00 C ATOM 0 H PHE A 494 1.113 5.691 0.591 1.00 15.00 H new ATOM 0 HA PHE A 494 1.522 4.265 -1.898 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.566 3.245 0.676 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.357 3.397 -0.880 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.421 5.089 2.186 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.776 5.404 -1.342 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.650 6.903 3.199 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.060 7.229 -0.290 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.499 7.966 1.998 1.00 15.00 H new ATOM 305 N PHE A 495 -0.127 2.325 -1.092 1.00 15.00 N ATOM 306 CA PHE A 495 -0.898 1.233 -0.561 1.00 15.00 C ATOM 307 C PHE A 495 0.091 0.071 -0.406 1.00 15.00 C ATOM 308 O PHE A 495 0.485 -0.536 -1.394 1.00 15.00 O ATOM 309 CB PHE A 495 -2.036 0.853 -1.511 1.00 15.00 C ATOM 310 CG PHE A 495 -3.049 1.947 -1.707 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.880 2.326 -0.668 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.168 2.598 -2.926 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.808 3.332 -0.834 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.098 3.605 -3.100 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.918 3.973 -2.051 1.00 15.00 C ATOM 0 H PHE A 495 -0.091 2.387 -2.109 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.365 1.496 0.388 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.614 0.582 -2.479 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.540 -0.032 -1.124 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.801 1.827 0.286 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -2.527 2.315 -3.748 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.448 3.618 -0.012 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -4.184 4.103 -4.054 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.644 4.761 -2.183 1.00 15.00 H new ATOM 325 N TYR A 496 0.588 -0.176 0.805 1.00 15.00 N ATOM 326 CA TYR A 496 1.718 -1.101 0.963 1.00 15.00 C ATOM 327 C TYR A 496 1.305 -2.470 1.516 1.00 15.00 C ATOM 328 O TYR A 496 0.700 -2.578 2.584 1.00 15.00 O ATOM 329 CB TYR A 496 2.833 -0.440 1.794 1.00 15.00 C ATOM 330 CG TYR A 496 3.819 -1.398 2.457 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.803 -2.058 1.721 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.779 -1.623 3.827 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.703 -2.909 2.334 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.680 -2.469 4.444 1.00 15.00 C ATOM 335 CZ TYR A 496 5.639 -3.109 3.693 1.00 15.00 C ATOM 336 OH TYR A 496 6.540 -3.953 4.303 1.00 15.00 O ATOM 0 H TYR A 496 0.241 0.236 1.671 1.00 15.00 H new ATOM 0 HA TYR A 496 2.113 -1.309 -0.031 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.391 0.237 1.147 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.370 0.170 2.569 1.00 15.00 H new ATOM 0 HD1 TYR A 496 4.863 -1.901 0.654 1.00 15.00 H new ATOM 0 HD2 TYR A 496 3.028 -1.126 4.423 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.455 -3.416 1.747 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.632 -2.627 5.511 1.00 15.00 H new ATOM 0 HH TYR A 496 6.360 -3.984 5.266 1.00 15.00 H new ATOM 346 N ASP A 497 1.681 -3.506 0.758 1.00 15.00 N ATOM 347 CA ASP A 497 1.321 -4.906 1.023 1.00 15.00 C ATOM 348 C ASP A 497 2.384 -5.535 1.920 1.00 15.00 C ATOM 349 O ASP A 497 3.572 -5.346 1.683 1.00 15.00 O ATOM 350 CB ASP A 497 1.322 -5.684 -0.286 1.00 15.00 C ATOM 351 CG ASP A 497 0.960 -7.139 -0.106 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.223 -7.436 0.159 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.859 -7.988 -0.242 1.00 15.00 O ATOM 0 H ASP A 497 2.257 -3.393 -0.076 1.00 15.00 H new ATOM 0 HA ASP A 497 0.339 -4.937 1.495 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.617 -5.222 -0.977 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.309 -5.614 -0.743 1.00 15.00 H new ATOM 358 N HIS A 498 1.971 -6.299 2.911 1.00 15.00 N ATOM 359 CA HIS A 498 2.905 -6.891 3.859 1.00 15.00 C ATOM 360 C HIS A 498 3.128 -8.356 3.521 1.00 15.00 C ATOM 361 O HIS A 498 3.988 -9.016 4.102 1.00 15.00 O ATOM 362 CB HIS A 498 2.392 -6.744 5.302 1.00 15.00 C ATOM 363 CG HIS A 498 2.147 -5.321 5.718 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.616 -4.384 4.871 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.341 -4.680 6.897 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.487 -3.247 5.486 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.918 -3.385 6.724 1.00 15.00 N ATOM 0 H HIS A 498 0.992 -6.528 3.085 1.00 15.00 H new ATOM 0 HA HIS A 498 3.855 -6.361 3.785 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.465 -7.308 5.407 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.116 -7.192 5.982 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.750 -5.107 7.801 1.00 15.00 H new ATOM 0 HE1 HIS A 498 1.092 -2.339 5.054 1.00 15.00 H new ATOM 0 HE2 HIS A 498 1.935 -2.653 7.434 1.00 15.00 H new ATOM 376 N ASN A 499 2.356 -8.855 2.561 1.00 15.00 N ATOM 377 CA ASN A 499 2.504 -10.231 2.110 1.00 15.00 C ATOM 378 C ASN A 499 3.782 -10.352 1.296 1.00 15.00 C ATOM 379 O ASN A 499 4.618 -11.219 1.545 1.00 15.00 O ATOM 380 CB ASN A 499 1.307 -10.675 1.252 1.00 15.00 C ATOM 381 CG ASN A 499 -0.042 -10.540 1.946 1.00 15.00 C ATOM 382 OD1 ASN A 499 -1.067 -10.328 1.292 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.062 -10.660 3.267 1.00 15.00 N ATOM 0 H ASN A 499 1.625 -8.328 2.083 1.00 15.00 H new ATOM 0 HA ASN A 499 2.548 -10.877 2.987 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.292 -10.085 0.336 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.450 -11.715 0.959 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.944 -10.577 3.773 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.804 -10.835 3.776 1.00 15.00 H new ATOM 390 N THR A 500 3.923 -9.455 0.330 1.00 15.00 N ATOM 391 CA THR A 500 5.082 -9.435 -0.549 1.00 15.00 C ATOM 392 C THR A 500 5.994 -8.251 -0.216 1.00 15.00 C ATOM 393 O THR A 500 7.070 -8.100 -0.802 1.00 15.00 O ATOM 394 CB THR A 500 4.635 -9.338 -2.018 1.00 15.00 C ATOM 395 OG1 THR A 500 3.356 -9.972 -2.172 1.00 15.00 O ATOM 396 CG2 THR A 500 5.644 -10.005 -2.940 1.00 15.00 C ATOM 0 H THR A 500 3.239 -8.724 0.135 1.00 15.00 H new ATOM 0 HA THR A 500 5.636 -10.362 -0.399 1.00 15.00 H new ATOM 0 HB THR A 500 4.564 -8.284 -2.288 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.070 -9.909 -3.107 1.00 15.00 H new ATOM 0 HG21 THR A 500 5.304 -9.922 -3.972 1.00 15.00 H new ATOM 0 HG22 THR A 500 6.612 -9.514 -2.836 1.00 15.00 H new ATOM 0 HG23 THR A 500 5.741 -11.057 -2.673 1.00 15.00 H new ATOM 404 N LYS A 501 5.548 -7.426 0.740 1.00 15.00 N ATOM 405 CA LYS A 501 6.292 -6.240 1.195 1.00 15.00 C ATOM 406 C LYS A 501 6.382 -5.194 0.087 1.00 15.00 C ATOM 407 O LYS A 501 7.326 -4.405 0.045 1.00 15.00 O ATOM 408 CB LYS A 501 7.713 -6.603 1.641 1.00 15.00 C ATOM 409 CG LYS A 501 7.815 -7.868 2.482 1.00 15.00 C ATOM 410 CD LYS A 501 7.072 -7.740 3.800 1.00 15.00 C ATOM 411 CE LYS A 501 7.172 -9.021 4.615 1.00 15.00 C ATOM 412 NZ LYS A 501 6.567 -10.183 3.905 1.00 15.00 N ATOM 0 H LYS A 501 4.659 -7.561 1.222 1.00 15.00 H new ATOM 0 HA LYS A 501 5.744 -5.832 2.044 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.338 -6.721 0.755 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.123 -5.770 2.212 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.412 -8.710 1.919 1.00 15.00 H new ATOM 0 HG3 LYS A 501 8.864 -8.089 2.678 1.00 15.00 H new ATOM 0 HD2 LYS A 501 7.483 -6.909 4.373 1.00 15.00 H new ATOM 0 HD3 LYS A 501 6.024 -7.508 3.609 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.219 -9.233 4.830 1.00 15.00 H new ATOM 0 HE3 LYS A 501 6.672 -8.881 5.573 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 6.580 -11.016 4.528 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 5.585 -9.959 3.647 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 7.113 -10.387 3.044 1.00 15.00 H new ATOM 426 N THR A 502 5.375 -5.139 -0.768 1.00 15.00 N ATOM 427 CA THR A 502 5.437 -4.267 -1.927 1.00 15.00 C ATOM 428 C THR A 502 4.676 -2.962 -1.693 1.00 15.00 C ATOM 429 O THR A 502 3.524 -2.960 -1.266 1.00 15.00 O ATOM 430 CB THR A 502 4.914 -4.967 -3.205 1.00 15.00 C ATOM 431 OG1 THR A 502 5.005 -4.081 -4.328 1.00 15.00 O ATOM 432 CG2 THR A 502 3.475 -5.444 -3.042 1.00 15.00 C ATOM 0 H THR A 502 4.515 -5.681 -0.683 1.00 15.00 H new ATOM 0 HA THR A 502 6.490 -4.028 -2.078 1.00 15.00 H new ATOM 0 HB THR A 502 5.541 -5.842 -3.377 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.673 -4.535 -5.131 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.146 -5.929 -3.961 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.418 -6.153 -2.216 1.00 15.00 H new ATOM 0 HG23 THR A 502 2.830 -4.591 -2.832 1.00 15.00 H new ATOM 440 N THR A 503 5.349 -1.853 -1.956 1.00 15.00 N ATOM 441 CA THR A 503 4.748 -0.533 -1.857 1.00 15.00 C ATOM 442 C THR A 503 4.124 -0.148 -3.199 1.00 15.00 C ATOM 443 O THR A 503 4.831 0.226 -4.136 1.00 15.00 O ATOM 444 CB THR A 503 5.821 0.504 -1.464 1.00 15.00 C ATOM 445 OG1 THR A 503 7.118 0.005 -1.827 1.00 15.00 O ATOM 446 CG2 THR A 503 5.801 0.816 0.023 1.00 15.00 C ATOM 0 H THR A 503 6.327 -1.843 -2.244 1.00 15.00 H new ATOM 0 HA THR A 503 3.972 -0.550 -1.092 1.00 15.00 H new ATOM 0 HB THR A 503 5.600 1.428 -1.999 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.802 0.662 -1.580 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.573 1.550 0.251 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.826 1.218 0.297 1.00 15.00 H new ATOM 0 HG23 THR A 503 5.989 -0.096 0.589 1.00 15.00 H new ATOM 454 N THR A 504 2.808 -0.265 -3.303 1.00 15.00 N ATOM 455 CA THR A 504 2.133 -0.035 -4.570 1.00 15.00 C ATOM 456 C THR A 504 1.498 1.349 -4.599 1.00 15.00 C ATOM 457 O THR A 504 1.042 1.849 -3.576 1.00 15.00 O ATOM 458 CB THR A 504 1.030 -1.099 -4.824 1.00 15.00 C ATOM 459 OG1 THR A 504 -0.174 -0.760 -4.129 1.00 15.00 O ATOM 460 CG2 THR A 504 1.482 -2.474 -4.355 1.00 15.00 C ATOM 0 H THR A 504 2.191 -0.516 -2.531 1.00 15.00 H new ATOM 0 HA THR A 504 2.887 -0.110 -5.354 1.00 15.00 H new ATOM 0 HB THR A 504 0.844 -1.119 -5.898 1.00 15.00 H new ATOM 0 HG1 THR A 504 -0.856 -0.479 -4.774 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.692 -3.201 -4.544 1.00 15.00 H new ATOM 0 HG22 THR A 504 2.381 -2.766 -4.898 1.00 15.00 H new ATOM 0 HG23 THR A 504 1.697 -2.442 -3.287 1.00 15.00 H new ATOM 468 N TRP A 505 1.505 1.996 -5.753 1.00 15.00 N ATOM 469 CA TRP A 505 0.655 3.161 -5.939 1.00 15.00 C ATOM 470 C TRP A 505 -0.603 2.718 -6.674 1.00 15.00 C ATOM 471 O TRP A 505 -1.634 3.397 -6.661 1.00 15.00 O ATOM 472 CB TRP A 505 1.335 4.270 -6.740 1.00 15.00 C ATOM 473 CG TRP A 505 2.764 4.556 -6.386 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.850 4.226 -7.146 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.280 5.249 -5.226 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.998 4.675 -6.553 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.680 5.305 -5.384 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.717 5.836 -4.068 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.509 5.920 -4.459 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.555 6.436 -3.163 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.932 6.476 -3.363 1.00 15.00 C ATOM 0 H TRP A 505 2.076 1.742 -6.559 1.00 15.00 H new ATOM 0 HA TRP A 505 0.427 3.571 -4.955 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.289 4.008 -7.797 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.760 5.187 -6.614 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.808 3.688 -8.081 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.941 4.558 -6.925 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.650 5.812 -3.900 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.578 5.956 -4.605 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.137 6.888 -2.275 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.557 6.961 -2.628 1.00 15.00 H new ATOM 492 N GLU A 506 -0.473 1.583 -7.357 1.00 15.00 N ATOM 493 CA GLU A 506 -1.576 0.942 -8.050 1.00 15.00 C ATOM 494 C GLU A 506 -2.548 0.379 -7.030 1.00 15.00 C ATOM 495 O GLU A 506 -2.139 -0.009 -5.933 1.00 15.00 O ATOM 496 CB GLU A 506 -1.068 -0.194 -8.949 1.00 15.00 C ATOM 497 CG GLU A 506 0.091 0.188 -9.860 1.00 15.00 C ATOM 498 CD GLU A 506 1.442 0.117 -9.170 1.00 15.00 C ATOM 499 OE1 GLU A 506 2.042 -0.976 -9.145 1.00 15.00 O ATOM 500 OE2 GLU A 506 1.913 1.154 -8.657 1.00 15.00 O ATOM 0 H GLU A 506 0.411 1.082 -7.443 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.074 1.683 -8.675 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.758 -1.027 -8.319 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.894 -0.550 -9.564 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.097 -0.474 -10.726 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -0.067 1.200 -10.233 1.00 15.00 H new ATOM 507 N ASP A 507 -3.821 0.324 -7.394 1.00 15.00 N ATOM 508 CA ASP A 507 -4.854 -0.153 -6.487 1.00 15.00 C ATOM 509 C ASP A 507 -4.620 -1.606 -6.069 1.00 15.00 C ATOM 510 O ASP A 507 -4.709 -2.525 -6.862 1.00 15.00 O ATOM 511 CB ASP A 507 -6.239 0.015 -7.105 1.00 15.00 C ATOM 512 CG ASP A 507 -7.332 -0.602 -6.257 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.729 0.014 -5.248 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.800 -1.708 -6.599 1.00 15.00 O ATOM 0 H ASP A 507 -4.163 0.604 -8.313 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.801 0.458 -5.586 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.446 1.076 -7.242 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.250 -0.442 -8.094 1.00 15.00 H new ATOM 519 N PRO A 508 -4.353 -1.793 -4.779 1.00 15.00 N ATOM 520 CA PRO A 508 -4.037 -3.085 -4.138 1.00 15.00 C ATOM 521 C PRO A 508 -5.235 -3.942 -3.965 1.00 15.00 C ATOM 522 O PRO A 508 -5.153 -5.083 -3.565 1.00 15.00 O ATOM 523 CB PRO A 508 -3.489 -2.668 -2.800 1.00 15.00 C ATOM 524 CG PRO A 508 -4.262 -1.456 -2.493 1.00 15.00 C ATOM 525 CD PRO A 508 -4.370 -0.713 -3.783 1.00 15.00 C ATOM 0 HA PRO A 508 -3.350 -3.685 -4.735 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -3.633 -3.441 -2.045 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.419 -2.464 -2.847 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.248 -1.708 -2.102 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -3.762 -0.854 -1.734 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.287 -0.126 -3.837 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -3.540 -0.020 -3.922 1.00 15.00 H new ATOM 533 N ARG A 509 -6.358 -3.376 -4.222 1.00 15.00 N ATOM 534 CA ARG A 509 -7.575 -4.038 -4.001 1.00 15.00 C ATOM 535 C ARG A 509 -7.728 -4.931 -5.188 1.00 15.00 C ATOM 536 O ARG A 509 -8.622 -5.765 -5.289 1.00 15.00 O ATOM 537 CB ARG A 509 -8.656 -3.012 -3.776 1.00 15.00 C ATOM 538 CG ARG A 509 -8.179 -1.998 -2.745 1.00 15.00 C ATOM 539 CD ARG A 509 -9.283 -1.045 -2.336 1.00 15.00 C ATOM 540 NE ARG A 509 -9.710 -0.213 -3.453 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.915 0.343 -3.554 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.821 0.165 -2.596 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.217 1.074 -4.617 1.00 15.00 N ATOM 0 H ARG A 509 -6.451 -2.431 -4.595 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.628 -4.657 -3.105 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -8.897 -2.510 -4.713 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.569 -3.498 -3.430 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.808 -2.523 -1.865 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.343 -1.431 -3.154 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.133 -1.612 -1.957 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.934 -0.411 -1.521 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.043 -0.046 -4.206 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.594 -0.400 -1.778 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.743 0.594 -2.680 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.527 1.210 -5.356 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.140 1.501 -4.697 1.00 15.00 H new ATOM 557 N LEU A 510 -6.820 -4.690 -6.123 1.00 15.00 N ATOM 558 CA LEU A 510 -6.726 -5.512 -7.284 1.00 15.00 C ATOM 559 C LEU A 510 -6.363 -6.959 -6.884 1.00 15.00 C ATOM 560 O LEU A 510 -6.741 -7.913 -7.562 1.00 15.00 O ATOM 561 CB LEU A 510 -5.729 -4.963 -8.337 1.00 15.00 C ATOM 562 CG LEU A 510 -4.224 -5.244 -8.106 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.832 -6.644 -8.571 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.370 -4.215 -8.832 1.00 15.00 C ATOM 0 H LEU A 510 -6.144 -3.927 -6.085 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.707 -5.505 -7.760 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.004 -5.375 -9.308 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -5.865 -3.883 -8.399 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.047 -5.175 -7.033 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.769 -6.802 -8.392 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.408 -7.386 -8.017 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.039 -6.745 -9.636 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.316 -4.429 -8.658 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.577 -4.259 -9.901 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.604 -3.218 -8.458 1.00 15.00 H new ATOM 701 N PRO B 205 4.567 1.972 6.072 1.00 15.00 N ATOM 702 CA PRO B 205 4.943 2.383 4.718 1.00 15.00 C ATOM 703 C PRO B 205 5.105 3.896 4.544 1.00 15.00 C ATOM 704 O PRO B 205 4.123 4.621 4.458 1.00 15.00 O ATOM 705 CB PRO B 205 3.760 1.921 3.853 1.00 15.00 C ATOM 706 CG PRO B 205 2.700 1.428 4.781 1.00 15.00 C ATOM 707 CD PRO B 205 3.348 1.160 6.095 1.00 15.00 C ATOM 0 HA PRO B 205 5.911 1.956 4.457 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.385 2.743 3.243 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.069 1.131 3.168 1.00 15.00 H new ATOM 0 HG2 PRO B 205 1.908 2.169 4.888 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.238 0.522 4.389 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.698 1.442 6.923 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.578 0.101 6.216 1.00 15.00 H new ATOM 715 N ASN B 206 6.348 4.374 4.589 1.00 15.00 N ATOM 716 CA ASN B 206 6.670 5.731 4.135 1.00 15.00 C ATOM 717 C ASN B 206 7.690 5.668 3.001 1.00 15.00 C ATOM 718 O ASN B 206 7.932 6.648 2.307 1.00 15.00 O ATOM 719 CB ASN B 206 7.173 6.607 5.292 1.00 15.00 C ATOM 720 CG ASN B 206 7.110 8.120 5.044 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.017 8.899 5.994 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.147 8.558 3.795 1.00 15.00 N ATOM 0 H ASN B 206 7.149 3.845 4.934 1.00 15.00 H new ATOM 0 HA ASN B 206 5.759 6.196 3.759 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.587 6.377 6.182 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.205 6.334 5.511 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.098 9.559 3.604 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.224 7.895 3.024 1.00 15.00 H new ATOM 729 N LEU B 207 8.315 4.515 2.833 1.00 15.00 N ATOM 730 CA LEU B 207 9.299 4.345 1.776 1.00 15.00 C ATOM 731 C LEU B 207 8.633 4.432 0.403 1.00 15.00 C ATOM 732 O LEU B 207 7.979 3.491 -0.047 1.00 15.00 O ATOM 733 CB LEU B 207 10.073 3.021 1.926 1.00 15.00 C ATOM 734 CG LEU B 207 9.235 1.732 1.932 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.110 0.534 1.603 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.563 1.523 3.284 1.00 15.00 C ATOM 0 H LEU B 207 8.161 3.688 3.410 1.00 15.00 H new ATOM 0 HA LEU B 207 10.021 5.156 1.864 1.00 15.00 H new ATOM 0 HB2 LEU B 207 10.795 2.954 1.112 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.642 3.062 2.855 1.00 15.00 H new ATOM 0 HG LEU B 207 8.460 1.831 1.172 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.504 -0.372 1.611 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.552 0.667 0.616 1.00 15.00 H new ATOM 0 HD13 LEU B 207 10.902 0.447 2.347 1.00 15.00 H new ATOM 0 HD21 LEU B 207 7.977 0.604 3.261 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.324 1.448 4.061 1.00 15.00 H new ATOM 0 HD23 LEU B 207 7.907 2.367 3.499 1.00 15.00 H new