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 Set 1.1: A 496 TYR OH : rot 180:sc= 0.96 USER MOD Set 1.2: A 501 LYS NZ :NH3+ 162:sc= -0.381 (180deg=-2.89!) USER MOD Set 2.1: A 499 ASN : amide:sc= 1.82 K(o=3.5,f=-6.4!) USER MOD Set 2.2: A 500 THR OG1 : rot 81:sc= 0.894 USER MOD Set 2.3: A 502 THR OG1 : rot -170:sc= 0.778 USER MOD Single : A 485 MET CE :methyl -151:sc= -1.26 (180deg=-3.16!) USER MOD Single : A 490 ASN : amide:sc= -6.86! C(o=-6.9!,f=-16!) USER MOD Single : A 498 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-7.8!) USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 504 THR OG1 : rot -42:sc= 1.27 USER MOD Single : B 206 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.837 0.048 3.251 1.00 15.00 N ATOM 30 CA PHE A 478 -10.842 0.343 1.809 1.00 15.00 C ATOM 31 C PHE A 478 -10.422 -0.980 1.225 1.00 15.00 C ATOM 32 O PHE A 478 -10.896 -1.477 0.205 1.00 15.00 O ATOM 33 CB PHE A 478 -9.628 1.094 1.248 1.00 15.00 C ATOM 34 CG PHE A 478 -8.881 1.969 2.170 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.435 2.552 3.287 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.509 2.021 1.993 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.613 3.189 4.185 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.722 2.598 2.886 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.246 3.182 3.966 1.00 15.00 C ATOM 0 HA PHE A 478 -11.782 0.859 1.611 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.933 0.357 0.847 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -9.967 1.701 0.409 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.501 2.509 3.455 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.072 1.582 1.108 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.027 3.688 5.049 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.652 2.597 2.741 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.592 3.658 4.682 1.00 15.00 H new ATOM 49 N LEU A 479 -9.440 -1.488 1.972 1.00 15.00 N ATOM 50 CA LEU A 479 -8.223 -2.041 1.424 1.00 15.00 C ATOM 51 C LEU A 479 -7.927 -3.427 2.015 1.00 15.00 C ATOM 52 O LEU A 479 -8.239 -3.688 3.173 1.00 15.00 O ATOM 53 CB LEU A 479 -7.119 -0.963 1.717 1.00 15.00 C ATOM 54 CG LEU A 479 -5.779 -1.113 1.004 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.830 -0.357 -0.303 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.640 -0.564 1.838 1.00 15.00 C ATOM 0 H LEU A 479 -9.479 -1.522 2.991 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.283 -2.229 0.352 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.528 0.015 1.462 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.930 -0.959 2.790 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.602 -2.175 0.835 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.876 -0.459 -0.820 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.626 -0.763 -0.927 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.025 0.697 -0.106 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.701 -0.688 1.298 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.809 0.495 2.033 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.589 -1.103 2.784 1.00 15.00 H new ATOM 68 N PRO A 480 -7.315 -4.323 1.206 1.00 15.00 N ATOM 69 CA PRO A 480 -7.130 -5.750 1.555 1.00 15.00 C ATOM 70 C PRO A 480 -6.284 -5.963 2.824 1.00 15.00 C ATOM 71 O PRO A 480 -5.630 -5.038 3.310 1.00 15.00 O ATOM 72 CB PRO A 480 -6.375 -6.326 0.346 1.00 15.00 C ATOM 73 CG PRO A 480 -6.424 -5.305 -0.735 1.00 15.00 C ATOM 74 CD PRO A 480 -6.728 -3.985 -0.099 1.00 15.00 C ATOM 0 HA PRO A 480 -8.090 -6.223 1.763 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.343 -6.555 0.611 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.834 -7.258 0.015 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.473 -5.264 -1.266 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.188 -5.561 -1.469 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.826 -3.385 0.017 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.422 -3.404 -0.706 1.00 15.00 H new ATOM 82 N PRO A 481 -6.250 -7.205 3.348 1.00 15.00 N ATOM 83 CA PRO A 481 -5.436 -7.572 4.522 1.00 15.00 C ATOM 84 C PRO A 481 -3.946 -7.772 4.188 1.00 15.00 C ATOM 85 O PRO A 481 -3.277 -8.618 4.782 1.00 15.00 O ATOM 86 CB PRO A 481 -6.054 -8.906 4.983 1.00 15.00 C ATOM 87 CG PRO A 481 -7.275 -9.106 4.143 1.00 15.00 C ATOM 88 CD PRO A 481 -7.034 -8.348 2.877 1.00 15.00 C ATOM 0 HA PRO A 481 -5.451 -6.784 5.275 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.351 -9.728 4.851 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.310 -8.872 6.042 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.439 -10.164 3.939 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.165 -8.738 4.654 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.488 -8.942 2.144 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.966 -8.036 2.405 1.00 15.00 H new ATOM 96 N GLY A 482 -3.425 -6.957 3.277 1.00 15.00 N ATOM 97 CA GLY A 482 -2.016 -7.009 2.909 1.00 15.00 C ATOM 98 C GLY A 482 -1.372 -5.725 3.254 1.00 15.00 C ATOM 99 O GLY A 482 -0.191 -5.539 3.081 1.00 15.00 O ATOM 0 H GLY A 482 -3.962 -6.248 2.777 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.522 -7.828 3.431 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.914 -7.204 1.841 1.00 15.00 H new ATOM 103 N TRP A 483 -2.164 -4.824 3.739 1.00 15.00 N ATOM 104 CA TRP A 483 -1.947 -3.472 3.369 1.00 15.00 C ATOM 105 C TRP A 483 -1.809 -2.506 4.504 1.00 15.00 C ATOM 106 O TRP A 483 -2.398 -2.642 5.577 1.00 15.00 O ATOM 107 CB TRP A 483 -3.064 -3.095 2.423 1.00 15.00 C ATOM 108 CG TRP A 483 -3.055 -3.999 1.241 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.817 -5.088 1.009 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.167 -3.944 0.163 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.447 -5.691 -0.148 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.463 -5.013 -0.673 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.164 -3.106 -0.186 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.820 -5.275 -1.815 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.497 -3.362 -1.337 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.817 -4.441 -2.153 1.00 15.00 C ATOM 0 H TRP A 483 -2.944 -4.995 4.374 1.00 15.00 H new ATOM 0 HA TRP A 483 -0.971 -3.401 2.889 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.024 -3.162 2.935 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -2.946 -2.060 2.101 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.611 -5.432 1.655 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.867 -6.533 -0.542 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -0.903 -2.260 0.433 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -2.091 -6.115 -2.437 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.310 -2.706 -1.630 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.259 -4.612 -3.062 1.00 15.00 H new ATOM 127 N GLU A 484 -0.993 -1.528 4.208 1.00 15.00 N ATOM 128 CA GLU A 484 -0.763 -0.393 5.067 1.00 15.00 C ATOM 129 C GLU A 484 -0.896 0.851 4.214 1.00 15.00 C ATOM 130 O GLU A 484 -0.044 1.118 3.365 1.00 15.00 O ATOM 131 CB GLU A 484 0.635 -0.480 5.696 1.00 15.00 C ATOM 132 CG GLU A 484 0.930 0.517 6.793 1.00 15.00 C ATOM 133 CD GLU A 484 -0.212 0.705 7.774 1.00 15.00 C ATOM 134 OE1 GLU A 484 -1.070 1.582 7.540 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.244 -0.021 8.786 1.00 15.00 O ATOM 0 H GLU A 484 -0.456 -1.497 3.341 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.485 -0.369 5.883 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.769 -1.484 6.099 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.376 -0.352 4.907 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.815 0.191 7.339 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.171 1.479 6.341 1.00 15.00 H new ATOM 142 N MET A 485 -1.985 1.575 4.390 1.00 15.00 N ATOM 143 CA MET A 485 -2.231 2.756 3.591 1.00 15.00 C ATOM 144 C MET A 485 -1.620 3.944 4.282 1.00 15.00 C ATOM 145 O MET A 485 -2.155 4.434 5.278 1.00 15.00 O ATOM 146 CB MET A 485 -3.719 2.996 3.385 1.00 15.00 C ATOM 147 CG MET A 485 -4.037 4.168 2.453 1.00 15.00 C ATOM 148 SD MET A 485 -3.968 5.778 3.265 1.00 15.00 S ATOM 149 CE MET A 485 -4.585 6.840 1.962 1.00 15.00 C ATOM 0 H MET A 485 -2.710 1.366 5.077 1.00 15.00 H new ATOM 0 HA MET A 485 -1.781 2.609 2.609 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.170 2.090 2.980 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.185 3.178 4.353 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.334 4.160 1.620 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.032 4.026 2.031 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.151 7.834 2.067 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.309 6.424 0.993 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.671 6.909 2.032 1.00 15.00 H new ATOM 159 N ARG A 486 -0.470 4.364 3.813 1.00 15.00 N ATOM 160 CA ARG A 486 0.158 5.533 4.373 1.00 15.00 C ATOM 161 C ARG A 486 0.196 6.623 3.330 1.00 15.00 C ATOM 162 O ARG A 486 0.829 6.484 2.292 1.00 15.00 O ATOM 163 CB ARG A 486 1.575 5.242 4.891 1.00 15.00 C ATOM 164 CG ARG A 486 1.689 3.956 5.691 1.00 15.00 C ATOM 165 CD ARG A 486 0.708 3.915 6.847 1.00 15.00 C ATOM 166 NE ARG A 486 1.168 4.656 8.020 1.00 15.00 N ATOM 167 CZ ARG A 486 0.564 4.594 9.206 1.00 15.00 C ATOM 168 NH1 ARG A 486 -0.493 3.804 9.373 1.00 15.00 N ATOM 169 NH2 ARG A 486 1.044 5.288 10.229 1.00 15.00 N ATOM 0 H ARG A 486 0.045 3.919 3.053 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.433 5.855 5.231 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.258 5.192 4.043 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.901 6.075 5.514 1.00 15.00 H new ATOM 0 HG2 ARG A 486 1.511 3.104 5.035 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.705 3.857 6.074 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.247 4.324 6.519 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.531 2.877 7.128 1.00 15.00 H new ATOM 0 HE ARG A 486 1.992 5.250 7.926 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.841 3.246 8.593 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -0.956 3.756 10.281 1.00 15.00 H new ATOM 0 HH21 ARG A 486 1.874 5.868 10.107 1.00 15.00 H new ATOM 0 HH22 ARG A 486 0.583 5.242 11.138 1.00 15.00 H new ATOM 183 N ILE A 487 -0.518 7.683 3.606 1.00 15.00 N ATOM 184 CA ILE A 487 -0.453 8.880 2.805 1.00 15.00 C ATOM 185 C ILE A 487 0.631 9.742 3.381 1.00 15.00 C ATOM 186 O ILE A 487 0.549 10.229 4.510 1.00 15.00 O ATOM 187 CB ILE A 487 -1.807 9.592 2.740 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.641 11.018 2.181 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.498 9.546 4.091 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.901 11.854 2.257 1.00 15.00 C ATOM 0 H ILE A 487 -1.163 7.742 4.394 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.214 8.638 1.769 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.462 9.067 2.045 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.847 11.524 2.730 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.320 10.956 1.141 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.459 10.057 4.026 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.658 8.508 4.383 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.874 10.040 4.836 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.706 12.844 1.845 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.693 11.372 1.683 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.213 11.949 3.297 1.00 15.00 H new ATOM 202 N ALA A 488 1.659 9.913 2.584 1.00 15.00 N ATOM 203 CA ALA A 488 2.911 10.414 3.065 1.00 15.00 C ATOM 204 C ALA A 488 2.891 11.925 2.976 1.00 15.00 C ATOM 205 O ALA A 488 2.193 12.472 2.124 1.00 15.00 O ATOM 206 CB ALA A 488 4.055 9.880 2.230 1.00 15.00 C ATOM 0 H ALA A 488 1.644 9.707 1.585 1.00 15.00 H new ATOM 0 HA ALA A 488 3.055 10.092 4.096 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.998 10.272 2.611 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.067 8.791 2.283 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.925 10.191 1.194 1.00 15.00 H new ATOM 212 N PRO A 489 3.616 12.617 3.864 1.00 15.00 N ATOM 213 CA PRO A 489 3.626 14.090 3.926 1.00 15.00 C ATOM 214 C PRO A 489 4.058 14.783 2.624 1.00 15.00 C ATOM 215 O PRO A 489 4.198 16.006 2.596 1.00 15.00 O ATOM 216 CB PRO A 489 4.631 14.390 5.042 1.00 15.00 C ATOM 217 CG PRO A 489 4.651 13.155 5.870 1.00 15.00 C ATOM 218 CD PRO A 489 4.469 12.022 4.905 1.00 15.00 C ATOM 0 HA PRO A 489 2.620 14.471 4.100 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.618 14.612 4.637 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.325 15.256 5.629 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.592 13.061 6.412 1.00 15.00 H new ATOM 0 HG3 PRO A 489 3.855 13.168 6.614 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.421 11.678 4.501 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.993 11.162 5.376 1.00 15.00 H new ATOM 226 N ASN A 490 4.271 14.027 1.549 1.00 15.00 N ATOM 227 CA ASN A 490 4.571 14.622 0.257 1.00 15.00 C ATOM 228 C ASN A 490 3.354 14.515 -0.655 1.00 15.00 C ATOM 229 O ASN A 490 3.284 15.167 -1.695 1.00 15.00 O ATOM 230 CB ASN A 490 5.806 13.967 -0.377 1.00 15.00 C ATOM 231 CG ASN A 490 5.641 12.476 -0.576 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.818 11.843 0.082 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.434 11.891 -1.460 1.00 15.00 N ATOM 0 H ASN A 490 4.241 13.007 1.551 1.00 15.00 H new ATOM 0 HA ASN A 490 4.804 15.677 0.400 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.008 14.437 -1.339 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.674 14.151 0.256 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.373 10.884 -1.612 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.106 12.447 -1.989 1.00 15.00 H new ATOM 240 N GLY A 491 2.400 13.672 -0.258 1.00 15.00 N ATOM 241 CA GLY A 491 1.210 13.464 -1.054 1.00 15.00 C ATOM 242 C GLY A 491 1.198 12.081 -1.661 1.00 15.00 C ATOM 243 O GLY A 491 0.626 11.861 -2.729 1.00 15.00 O ATOM 0 H GLY A 491 2.436 13.130 0.605 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.325 13.600 -0.433 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.162 14.212 -1.845 1.00 15.00 H new ATOM 247 N ARG A 492 1.836 11.147 -0.972 1.00 15.00 N ATOM 248 CA ARG A 492 2.004 9.802 -1.484 1.00 15.00 C ATOM 249 C ARG A 492 1.358 8.767 -0.581 1.00 15.00 C ATOM 250 O ARG A 492 1.913 8.408 0.447 1.00 15.00 O ATOM 251 CB ARG A 492 3.491 9.486 -1.626 1.00 15.00 C ATOM 252 CG ARG A 492 4.191 10.339 -2.655 1.00 15.00 C ATOM 253 CD ARG A 492 4.868 9.542 -3.750 1.00 15.00 C ATOM 254 NE ARG A 492 5.572 10.414 -4.693 1.00 15.00 N ATOM 255 CZ ARG A 492 6.144 9.999 -5.825 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.134 8.714 -6.151 1.00 15.00 N ATOM 257 NH2 ARG A 492 6.728 10.874 -6.632 1.00 15.00 N ATOM 0 H ARG A 492 2.247 11.301 -0.051 1.00 15.00 H new ATOM 0 HA ARG A 492 1.513 9.757 -2.456 1.00 15.00 H new ATOM 0 HB2 ARG A 492 3.977 9.623 -0.660 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.607 8.436 -1.896 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.466 11.016 -3.106 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.936 10.958 -2.155 1.00 15.00 H new ATOM 0 HD2 ARG A 492 5.574 8.839 -3.307 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.124 8.952 -4.285 1.00 15.00 H new ATOM 0 HE ARG A 492 5.629 11.407 -4.469 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.687 8.035 -5.535 1.00 15.00 H new ATOM 0 HH12 ARG A 492 6.573 8.404 -7.018 1.00 15.00 H new ATOM 0 HH21 ARG A 492 6.740 11.864 -6.388 1.00 15.00 H new ATOM 0 HH22 ARG A 492 7.165 10.557 -7.497 1.00 15.00 H new ATOM 271 N PRO A 493 0.164 8.297 -0.933 1.00 15.00 N ATOM 272 CA PRO A 493 -0.455 7.152 -0.284 1.00 15.00 C ATOM 273 C PRO A 493 -0.051 5.889 -0.963 1.00 15.00 C ATOM 274 O PRO A 493 -0.514 5.552 -2.053 1.00 15.00 O ATOM 275 CB PRO A 493 -1.959 7.428 -0.433 1.00 15.00 C ATOM 276 CG PRO A 493 -2.025 8.795 -1.036 1.00 15.00 C ATOM 277 CD PRO A 493 -0.774 8.916 -1.854 1.00 15.00 C ATOM 0 HA PRO A 493 -0.161 7.028 0.758 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.438 6.687 -1.073 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.467 7.393 0.531 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.915 8.911 -1.655 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -2.070 9.565 -0.266 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.841 8.387 -2.805 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.519 9.951 -2.082 1.00 15.00 H new ATOM 285 N PHE A 494 0.893 5.229 -0.320 1.00 15.00 N ATOM 286 CA PHE A 494 1.487 4.068 -0.872 1.00 15.00 C ATOM 287 C PHE A 494 0.601 2.955 -0.360 1.00 15.00 C ATOM 288 O PHE A 494 0.441 2.817 0.858 1.00 15.00 O ATOM 289 CB PHE A 494 2.868 3.804 -0.276 1.00 15.00 C ATOM 290 CG PHE A 494 3.634 5.002 0.215 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.434 5.418 1.521 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.586 5.653 -0.540 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.142 6.430 2.058 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.300 6.709 -0.002 1.00 15.00 C ATOM 295 CZ PHE A 494 5.078 7.092 1.307 1.00 15.00 C ATOM 0 H PHE A 494 1.256 5.496 0.595 1.00 15.00 H new ATOM 0 HA PHE A 494 1.585 4.154 -1.954 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.752 3.110 0.557 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.473 3.299 -1.030 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.691 4.918 2.124 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.775 5.338 -1.555 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.972 6.721 3.084 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.029 7.232 -0.603 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.639 7.909 1.736 1.00 15.00 H new ATOM 305 N PHE A 495 0.009 2.187 -1.221 1.00 15.00 N ATOM 306 CA PHE A 495 -0.738 1.057 -0.751 1.00 15.00 C ATOM 307 C PHE A 495 0.257 -0.111 -0.690 1.00 15.00 C ATOM 308 O PHE A 495 0.608 -0.678 -1.723 1.00 15.00 O ATOM 309 CB PHE A 495 -1.892 0.717 -1.702 1.00 15.00 C ATOM 310 CG PHE A 495 -2.884 1.832 -1.908 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.736 2.219 -0.885 1.00 15.00 C ATOM 312 CD2 PHE A 495 -2.969 2.492 -3.127 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.646 3.243 -1.069 1.00 15.00 C ATOM 314 CE2 PHE A 495 -3.879 3.513 -3.315 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.717 3.891 -2.285 1.00 15.00 C ATOM 0 H PHE A 495 0.025 2.315 -2.233 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.184 1.265 0.222 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.477 0.434 -2.669 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.420 -0.154 -1.315 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.688 1.714 0.068 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -2.316 2.203 -3.937 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.301 3.536 -0.262 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -3.935 4.017 -4.269 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.426 4.692 -2.431 1.00 15.00 H new ATOM 325 N TYR A 496 0.792 -0.407 0.494 1.00 15.00 N ATOM 326 CA TYR A 496 1.917 -1.343 0.596 1.00 15.00 C ATOM 327 C TYR A 496 1.507 -2.707 1.178 1.00 15.00 C ATOM 328 O TYR A 496 0.932 -2.790 2.265 1.00 15.00 O ATOM 329 CB TYR A 496 3.074 -0.668 1.371 1.00 15.00 C ATOM 330 CG TYR A 496 4.047 -1.612 2.066 1.00 15.00 C ATOM 331 CD1 TYR A 496 5.163 -2.106 1.400 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.872 -1.982 3.397 1.00 15.00 C ATOM 333 CE1 TYR A 496 6.065 -2.933 2.030 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.773 -2.818 4.033 1.00 15.00 C ATOM 335 CZ TYR A 496 5.868 -3.289 3.341 1.00 15.00 C ATOM 336 OH TYR A 496 6.778 -4.113 3.962 1.00 15.00 O ATOM 0 H TYR A 496 0.474 -0.021 1.383 1.00 15.00 H new ATOM 0 HA TYR A 496 2.271 -1.576 -0.408 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.636 -0.044 0.676 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.645 -0.003 2.120 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.325 -1.835 0.367 1.00 15.00 H new ATOM 0 HD2 TYR A 496 3.018 -1.610 3.943 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.927 -3.301 1.493 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.619 -3.099 5.064 1.00 15.00 H new ATOM 0 HH TYR A 496 6.498 -4.271 4.888 1.00 15.00 H new ATOM 346 N ASP A 497 1.848 -3.770 0.426 1.00 15.00 N ATOM 347 CA ASP A 497 1.418 -5.161 0.698 1.00 15.00 C ATOM 348 C ASP A 497 2.455 -5.820 1.620 1.00 15.00 C ATOM 349 O ASP A 497 3.660 -5.601 1.445 1.00 15.00 O ATOM 350 CB ASP A 497 1.411 -5.952 -0.612 1.00 15.00 C ATOM 351 CG ASP A 497 0.634 -7.251 -0.516 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.058 -7.470 0.499 1.00 15.00 O ATOM 353 OD2 ASP A 497 0.682 -8.050 -1.479 1.00 15.00 O ATOM 0 H ASP A 497 2.439 -3.689 -0.401 1.00 15.00 H new ATOM 0 HA ASP A 497 0.427 -5.154 1.151 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.980 -5.335 -1.400 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.438 -6.170 -0.904 1.00 15.00 H new ATOM 358 N HIS A 498 2.020 -6.643 2.563 1.00 15.00 N ATOM 359 CA HIS A 498 2.928 -7.211 3.559 1.00 15.00 C ATOM 360 C HIS A 498 3.252 -8.661 3.231 1.00 15.00 C ATOM 361 O HIS A 498 2.569 -9.589 3.668 1.00 15.00 O ATOM 362 CB HIS A 498 2.356 -7.094 4.985 1.00 15.00 C ATOM 363 CG HIS A 498 2.080 -5.679 5.420 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.844 -4.665 4.527 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.957 -5.114 6.649 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.584 -3.561 5.164 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.643 -3.790 6.461 1.00 15.00 N ATOM 0 H HIS A 498 1.048 -6.934 2.663 1.00 15.00 H new ATOM 0 HA HIS A 498 3.851 -6.632 3.525 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.431 -7.668 5.043 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.057 -7.548 5.685 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.083 -5.613 7.598 1.00 15.00 H new ATOM 0 HE1 HIS A 498 1.357 -2.610 4.705 1.00 15.00 H new ATOM 0 HE2 HIS A 498 1.483 -3.103 7.198 1.00 15.00 H new ATOM 376 N ASN A 499 4.271 -8.830 2.403 1.00 15.00 N ATOM 377 CA ASN A 499 4.753 -10.144 1.992 1.00 15.00 C ATOM 378 C ASN A 499 6.139 -10.011 1.363 1.00 15.00 C ATOM 379 O ASN A 499 7.146 -10.313 2.000 1.00 15.00 O ATOM 380 CB ASN A 499 3.767 -10.835 1.027 1.00 15.00 C ATOM 381 CG ASN A 499 3.114 -9.889 0.028 1.00 15.00 C ATOM 382 OD1 ASN A 499 3.696 -8.886 -0.385 1.00 15.00 O ATOM 383 ND2 ASN A 499 1.895 -10.205 -0.370 1.00 15.00 N ATOM 0 H ASN A 499 4.792 -8.055 1.993 1.00 15.00 H new ATOM 0 HA ASN A 499 4.826 -10.777 2.877 1.00 15.00 H new ATOM 0 HB2 ASN A 499 4.296 -11.616 0.480 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.988 -11.326 1.610 1.00 15.00 H new ATOM 0 HD21 ASN A 499 1.407 -9.610 -1.040 1.00 15.00 H new ATOM 0 HD22 ASN A 499 1.442 -11.044 -0.008 1.00 15.00 H new ATOM 390 N THR A 500 6.191 -9.501 0.143 1.00 15.00 N ATOM 391 CA THR A 500 7.451 -9.272 -0.543 1.00 15.00 C ATOM 392 C THR A 500 7.922 -7.831 -0.361 1.00 15.00 C ATOM 393 O THR A 500 8.788 -7.355 -1.099 1.00 15.00 O ATOM 394 CB THR A 500 7.322 -9.597 -2.042 1.00 15.00 C ATOM 395 OG1 THR A 500 6.015 -9.238 -2.519 1.00 15.00 O ATOM 396 CG2 THR A 500 7.577 -11.076 -2.290 1.00 15.00 C ATOM 0 H THR A 500 5.367 -9.236 -0.396 1.00 15.00 H new ATOM 0 HA THR A 500 8.194 -9.936 -0.101 1.00 15.00 H new ATOM 0 HB THR A 500 8.068 -9.017 -2.585 1.00 15.00 H new ATOM 0 HG1 THR A 500 5.984 -8.274 -2.694 1.00 15.00 H new ATOM 0 HG21 THR A 500 7.482 -11.288 -3.355 1.00 15.00 H new ATOM 0 HG22 THR A 500 8.583 -11.333 -1.958 1.00 15.00 H new ATOM 0 HG23 THR A 500 6.849 -11.669 -1.736 1.00 15.00 H new ATOM 404 N LYS A 501 7.358 -7.157 0.648 1.00 15.00 N ATOM 405 CA LYS A 501 7.709 -5.771 0.969 1.00 15.00 C ATOM 406 C LYS A 501 7.389 -4.865 -0.217 1.00 15.00 C ATOM 407 O LYS A 501 8.211 -4.054 -0.636 1.00 15.00 O ATOM 408 CB LYS A 501 9.200 -5.657 1.327 1.00 15.00 C ATOM 409 CG LYS A 501 9.698 -6.720 2.303 1.00 15.00 C ATOM 410 CD LYS A 501 9.060 -6.593 3.682 1.00 15.00 C ATOM 411 CE LYS A 501 9.741 -5.536 4.550 1.00 15.00 C ATOM 412 NZ LYS A 501 9.551 -4.155 4.033 1.00 15.00 N ATOM 0 H LYS A 501 6.648 -7.556 1.262 1.00 15.00 H new ATOM 0 HA LYS A 501 7.121 -5.457 1.831 1.00 15.00 H new ATOM 0 HB2 LYS A 501 9.787 -5.719 0.411 1.00 15.00 H new ATOM 0 HB3 LYS A 501 9.384 -4.672 1.757 1.00 15.00 H new ATOM 0 HG2 LYS A 501 9.485 -7.709 1.898 1.00 15.00 H new ATOM 0 HG3 LYS A 501 10.781 -6.642 2.399 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.006 -6.340 3.569 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.104 -7.557 4.189 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.347 -5.597 5.564 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.807 -5.753 4.609 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 9.755 -3.470 4.789 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.196 -3.992 3.234 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.568 -4.036 3.714 1.00 15.00 H new ATOM 426 N THR A 502 6.176 -4.982 -0.730 1.00 15.00 N ATOM 427 CA THR A 502 5.817 -4.321 -1.972 1.00 15.00 C ATOM 428 C THR A 502 5.079 -3.001 -1.738 1.00 15.00 C ATOM 429 O THR A 502 3.925 -2.985 -1.308 1.00 15.00 O ATOM 430 CB THR A 502 4.953 -5.255 -2.844 1.00 15.00 C ATOM 431 OG1 THR A 502 5.677 -6.466 -3.105 1.00 15.00 O ATOM 432 CG2 THR A 502 4.581 -4.596 -4.163 1.00 15.00 C ATOM 0 H THR A 502 5.425 -5.527 -0.307 1.00 15.00 H new ATOM 0 HA THR A 502 6.747 -4.089 -2.490 1.00 15.00 H new ATOM 0 HB THR A 502 4.033 -5.474 -2.301 1.00 15.00 H new ATOM 0 HG1 THR A 502 5.202 -6.991 -3.783 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.972 -5.281 -4.753 1.00 15.00 H new ATOM 0 HG22 THR A 502 4.016 -3.685 -3.968 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.488 -4.349 -4.715 1.00 15.00 H new ATOM 440 N THR A 503 5.765 -1.897 -2.013 1.00 15.00 N ATOM 441 CA THR A 503 5.145 -0.580 -2.022 1.00 15.00 C ATOM 442 C THR A 503 4.622 -0.291 -3.425 1.00 15.00 C ATOM 443 O THR A 503 5.375 -0.346 -4.396 1.00 15.00 O ATOM 444 CB THR A 503 6.156 0.519 -1.620 1.00 15.00 C ATOM 445 OG1 THR A 503 7.487 0.104 -1.961 1.00 15.00 O ATOM 446 CG2 THR A 503 6.092 0.852 -0.137 1.00 15.00 C ATOM 0 H THR A 503 6.761 -1.891 -2.235 1.00 15.00 H new ATOM 0 HA THR A 503 4.330 -0.575 -1.298 1.00 15.00 H new ATOM 0 HB THR A 503 5.889 1.421 -2.171 1.00 15.00 H new ATOM 0 HG1 THR A 503 8.123 0.804 -1.706 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.821 1.629 0.093 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.092 1.207 0.113 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.317 -0.041 0.446 1.00 15.00 H new ATOM 454 N THR A 504 3.336 -0.016 -3.540 1.00 15.00 N ATOM 455 CA THR A 504 2.729 0.189 -4.841 1.00 15.00 C ATOM 456 C THR A 504 1.657 1.275 -4.746 1.00 15.00 C ATOM 457 O THR A 504 1.070 1.471 -3.692 1.00 15.00 O ATOM 458 CB THR A 504 2.135 -1.150 -5.365 1.00 15.00 C ATOM 459 OG1 THR A 504 2.314 -1.263 -6.787 1.00 15.00 O ATOM 460 CG2 THR A 504 0.655 -1.297 -5.024 1.00 15.00 C ATOM 0 H THR A 504 2.694 0.070 -2.752 1.00 15.00 H new ATOM 0 HA THR A 504 3.487 0.522 -5.551 1.00 15.00 H new ATOM 0 HB THR A 504 2.677 -1.952 -4.864 1.00 15.00 H new ATOM 0 HG1 THR A 504 2.121 -0.401 -7.211 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.285 -2.247 -5.410 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.527 -1.271 -3.942 1.00 15.00 H new ATOM 0 HG23 THR A 504 0.094 -0.479 -5.476 1.00 15.00 H new ATOM 468 N TRP A 505 1.433 2.011 -5.822 1.00 15.00 N ATOM 469 CA TRP A 505 0.401 3.044 -5.816 1.00 15.00 C ATOM 470 C TRP A 505 -0.829 2.513 -6.537 1.00 15.00 C ATOM 471 O TRP A 505 -1.893 3.137 -6.547 1.00 15.00 O ATOM 472 CB TRP A 505 0.883 4.322 -6.504 1.00 15.00 C ATOM 473 CG TRP A 505 2.341 4.610 -6.329 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.336 4.269 -7.199 1.00 15.00 C ATOM 475 CD2 TRP A 505 2.974 5.306 -5.243 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.545 4.710 -6.729 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.350 5.351 -5.541 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.530 5.904 -4.050 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.268 5.962 -4.708 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.450 6.502 -3.233 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.803 6.530 -3.565 1.00 15.00 C ATOM 0 H TRP A 505 1.942 1.918 -6.701 1.00 15.00 H new ATOM 0 HA TRP A 505 0.163 3.290 -4.781 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.665 4.250 -7.570 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.310 5.165 -6.118 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.191 3.730 -8.124 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.444 4.580 -7.192 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.483 5.891 -3.784 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.319 5.987 -4.957 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.121 6.961 -2.313 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.499 7.015 -2.897 1.00 15.00 H new ATOM 492 N GLU A 506 -0.648 1.361 -7.156 1.00 15.00 N ATOM 493 CA GLU A 506 -1.701 0.681 -7.879 1.00 15.00 C ATOM 494 C GLU A 506 -2.727 0.146 -6.897 1.00 15.00 C ATOM 495 O GLU A 506 -2.374 -0.307 -5.808 1.00 15.00 O ATOM 496 CB GLU A 506 -1.107 -0.470 -8.700 1.00 15.00 C ATOM 497 CG GLU A 506 -0.256 -0.031 -9.892 1.00 15.00 C ATOM 498 CD GLU A 506 0.955 0.811 -9.512 1.00 15.00 C ATOM 499 OE1 GLU A 506 1.550 0.575 -8.440 1.00 15.00 O ATOM 500 OE2 GLU A 506 1.325 1.709 -10.298 1.00 15.00 O ATOM 0 H GLU A 506 0.245 0.868 -7.170 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.188 1.383 -8.557 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.496 -1.089 -8.043 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.921 -1.097 -9.063 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.084 -0.917 -10.428 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -0.880 0.539 -10.581 1.00 15.00 H new ATOM 507 N ASP A 507 -3.989 0.189 -7.287 1.00 15.00 N ATOM 508 CA ASP A 507 -5.073 -0.213 -6.406 1.00 15.00 C ATOM 509 C ASP A 507 -4.989 -1.698 -6.058 1.00 15.00 C ATOM 510 O ASP A 507 -5.180 -2.553 -6.898 1.00 15.00 O ATOM 511 CB ASP A 507 -6.416 0.115 -7.046 1.00 15.00 C ATOM 512 CG ASP A 507 -7.585 -0.262 -6.164 1.00 15.00 C ATOM 513 OD1 ASP A 507 -8.058 -1.413 -6.246 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.047 0.596 -5.393 1.00 15.00 O ATOM 0 H ASP A 507 -4.290 0.499 -8.211 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.979 0.347 -5.475 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.460 1.182 -7.265 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.499 -0.410 -7.998 1.00 15.00 H new ATOM 519 N PRO A 508 -4.744 -1.997 -4.782 1.00 15.00 N ATOM 520 CA PRO A 508 -4.512 -3.351 -4.254 1.00 15.00 C ATOM 521 C PRO A 508 -5.780 -4.100 -4.066 1.00 15.00 C ATOM 522 O PRO A 508 -5.794 -5.284 -3.765 1.00 15.00 O ATOM 523 CB PRO A 508 -3.853 -3.120 -2.906 1.00 15.00 C ATOM 524 CG PRO A 508 -3.776 -1.647 -2.724 1.00 15.00 C ATOM 525 CD PRO A 508 -4.702 -1.016 -3.709 1.00 15.00 C ATOM 0 HA PRO A 508 -3.908 -3.945 -4.940 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.433 -3.580 -2.106 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.859 -3.567 -2.878 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.056 -1.373 -1.707 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.756 -1.296 -2.880 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.689 -0.841 -3.282 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.329 -0.052 -4.056 1.00 15.00 H new ATOM 533 N ARG A 509 -6.843 -3.384 -4.213 1.00 15.00 N ATOM 534 CA ARG A 509 -8.128 -3.887 -3.957 1.00 15.00 C ATOM 535 C ARG A 509 -8.476 -4.661 -5.184 1.00 15.00 C ATOM 536 O ARG A 509 -9.491 -5.342 -5.279 1.00 15.00 O ATOM 537 CB ARG A 509 -9.039 -2.734 -3.608 1.00 15.00 C ATOM 538 CG ARG A 509 -8.338 -1.810 -2.620 1.00 15.00 C ATOM 539 CD ARG A 509 -9.245 -0.688 -2.146 1.00 15.00 C ATOM 540 NE ARG A 509 -9.319 0.382 -3.135 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.062 1.477 -3.019 1.00 15.00 C ATOM 542 NH1 ARG A 509 -10.860 1.649 -1.976 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.001 2.401 -3.966 1.00 15.00 N ATOM 0 H ARG A 509 -6.830 -2.412 -4.522 1.00 15.00 H new ATOM 0 HA ARG A 509 -8.216 -4.555 -3.100 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.307 -2.183 -4.510 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.967 -3.108 -3.176 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.999 -2.389 -1.761 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.450 -1.385 -3.089 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.244 -1.080 -1.955 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.873 -0.290 -1.202 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.757 0.282 -3.980 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -10.910 0.936 -1.249 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -11.425 2.495 -1.900 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -9.389 2.267 -4.771 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -10.566 3.247 -3.890 1.00 15.00 H new ATOM 557 N LEU A 510 -7.596 -4.479 -6.166 1.00 15.00 N ATOM 558 CA LEU A 510 -7.662 -5.246 -7.360 1.00 15.00 C ATOM 559 C LEU A 510 -7.414 -6.729 -7.035 1.00 15.00 C ATOM 560 O LEU A 510 -7.842 -7.625 -7.760 1.00 15.00 O ATOM 561 CB LEU A 510 -6.671 -4.759 -8.453 1.00 15.00 C ATOM 562 CG LEU A 510 -5.174 -5.121 -8.268 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.878 -6.562 -8.671 1.00 15.00 C ATOM 564 CD2 LEU A 510 -4.289 -4.188 -9.078 1.00 15.00 C ATOM 0 H LEU A 510 -6.835 -3.800 -6.137 1.00 15.00 H new ATOM 0 HA LEU A 510 -8.663 -5.115 -7.772 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -7.000 -5.163 -9.411 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.750 -3.674 -8.521 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.955 -5.008 -7.206 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.818 -6.770 -8.525 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -5.469 -7.241 -8.056 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -5.135 -6.706 -9.720 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -3.244 -4.461 -8.933 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -4.543 -4.272 -10.135 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.445 -3.161 -8.748 1.00 15.00 H new ATOM 701 N PRO B 205 5.092 1.707 5.784 1.00 15.00 N ATOM 702 CA PRO B 205 5.523 2.084 4.436 1.00 15.00 C ATOM 703 C PRO B 205 5.592 3.598 4.215 1.00 15.00 C ATOM 704 O PRO B 205 4.566 4.268 4.149 1.00 15.00 O ATOM 705 CB PRO B 205 4.427 1.498 3.531 1.00 15.00 C ATOM 706 CG PRO B 205 3.325 1.037 4.427 1.00 15.00 C ATOM 707 CD PRO B 205 3.927 0.816 5.770 1.00 15.00 C ATOM 0 HA PRO B 205 6.531 1.718 4.240 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.065 2.248 2.828 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.817 0.669 2.940 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.531 1.782 4.477 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.877 0.118 4.048 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.226 1.062 6.568 1.00 15.00 H new ATOM 0 HD3 PRO B 205 4.218 -0.225 5.911 1.00 15.00 H new ATOM 715 N ASN B 206 6.812 4.137 4.176 1.00 15.00 N ATOM 716 CA ASN B 206 7.028 5.540 3.822 1.00 15.00 C ATOM 717 C ASN B 206 7.918 5.674 2.586 1.00 15.00 C ATOM 718 O ASN B 206 8.010 6.739 1.982 1.00 15.00 O ATOM 719 CB ASN B 206 7.614 6.312 5.007 1.00 15.00 C ATOM 720 CG ASN B 206 7.937 7.767 4.699 1.00 15.00 C ATOM 721 OD1 ASN B 206 8.957 8.290 5.153 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.058 8.441 3.968 1.00 15.00 N ATOM 0 H ASN B 206 7.667 3.621 4.386 1.00 15.00 H new ATOM 0 HA ASN B 206 6.059 5.975 3.576 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.908 6.275 5.836 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.523 5.811 5.340 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.215 9.428 3.764 1.00 15.00 H new ATOM 0 HD22 ASN B 206 6.226 7.972 3.610 1.00 15.00 H new ATOM 729 N LEU B 207 8.594 4.597 2.218 1.00 15.00 N ATOM 730 CA LEU B 207 9.478 4.632 1.060 1.00 15.00 C ATOM 731 C LEU B 207 8.670 4.685 -0.239 1.00 15.00 C ATOM 732 O LEU B 207 8.003 3.715 -0.608 1.00 15.00 O ATOM 733 CB LEU B 207 10.446 3.435 1.051 1.00 15.00 C ATOM 734 CG LEU B 207 9.816 2.037 0.963 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.847 1.025 0.486 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.257 1.604 2.311 1.00 15.00 C ATOM 0 H LEU B 207 8.550 3.697 2.697 1.00 15.00 H new ATOM 0 HA LEU B 207 10.077 5.540 1.131 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.127 3.555 0.208 1.00 15.00 H new ATOM 0 HB3 LEU B 207 11.050 3.479 1.957 1.00 15.00 H new ATOM 0 HG LEU B 207 8.996 2.082 0.247 1.00 15.00 H new ATOM 0 HD11 LEU B 207 10.388 0.038 0.428 1.00 15.00 H new ATOM 0 HD12 LEU B 207 11.212 1.314 -0.500 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.681 0.997 1.188 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.817 0.611 2.220 1.00 15.00 H new ATOM 0 HD22 LEU B 207 10.061 1.579 3.047 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.493 2.312 2.632 1.00 15.00 H new