USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=6 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 -151:sc= -2.22! (180deg=-3.32!) USER MOD Single : A 490 ASN : amide:sc= -6.31! C(o=-6.3!,f=-15!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HD1:sc= -4.18 K(o=-4.2,f=-6.8!) USER MOD Single : A 499 ASN : amide:sc= 0.772 K(o=0.77,f=-0.012) USER MOD Single : A 500 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 43:sc= 0.0555 USER MOD Single : A 504 THR OG1 : rot -55:sc= 1.13 USER MOD Single : B 206 ASN : amide:sc= -0.807 K(o=-0.81,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.400 -0.028 2.837 1.00 15.00 N ATOM 30 CA PHE A 478 -10.622 0.218 1.400 1.00 15.00 C ATOM 31 C PHE A 478 -10.146 -1.081 0.796 1.00 15.00 C ATOM 32 O PHE A 478 -10.564 -1.555 -0.256 1.00 15.00 O ATOM 33 CB PHE A 478 -9.561 1.088 0.731 1.00 15.00 C ATOM 34 CG PHE A 478 -8.869 2.014 1.638 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.485 2.689 2.670 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.491 2.020 1.549 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.707 3.374 3.576 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.746 2.646 2.448 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.327 3.319 3.450 1.00 15.00 C ATOM 0 HA PHE A 478 -11.630 0.615 1.282 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.821 0.440 0.261 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.032 1.664 -0.066 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.561 2.681 2.766 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.011 1.504 0.730 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.164 3.944 4.371 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.669 2.614 2.373 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.709 3.829 4.174 1.00 15.00 H new ATOM 49 N LEU A 479 -9.159 -1.564 1.550 1.00 15.00 N ATOM 50 CA LEU A 479 -7.910 -2.043 1.026 1.00 15.00 C ATOM 51 C LEU A 479 -7.589 -3.425 1.614 1.00 15.00 C ATOM 52 O LEU A 479 -7.865 -3.676 2.784 1.00 15.00 O ATOM 53 CB LEU A 479 -6.868 -0.905 1.349 1.00 15.00 C ATOM 54 CG LEU A 479 -5.488 -1.006 0.709 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.514 -0.298 -0.625 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.421 -0.371 1.580 1.00 15.00 C ATOM 0 H LEU A 479 -9.222 -1.628 2.566 1.00 15.00 H new ATOM 0 HA LEU A 479 -7.911 -2.219 -0.050 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.307 0.047 1.050 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.735 -0.869 2.430 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.246 -2.062 0.586 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.531 -0.364 -1.091 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.255 -0.768 -1.272 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.775 0.750 -0.476 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.451 -0.462 1.092 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.654 0.683 1.730 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.390 -0.877 2.545 1.00 15.00 H new ATOM 68 N PRO A 480 -6.978 -4.317 0.815 1.00 15.00 N ATOM 69 CA PRO A 480 -6.859 -5.760 1.139 1.00 15.00 C ATOM 70 C PRO A 480 -6.098 -6.027 2.455 1.00 15.00 C ATOM 71 O PRO A 480 -5.532 -5.113 3.054 1.00 15.00 O ATOM 72 CB PRO A 480 -6.053 -6.325 -0.043 1.00 15.00 C ATOM 73 CG PRO A 480 -6.040 -5.282 -1.104 1.00 15.00 C ATOM 74 CD PRO A 480 -6.305 -3.966 -0.445 1.00 15.00 C ATOM 0 HA PRO A 480 -7.840 -6.213 1.280 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.037 -6.572 0.267 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.506 -7.245 -0.413 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.078 -5.268 -1.615 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.798 -5.493 -1.858 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.380 -3.420 -0.262 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -6.934 -3.329 -1.067 1.00 15.00 H new ATOM 82 N PRO A 481 -6.045 -7.301 2.901 1.00 15.00 N ATOM 83 CA PRO A 481 -5.305 -7.702 4.116 1.00 15.00 C ATOM 84 C PRO A 481 -3.785 -7.815 3.901 1.00 15.00 C ATOM 85 O PRO A 481 -3.124 -8.661 4.502 1.00 15.00 O ATOM 86 CB PRO A 481 -5.896 -9.078 4.422 1.00 15.00 C ATOM 87 CG PRO A 481 -6.281 -9.626 3.095 1.00 15.00 C ATOM 88 CD PRO A 481 -6.738 -8.449 2.281 1.00 15.00 C ATOM 0 HA PRO A 481 -5.410 -6.966 4.914 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.169 -9.720 4.920 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.759 -9.000 5.084 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.437 -10.126 2.619 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -7.076 -10.365 3.193 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.468 -8.560 1.231 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.821 -8.331 2.321 1.00 15.00 H new ATOM 96 N GLY A 482 -3.238 -6.934 3.075 1.00 15.00 N ATOM 97 CA GLY A 482 -1.806 -6.903 2.823 1.00 15.00 C ATOM 98 C GLY A 482 -1.264 -5.582 3.221 1.00 15.00 C ATOM 99 O GLY A 482 -0.075 -5.350 3.189 1.00 15.00 O ATOM 0 H GLY A 482 -3.769 -6.228 2.566 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.310 -7.696 3.383 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.607 -7.087 1.767 1.00 15.00 H new ATOM 103 N TRP A 483 -2.155 -4.711 3.607 1.00 15.00 N ATOM 104 CA TRP A 483 -1.980 -3.344 3.240 1.00 15.00 C ATOM 105 C TRP A 483 -1.970 -2.364 4.369 1.00 15.00 C ATOM 106 O TRP A 483 -2.693 -2.473 5.353 1.00 15.00 O ATOM 107 CB TRP A 483 -3.050 -3.024 2.223 1.00 15.00 C ATOM 108 CG TRP A 483 -2.917 -3.941 1.068 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.606 -5.068 0.812 1.00 15.00 C ATOM 110 CD2 TRP A 483 -1.964 -3.853 0.053 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.116 -5.677 -0.302 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.138 -4.951 -0.775 1.00 15.00 C ATOM 113 CE3 TRP A 483 -0.989 -2.962 -0.246 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.399 -5.195 -1.860 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.226 -3.198 -1.341 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.423 -4.308 -2.151 1.00 15.00 C ATOM 0 H TRP A 483 -2.986 -4.920 4.160 1.00 15.00 H new ATOM 0 HA TRP A 483 -0.977 -3.233 2.827 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.038 -3.128 2.672 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -2.957 -1.989 1.893 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.430 -5.436 1.405 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.455 -6.553 -0.701 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -0.824 -2.090 0.369 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.574 -6.063 -2.478 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.560 -2.501 -1.591 1.00 15.00 H new ATOM 0 HH2 TRP A 483 0.205 -4.463 -3.016 1.00 15.00 H new ATOM 127 N GLU A 484 -1.130 -1.384 4.158 1.00 15.00 N ATOM 128 CA GLU A 484 -1.016 -0.245 5.040 1.00 15.00 C ATOM 129 C GLU A 484 -1.111 1.005 4.193 1.00 15.00 C ATOM 130 O GLU A 484 -0.231 1.272 3.376 1.00 15.00 O ATOM 131 CB GLU A 484 0.315 -0.286 5.799 1.00 15.00 C ATOM 132 CG GLU A 484 0.477 0.763 6.875 1.00 15.00 C ATOM 133 CD GLU A 484 -0.757 0.937 7.740 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.938 0.139 8.681 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.551 1.864 7.487 1.00 15.00 O ATOM 0 H GLU A 484 -0.496 -1.351 3.359 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.815 -0.257 5.782 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.424 -1.270 6.255 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.128 -0.175 5.081 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.321 0.494 7.510 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.721 1.717 6.408 1.00 15.00 H new ATOM 142 N MET A 485 -2.193 1.744 4.350 1.00 15.00 N ATOM 143 CA MET A 485 -2.391 2.935 3.557 1.00 15.00 C ATOM 144 C MET A 485 -1.786 4.109 4.274 1.00 15.00 C ATOM 145 O MET A 485 -2.320 4.582 5.276 1.00 15.00 O ATOM 146 CB MET A 485 -3.865 3.200 3.301 1.00 15.00 C ATOM 147 CG MET A 485 -4.130 4.366 2.348 1.00 15.00 C ATOM 148 SD MET A 485 -4.025 5.988 3.132 1.00 15.00 S ATOM 149 CE MET A 485 -4.551 7.043 1.784 1.00 15.00 C ATOM 0 H MET A 485 -2.940 1.541 5.014 1.00 15.00 H new ATOM 0 HA MET A 485 -1.907 2.787 2.592 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.320 2.298 2.891 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.358 3.402 4.252 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.413 4.322 1.528 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.122 4.248 1.911 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.082 8.022 1.884 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.257 6.595 0.835 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.635 7.155 1.812 1.00 15.00 H new ATOM 159 N ARG A 486 -0.646 4.542 3.802 1.00 15.00 N ATOM 160 CA ARG A 486 -0.030 5.710 4.364 1.00 15.00 C ATOM 161 C ARG A 486 0.054 6.779 3.305 1.00 15.00 C ATOM 162 O ARG A 486 0.740 6.626 2.304 1.00 15.00 O ATOM 163 CB ARG A 486 1.359 5.402 4.934 1.00 15.00 C ATOM 164 CG ARG A 486 1.414 4.123 5.747 1.00 15.00 C ATOM 165 CD ARG A 486 0.470 4.165 6.935 1.00 15.00 C ATOM 166 NE ARG A 486 1.062 4.800 8.106 1.00 15.00 N ATOM 167 CZ ARG A 486 0.483 4.811 9.304 1.00 15.00 C ATOM 168 NH1 ARG A 486 -0.712 4.250 9.469 1.00 15.00 N ATOM 169 NH2 ARG A 486 1.105 5.362 10.336 1.00 15.00 N ATOM 0 H ARG A 486 -0.131 4.107 3.037 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.642 6.061 5.194 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.072 5.331 4.112 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.678 6.235 5.561 1.00 15.00 H new ATOM 0 HG2 ARG A 486 1.158 3.277 5.110 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.433 3.960 6.099 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.435 4.703 6.655 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.170 3.149 7.191 1.00 15.00 H new ATOM 0 HE ARG A 486 1.967 5.260 8.002 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -1.183 3.812 8.678 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -1.157 4.258 10.387 1.00 15.00 H new ATOM 0 HH21 ARG A 486 2.028 5.778 10.212 1.00 15.00 H new ATOM 0 HH22 ARG A 486 0.661 5.370 11.254 1.00 15.00 H new ATOM 183 N ILE A 487 -0.692 7.833 3.519 1.00 15.00 N ATOM 184 CA ILE A 487 -0.586 9.020 2.711 1.00 15.00 C ATOM 185 C ILE A 487 0.446 9.899 3.356 1.00 15.00 C ATOM 186 O ILE A 487 0.289 10.376 4.481 1.00 15.00 O ATOM 187 CB ILE A 487 -1.937 9.716 2.541 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.741 11.126 1.956 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.713 9.701 3.846 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.990 11.978 1.983 1.00 15.00 C ATOM 0 H ILE A 487 -1.391 7.892 4.260 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.275 8.771 1.697 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.545 9.167 1.822 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.954 11.634 2.513 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.396 11.037 0.926 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.671 10.201 3.705 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.883 8.670 4.156 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.142 10.221 4.615 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.772 12.956 1.554 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.774 11.493 1.401 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.325 12.100 3.013 1.00 15.00 H new ATOM 202 N ALA A 488 1.515 10.081 2.625 1.00 15.00 N ATOM 203 CA ALA A 488 2.733 10.588 3.173 1.00 15.00 C ATOM 204 C ALA A 488 2.724 12.104 3.095 1.00 15.00 C ATOM 205 O ALA A 488 2.067 12.658 2.216 1.00 15.00 O ATOM 206 CB ALA A 488 3.912 10.038 2.407 1.00 15.00 C ATOM 0 H ALA A 488 1.559 9.878 1.626 1.00 15.00 H new ATOM 0 HA ALA A 488 2.819 10.279 4.215 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.836 10.430 2.831 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.914 8.950 2.474 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.838 10.337 1.361 1.00 15.00 H new ATOM 212 N PRO A 489 3.402 12.797 4.024 1.00 15.00 N ATOM 213 CA PRO A 489 3.403 14.269 4.093 1.00 15.00 C ATOM 214 C PRO A 489 3.832 14.971 2.794 1.00 15.00 C ATOM 215 O PRO A 489 3.797 16.199 2.713 1.00 15.00 O ATOM 216 CB PRO A 489 4.403 14.571 5.212 1.00 15.00 C ATOM 217 CG PRO A 489 4.413 13.344 6.051 1.00 15.00 C ATOM 218 CD PRO A 489 4.213 12.200 5.099 1.00 15.00 C ATOM 0 HA PRO A 489 2.394 14.643 4.267 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.394 14.784 4.811 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.099 15.443 5.790 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.356 13.245 6.589 1.00 15.00 H new ATOM 0 HG3 PRO A 489 3.621 13.374 6.799 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.162 11.818 4.723 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.699 11.365 5.575 1.00 15.00 H new ATOM 226 N ASN A 490 4.228 14.208 1.779 1.00 15.00 N ATOM 227 CA ASN A 490 4.622 14.778 0.500 1.00 15.00 C ATOM 228 C ASN A 490 3.486 14.622 -0.497 1.00 15.00 C ATOM 229 O ASN A 490 3.488 15.233 -1.567 1.00 15.00 O ATOM 230 CB ASN A 490 5.929 14.155 -0.024 1.00 15.00 C ATOM 231 CG ASN A 490 5.966 12.641 0.091 1.00 15.00 C ATOM 232 OD1 ASN A 490 5.245 12.054 0.886 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.822 11.990 -0.675 1.00 15.00 N ATOM 0 H ASN A 490 4.284 13.190 1.821 1.00 15.00 H new ATOM 0 HA ASN A 490 4.822 15.840 0.638 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.063 14.436 -1.069 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.770 14.574 0.529 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.893 10.974 -0.612 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.412 12.503 -1.330 1.00 15.00 H new ATOM 240 N GLY A 491 2.527 13.770 -0.146 1.00 15.00 N ATOM 241 CA GLY A 491 1.380 13.544 -0.997 1.00 15.00 C ATOM 242 C GLY A 491 1.397 12.152 -1.567 1.00 15.00 C ATOM 243 O GLY A 491 0.886 11.907 -2.657 1.00 15.00 O ATOM 0 H GLY A 491 2.528 13.230 0.720 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.464 13.696 -0.426 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.375 14.273 -1.808 1.00 15.00 H new ATOM 247 N ARG A 492 1.983 11.234 -0.816 1.00 15.00 N ATOM 248 CA ARG A 492 2.213 9.889 -1.300 1.00 15.00 C ATOM 249 C ARG A 492 1.462 8.855 -0.480 1.00 15.00 C ATOM 250 O ARG A 492 1.914 8.475 0.588 1.00 15.00 O ATOM 251 CB ARG A 492 3.700 9.565 -1.239 1.00 15.00 C ATOM 252 CG ARG A 492 4.570 10.461 -2.086 1.00 15.00 C ATOM 253 CD ARG A 492 5.601 9.677 -2.869 1.00 15.00 C ATOM 254 NE ARG A 492 6.782 10.468 -3.204 1.00 15.00 N ATOM 255 CZ ARG A 492 7.227 10.653 -4.443 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.521 10.224 -5.480 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.370 11.293 -4.648 1.00 15.00 N ATOM 0 H ARG A 492 2.309 11.400 0.136 1.00 15.00 H new ATOM 0 HA ARG A 492 1.850 9.849 -2.327 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.031 9.632 -0.203 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.847 8.532 -1.555 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.944 11.026 -2.776 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.075 11.185 -1.447 1.00 15.00 H new ATOM 0 HD2 ARG A 492 5.906 8.806 -2.288 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.147 9.305 -3.787 1.00 15.00 H new ATOM 0 HE ARG A 492 7.297 10.906 -2.440 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.631 9.749 -5.330 1.00 15.00 H new ATOM 0 HH12 ARG A 492 6.868 10.369 -6.428 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.908 11.643 -3.855 1.00 15.00 H new ATOM 0 HH22 ARG A 492 8.712 11.435 -5.599 1.00 15.00 H new ATOM 271 N PRO A 493 0.297 8.411 -0.940 1.00 15.00 N ATOM 272 CA PRO A 493 -0.399 7.275 -0.354 1.00 15.00 C ATOM 273 C PRO A 493 0.039 6.004 -1.000 1.00 15.00 C ATOM 274 O PRO A 493 -0.368 5.656 -2.111 1.00 15.00 O ATOM 275 CB PRO A 493 -1.878 7.579 -0.633 1.00 15.00 C ATOM 276 CG PRO A 493 -1.865 8.946 -1.235 1.00 15.00 C ATOM 277 CD PRO A 493 -0.543 9.047 -1.937 1.00 15.00 C ATOM 0 HA PRO A 493 -0.199 7.143 0.709 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.313 6.848 -1.315 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.469 7.553 0.282 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.693 9.079 -1.931 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.966 9.716 -0.470 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.533 8.522 -2.892 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.251 10.078 -2.137 1.00 15.00 H new ATOM 285 N PHE A 494 0.949 5.356 -0.303 1.00 15.00 N ATOM 286 CA PHE A 494 1.563 4.173 -0.793 1.00 15.00 C ATOM 287 C PHE A 494 0.658 3.069 -0.290 1.00 15.00 C ATOM 288 O PHE A 494 0.461 2.956 0.924 1.00 15.00 O ATOM 289 CB PHE A 494 2.911 3.914 -0.123 1.00 15.00 C ATOM 290 CG PHE A 494 3.666 5.116 0.376 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.387 5.573 1.654 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.680 5.734 -0.331 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.070 6.589 2.214 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.369 6.796 0.234 1.00 15.00 C ATOM 295 CZ PHE A 494 5.062 7.217 1.514 1.00 15.00 C ATOM 0 H PHE A 494 1.274 5.648 0.619 1.00 15.00 H new ATOM 0 HA PHE A 494 1.706 4.237 -1.872 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.747 3.242 0.720 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.547 3.385 -0.833 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.597 5.099 2.218 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.935 5.390 -1.322 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.834 6.908 3.218 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.146 7.295 -0.326 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.603 8.039 1.959 1.00 15.00 H new ATOM 305 N PHE A 495 0.084 2.285 -1.149 1.00 15.00 N ATOM 306 CA PHE A 495 -0.626 1.132 -0.669 1.00 15.00 C ATOM 307 C PHE A 495 0.405 -0.005 -0.615 1.00 15.00 C ATOM 308 O PHE A 495 0.801 -0.519 -1.658 1.00 15.00 O ATOM 309 CB PHE A 495 -1.781 0.751 -1.600 1.00 15.00 C ATOM 310 CG PHE A 495 -2.803 1.836 -1.809 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.129 2.717 -0.790 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.433 1.977 -3.035 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.062 3.715 -0.990 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.366 2.972 -3.241 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.681 3.843 -2.217 1.00 15.00 C ATOM 0 H PHE A 495 0.089 2.413 -2.161 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.069 1.333 0.307 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.370 0.466 -2.569 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.282 -0.128 -1.195 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.647 2.622 0.172 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.190 1.299 -3.840 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.307 4.395 -0.187 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -4.849 3.070 -4.202 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.411 4.623 -2.376 1.00 15.00 H new ATOM 325 N TYR A 496 0.915 -0.341 0.568 1.00 15.00 N ATOM 326 CA TYR A 496 2.031 -1.294 0.653 1.00 15.00 C ATOM 327 C TYR A 496 1.610 -2.658 1.240 1.00 15.00 C ATOM 328 O TYR A 496 1.010 -2.726 2.315 1.00 15.00 O ATOM 329 CB TYR A 496 3.214 -0.648 1.414 1.00 15.00 C ATOM 330 CG TYR A 496 4.052 -1.612 2.240 1.00 15.00 C ATOM 331 CD1 TYR A 496 5.104 -2.326 1.669 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.804 -1.797 3.594 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.872 -3.189 2.424 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.571 -2.662 4.352 1.00 15.00 C ATOM 335 CZ TYR A 496 5.601 -3.353 3.762 1.00 15.00 C ATOM 336 OH TYR A 496 6.368 -4.209 4.514 1.00 15.00 O ATOM 0 H TYR A 496 0.587 0.020 1.464 1.00 15.00 H new ATOM 0 HA TYR A 496 2.364 -1.520 -0.360 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.863 -0.153 0.692 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.822 0.126 2.074 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.322 -2.202 0.618 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.997 -1.255 4.064 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.684 -3.734 1.965 1.00 15.00 H new ATOM 0 HE2 TYR A 496 4.361 -2.794 5.403 1.00 15.00 H new ATOM 0 HH TYR A 496 6.046 -4.209 5.440 1.00 15.00 H new ATOM 346 N ASP A 497 1.955 -3.738 0.507 1.00 15.00 N ATOM 347 CA ASP A 497 1.560 -5.123 0.851 1.00 15.00 C ATOM 348 C ASP A 497 2.648 -5.715 1.763 1.00 15.00 C ATOM 349 O ASP A 497 3.835 -5.598 1.451 1.00 15.00 O ATOM 350 CB ASP A 497 1.492 -6.002 -0.402 1.00 15.00 C ATOM 351 CG ASP A 497 0.919 -7.383 -0.109 1.00 15.00 C ATOM 352 OD1 ASP A 497 1.621 -8.202 0.510 1.00 15.00 O ATOM 353 OD2 ASP A 497 -0.247 -7.652 -0.485 1.00 15.00 O ATOM 0 H ASP A 497 2.517 -3.675 -0.342 1.00 15.00 H new ATOM 0 HA ASP A 497 0.582 -5.099 1.332 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.878 -5.509 -1.156 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.492 -6.108 -0.824 1.00 15.00 H new ATOM 358 N HIS A 498 2.271 -6.365 2.858 1.00 15.00 N ATOM 359 CA HIS A 498 3.252 -6.816 3.853 1.00 15.00 C ATOM 360 C HIS A 498 3.719 -8.243 3.581 1.00 15.00 C ATOM 361 O HIS A 498 4.629 -8.739 4.243 1.00 15.00 O ATOM 362 CB HIS A 498 2.678 -6.730 5.277 1.00 15.00 C ATOM 363 CG HIS A 498 2.241 -5.354 5.681 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.781 -4.432 4.779 1.00 15.00 N ATOM 365 CD2 HIS A 498 2.153 -4.755 6.893 1.00 15.00 C ATOM 366 CE1 HIS A 498 1.423 -3.343 5.396 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.636 -3.500 6.687 1.00 15.00 N ATOM 0 H HIS A 498 1.303 -6.593 3.083 1.00 15.00 H new ATOM 0 HA HIS A 498 4.110 -6.149 3.771 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.827 -7.407 5.355 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.431 -7.082 5.982 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.436 -5.184 7.843 1.00 15.00 H new ATOM 0 HE1 HIS A 498 1.019 -2.458 4.928 1.00 15.00 H new ATOM 0 HE2 HIS A 498 1.448 -2.806 7.411 1.00 15.00 H new ATOM 376 N ASN A 499 3.106 -8.896 2.603 1.00 15.00 N ATOM 377 CA ASN A 499 3.446 -10.275 2.280 1.00 15.00 C ATOM 378 C ASN A 499 4.608 -10.297 1.307 1.00 15.00 C ATOM 379 O ASN A 499 5.544 -11.087 1.448 1.00 15.00 O ATOM 380 CB ASN A 499 2.252 -11.020 1.666 1.00 15.00 C ATOM 381 CG ASN A 499 0.982 -10.888 2.485 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.714 -11.687 3.381 1.00 15.00 O ATOM 383 ND2 ASN A 499 0.183 -9.879 2.177 1.00 15.00 N ATOM 0 H ASN A 499 2.372 -8.494 2.020 1.00 15.00 H new ATOM 0 HA ASN A 499 3.722 -10.780 3.206 1.00 15.00 H new ATOM 0 HB2 ASN A 499 2.071 -10.638 0.662 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.504 -12.076 1.565 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.689 -9.744 2.689 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.439 -9.236 1.427 1.00 15.00 H new ATOM 390 N THR A 500 4.539 -9.431 0.307 1.00 15.00 N ATOM 391 CA THR A 500 5.600 -9.326 -0.678 1.00 15.00 C ATOM 392 C THR A 500 6.485 -8.114 -0.412 1.00 15.00 C ATOM 393 O THR A 500 7.450 -7.873 -1.140 1.00 15.00 O ATOM 394 CB THR A 500 5.031 -9.246 -2.107 1.00 15.00 C ATOM 395 OG1 THR A 500 3.953 -8.303 -2.157 1.00 15.00 O ATOM 396 CG2 THR A 500 4.537 -10.605 -2.574 1.00 15.00 C ATOM 0 H THR A 500 3.758 -8.792 0.158 1.00 15.00 H new ATOM 0 HA THR A 500 6.205 -10.228 -0.591 1.00 15.00 H new ATOM 0 HB THR A 500 5.832 -8.920 -2.770 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.599 -8.258 -3.070 1.00 15.00 H new ATOM 0 HG21 THR A 500 4.140 -10.520 -3.586 1.00 15.00 H new ATOM 0 HG22 THR A 500 5.364 -11.315 -2.567 1.00 15.00 H new ATOM 0 HG23 THR A 500 3.752 -10.956 -1.905 1.00 15.00 H new ATOM 404 N LYS A 501 6.145 -7.350 0.634 1.00 15.00 N ATOM 405 CA LYS A 501 6.918 -6.167 1.030 1.00 15.00 C ATOM 406 C LYS A 501 6.936 -5.133 -0.090 1.00 15.00 C ATOM 407 O LYS A 501 7.854 -4.317 -0.187 1.00 15.00 O ATOM 408 CB LYS A 501 8.355 -6.559 1.387 1.00 15.00 C ATOM 409 CG LYS A 501 8.461 -7.604 2.488 1.00 15.00 C ATOM 410 CD LYS A 501 7.992 -7.058 3.824 1.00 15.00 C ATOM 411 CE LYS A 501 8.101 -8.101 4.918 1.00 15.00 C ATOM 412 NZ LYS A 501 7.856 -7.516 6.261 1.00 15.00 N ATOM 0 H LYS A 501 5.334 -7.532 1.225 1.00 15.00 H new ATOM 0 HA LYS A 501 6.437 -5.731 1.906 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.849 -6.938 0.493 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.897 -5.665 1.696 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.864 -8.476 2.221 1.00 15.00 H new ATOM 0 HG3 LYS A 501 9.495 -7.939 2.574 1.00 15.00 H new ATOM 0 HD2 LYS A 501 8.588 -6.185 4.091 1.00 15.00 H new ATOM 0 HD3 LYS A 501 6.958 -6.724 3.739 1.00 15.00 H new ATOM 0 HE2 LYS A 501 7.383 -8.900 4.732 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.093 -8.552 4.893 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 7.939 -8.259 6.984 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 8.557 -6.771 6.448 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 6.900 -7.108 6.293 1.00 15.00 H new ATOM 426 N THR A 502 5.897 -5.130 -0.905 1.00 15.00 N ATOM 427 CA THR A 502 5.874 -4.273 -2.070 1.00 15.00 C ATOM 428 C THR A 502 5.189 -2.941 -1.764 1.00 15.00 C ATOM 429 O THR A 502 4.030 -2.895 -1.343 1.00 15.00 O ATOM 430 CB THR A 502 5.199 -4.968 -3.282 1.00 15.00 C ATOM 431 OG1 THR A 502 5.295 -4.144 -4.451 1.00 15.00 O ATOM 432 CG2 THR A 502 3.735 -5.286 -3.009 1.00 15.00 C ATOM 0 H THR A 502 5.065 -5.707 -0.781 1.00 15.00 H new ATOM 0 HA THR A 502 6.911 -4.071 -2.338 1.00 15.00 H new ATOM 0 HB THR A 502 5.728 -5.906 -3.449 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.866 -4.597 -5.207 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.299 -5.772 -3.882 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.661 -5.952 -2.149 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.195 -4.363 -2.800 1.00 15.00 H new ATOM 440 N THR A 503 5.926 -1.861 -1.951 1.00 15.00 N ATOM 441 CA THR A 503 5.359 -0.532 -1.875 1.00 15.00 C ATOM 442 C THR A 503 4.874 -0.142 -3.267 1.00 15.00 C ATOM 443 O THR A 503 5.653 -0.129 -4.218 1.00 15.00 O ATOM 444 CB THR A 503 6.398 0.490 -1.359 1.00 15.00 C ATOM 445 OG1 THR A 503 7.687 0.207 -1.919 1.00 15.00 O ATOM 446 CG2 THR A 503 6.497 0.471 0.156 1.00 15.00 C ATOM 0 H THR A 503 6.925 -1.882 -2.158 1.00 15.00 H new ATOM 0 HA THR A 503 4.527 -0.530 -1.171 1.00 15.00 H new ATOM 0 HB THR A 503 6.066 1.480 -1.670 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.591 -0.002 -2.872 1.00 15.00 H new ATOM 0 HG21 THR A 503 7.237 1.202 0.481 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.527 0.720 0.587 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.798 -0.522 0.489 1.00 15.00 H new ATOM 454 N THR A 504 3.586 0.124 -3.399 1.00 15.00 N ATOM 455 CA THR A 504 2.991 0.335 -4.704 1.00 15.00 C ATOM 456 C THR A 504 1.872 1.373 -4.612 1.00 15.00 C ATOM 457 O THR A 504 1.256 1.524 -3.564 1.00 15.00 O ATOM 458 CB THR A 504 2.461 -1.017 -5.256 1.00 15.00 C ATOM 459 OG1 THR A 504 2.765 -1.148 -6.652 1.00 15.00 O ATOM 460 CG2 THR A 504 0.960 -1.183 -5.033 1.00 15.00 C ATOM 0 H THR A 504 2.934 0.199 -2.618 1.00 15.00 H new ATOM 0 HA THR A 504 3.744 0.718 -5.392 1.00 15.00 H new ATOM 0 HB THR A 504 2.968 -1.806 -4.701 1.00 15.00 H new ATOM 0 HG1 THR A 504 2.416 -0.371 -7.137 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.636 -2.143 -5.436 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.745 -1.146 -3.965 1.00 15.00 H new ATOM 0 HG23 THR A 504 0.426 -0.379 -5.539 1.00 15.00 H new ATOM 468 N TRP A 505 1.637 2.119 -5.681 1.00 15.00 N ATOM 469 CA TRP A 505 0.547 3.088 -5.683 1.00 15.00 C ATOM 470 C TRP A 505 -0.625 2.522 -6.481 1.00 15.00 C ATOM 471 O TRP A 505 -1.709 3.103 -6.531 1.00 15.00 O ATOM 472 CB TRP A 505 0.980 4.421 -6.297 1.00 15.00 C ATOM 473 CG TRP A 505 2.434 4.754 -6.121 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.438 4.417 -6.984 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.057 5.497 -5.052 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.638 4.895 -6.528 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.433 5.562 -5.356 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.608 6.118 -3.869 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.343 6.216 -4.541 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.522 6.758 -3.074 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.871 6.804 -3.412 1.00 15.00 C ATOM 0 H TRP A 505 2.176 2.076 -6.546 1.00 15.00 H new ATOM 0 HA TRP A 505 0.253 3.272 -4.650 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.752 4.405 -7.363 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.383 5.219 -5.855 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.305 3.854 -7.896 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.539 4.772 -6.990 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.564 6.090 -3.595 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.392 6.257 -4.795 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.188 7.237 -2.165 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.560 7.320 -2.760 1.00 15.00 H new ATOM 492 N GLU A 506 -0.366 1.387 -7.122 1.00 15.00 N ATOM 493 CA GLU A 506 -1.350 0.682 -7.937 1.00 15.00 C ATOM 494 C GLU A 506 -2.431 0.069 -7.061 1.00 15.00 C ATOM 495 O GLU A 506 -2.170 -0.310 -5.920 1.00 15.00 O ATOM 496 CB GLU A 506 -0.668 -0.427 -8.751 1.00 15.00 C ATOM 497 CG GLU A 506 0.224 0.067 -9.887 1.00 15.00 C ATOM 498 CD GLU A 506 1.407 0.894 -9.418 1.00 15.00 C ATOM 499 OE1 GLU A 506 1.911 0.652 -8.299 1.00 15.00 O ATOM 500 OE2 GLU A 506 1.841 1.792 -10.168 1.00 15.00 O ATOM 0 H GLU A 506 0.543 0.925 -7.090 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.807 1.403 -8.615 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.068 -1.037 -8.076 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.437 -1.077 -9.168 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.592 -0.792 -10.448 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -0.375 0.664 -10.575 1.00 15.00 H new ATOM 507 N ASP A 507 -3.636 -0.046 -7.613 1.00 15.00 N ATOM 508 CA ASP A 507 -4.777 -0.594 -6.884 1.00 15.00 C ATOM 509 C ASP A 507 -4.510 -2.032 -6.430 1.00 15.00 C ATOM 510 O ASP A 507 -4.434 -2.947 -7.240 1.00 15.00 O ATOM 511 CB ASP A 507 -6.037 -0.544 -7.753 1.00 15.00 C ATOM 512 CG ASP A 507 -7.286 -0.951 -6.994 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.466 -2.155 -6.743 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.100 -0.063 -6.654 1.00 15.00 O ATOM 0 H ASP A 507 -3.849 0.235 -8.570 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.930 0.019 -5.996 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.166 0.466 -8.142 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -5.908 -1.202 -8.612 1.00 15.00 H new ATOM 519 N PRO A 508 -4.362 -2.213 -5.107 1.00 15.00 N ATOM 520 CA PRO A 508 -4.058 -3.491 -4.439 1.00 15.00 C ATOM 521 C PRO A 508 -5.257 -4.342 -4.276 1.00 15.00 C ATOM 522 O PRO A 508 -5.184 -5.509 -3.920 1.00 15.00 O ATOM 523 CB PRO A 508 -3.520 -3.084 -3.078 1.00 15.00 C ATOM 524 CG PRO A 508 -3.586 -1.598 -3.040 1.00 15.00 C ATOM 525 CD PRO A 508 -4.515 -1.159 -4.119 1.00 15.00 C ATOM 0 HA PRO A 508 -3.356 -4.084 -5.025 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.115 -3.522 -2.276 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.496 -3.433 -2.943 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -3.940 -1.255 -2.068 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.596 -1.167 -3.189 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.543 -1.081 -3.764 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.241 -0.183 -4.520 1.00 15.00 H new ATOM 533 N ARG A 509 -6.356 -3.750 -4.562 1.00 15.00 N ATOM 534 CA ARG A 509 -7.607 -4.341 -4.326 1.00 15.00 C ATOM 535 C ARG A 509 -7.818 -5.277 -5.471 1.00 15.00 C ATOM 536 O ARG A 509 -8.759 -6.063 -5.529 1.00 15.00 O ATOM 537 CB ARG A 509 -8.629 -3.242 -4.146 1.00 15.00 C ATOM 538 CG ARG A 509 -8.062 -2.169 -3.224 1.00 15.00 C ATOM 539 CD ARG A 509 -9.074 -1.077 -2.938 1.00 15.00 C ATOM 540 NE ARG A 509 -9.422 -0.351 -4.161 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.472 0.455 -4.286 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.313 0.629 -3.274 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.688 1.077 -5.434 1.00 15.00 N ATOM 0 H ARG A 509 -6.406 -2.819 -4.976 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.690 -4.927 -3.410 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -8.886 -2.808 -5.112 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.548 -3.650 -3.725 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.746 -2.626 -2.286 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.174 -1.731 -3.680 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -9.972 -1.514 -2.502 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.668 -0.383 -2.202 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.817 -0.472 -4.973 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.156 0.142 -2.391 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.116 1.249 -3.379 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.050 0.937 -6.218 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.492 1.696 -5.535 1.00 15.00 H new ATOM 557 N LEU A 510 -6.894 -5.123 -6.414 1.00 15.00 N ATOM 558 CA LEU A 510 -6.806 -5.983 -7.556 1.00 15.00 C ATOM 559 C LEU A 510 -6.842 -7.465 -7.125 1.00 15.00 C ATOM 560 O LEU A 510 -7.412 -8.320 -7.803 1.00 15.00 O ATOM 561 CB LEU A 510 -5.516 -5.733 -8.374 1.00 15.00 C ATOM 562 CG LEU A 510 -4.245 -6.459 -7.870 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.233 -6.628 -8.982 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.575 -5.713 -6.734 1.00 15.00 C ATOM 0 H LEU A 510 -6.187 -4.388 -6.394 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.666 -5.755 -8.186 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -5.699 -6.035 -9.405 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -5.318 -4.661 -8.386 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.578 -7.434 -7.513 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.352 -7.141 -8.597 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -3.672 -7.216 -9.788 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -2.945 -5.649 -9.364 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.688 -6.259 -6.413 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.286 -4.718 -7.073 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.269 -5.624 -5.898 1.00 15.00 H new ATOM 701 N PRO B 205 4.713 1.928 6.147 1.00 15.00 N ATOM 702 CA PRO B 205 5.240 2.250 4.819 1.00 15.00 C ATOM 703 C PRO B 205 5.338 3.753 4.544 1.00 15.00 C ATOM 704 O PRO B 205 4.327 4.427 4.383 1.00 15.00 O ATOM 705 CB PRO B 205 4.209 1.630 3.858 1.00 15.00 C ATOM 706 CG PRO B 205 3.042 1.211 4.689 1.00 15.00 C ATOM 707 CD PRO B 205 3.539 1.056 6.086 1.00 15.00 C ATOM 0 HA PRO B 205 6.257 1.872 4.711 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.904 2.352 3.100 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.636 0.776 3.332 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.247 1.956 4.642 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.623 0.274 4.322 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.783 1.354 6.813 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.800 0.020 6.303 1.00 15.00 H new ATOM 715 N ASN B 206 6.563 4.278 4.558 1.00 15.00 N ATOM 716 CA ASN B 206 6.819 5.666 4.154 1.00 15.00 C ATOM 717 C ASN B 206 7.787 5.731 2.972 1.00 15.00 C ATOM 718 O ASN B 206 7.938 6.768 2.338 1.00 15.00 O ATOM 719 CB ASN B 206 7.335 6.498 5.333 1.00 15.00 C ATOM 720 CG ASN B 206 7.590 7.961 4.994 1.00 15.00 C ATOM 721 OD1 ASN B 206 8.531 8.570 5.502 1.00 15.00 O ATOM 722 ND2 ASN B 206 6.738 8.545 4.165 1.00 15.00 N ATOM 0 H ASN B 206 7.397 3.765 4.845 1.00 15.00 H new ATOM 0 HA ASN B 206 5.871 6.095 3.830 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.611 6.445 6.146 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.260 6.054 5.700 1.00 15.00 H new ATOM 0 HD21 ASN B 206 6.851 9.531 3.929 1.00 15.00 H new ATOM 0 HD22 ASN B 206 5.969 8.009 3.763 1.00 15.00 H new ATOM 729 N LEU B 207 8.468 4.629 2.693 1.00 15.00 N ATOM 730 CA LEU B 207 9.439 4.602 1.608 1.00 15.00 C ATOM 731 C LEU B 207 8.748 4.671 0.243 1.00 15.00 C ATOM 732 O LEU B 207 8.134 3.703 -0.209 1.00 15.00 O ATOM 733 CB LEU B 207 10.353 3.364 1.696 1.00 15.00 C ATOM 734 CG LEU B 207 9.660 1.993 1.697 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.654 0.904 1.327 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.048 1.688 3.059 1.00 15.00 C ATOM 0 H LEU B 207 8.368 3.748 3.198 1.00 15.00 H new ATOM 0 HA LEU B 207 10.067 5.487 1.715 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.047 3.394 0.856 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.949 3.445 2.605 1.00 15.00 H new ATOM 0 HG LEU B 207 8.860 2.020 0.958 1.00 15.00 H new ATOM 0 HD11 LEU B 207 10.152 -0.063 1.331 1.00 15.00 H new ATOM 0 HD12 LEU B 207 11.056 1.100 0.333 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.468 0.893 2.052 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.564 0.712 3.030 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.831 1.683 3.817 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.310 2.451 3.305 1.00 15.00 H new