USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 388 LYS NZ :NH3+ 168:sc= -0.0768 (180deg=-0.291) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.381 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.13) USER MOD Single : A 400 GLN : amide:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 401 ASN : amide:sc= 0.465 K(o=0.47,f=-4.7!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 167:sc= 0.98 (180deg=0.876) USER MOD Single : A 408 GLN : amide:sc= -3.97! K(o=-4!,f=-0.84) USER MOD Single : A 410 LYS NZ :NH3+ -159:sc= -0.0805 (180deg=-0.42) USER MOD Single : A 411 SER OG : rot 37:sc=-0.00699 USER MOD Single : A 417 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-10!) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.779 K(o=-0.78,f=-5.2!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -117:sc= -0.143 (180deg=-2.57!) USER MOD Single : A 434 ASN : amide:sc= 0.65 K(o=0.65,f=-0.5) USER MOD Single : A 437 SER OG : rot 179:sc= -1.48! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 14.741 -1.125 -3.213 1.00 0.00 N ATOM 21 CA ARG A 387 14.179 -0.218 -2.246 1.00 0.00 C ATOM 22 C ARG A 387 13.730 1.125 -2.790 1.00 0.00 C ATOM 23 O ARG A 387 13.703 1.365 -3.987 1.00 0.00 O ATOM 24 CB ARG A 387 15.210 -0.039 -1.180 1.00 0.00 C ATOM 25 CG ARG A 387 15.592 -1.344 -0.551 1.00 0.00 C ATOM 26 CD ARG A 387 16.860 -1.885 -1.168 1.00 0.00 C ATOM 27 NE ARG A 387 17.263 -3.164 -0.601 1.00 0.00 N ATOM 28 CZ ARG A 387 18.496 -3.659 -0.679 1.00 0.00 C ATOM 29 NH1 ARG A 387 19.477 -2.933 -1.206 1.00 0.00 N ATOM 30 NH2 ARG A 387 18.750 -4.865 -0.188 1.00 0.00 N ATOM 0 HA ARG A 387 13.255 -0.660 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.096 0.432 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.828 0.636 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.733 -1.209 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.784 -2.065 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.716 -1.998 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 387 17.664 -1.162 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 387 16.556 -3.715 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 387 19.286 -1.993 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 387 20.421 -3.316 -1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 387 18.003 -5.407 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 387 19.693 -5.250 -0.244 1.00 0.00 H new ATOM 44 N LYS A 388 13.377 1.978 -1.849 1.00 0.00 N ATOM 45 CA LYS A 388 12.848 3.302 -2.105 1.00 0.00 C ATOM 46 C LYS A 388 11.414 3.253 -2.617 1.00 0.00 C ATOM 47 O LYS A 388 11.026 4.019 -3.499 1.00 0.00 O ATOM 48 CB LYS A 388 13.716 4.054 -3.079 1.00 0.00 C ATOM 49 CG LYS A 388 14.872 4.818 -2.448 1.00 0.00 C ATOM 50 CD LYS A 388 15.815 3.901 -1.686 1.00 0.00 C ATOM 51 CE LYS A 388 16.995 4.666 -1.111 1.00 0.00 C ATOM 52 NZ LYS A 388 16.563 5.831 -0.295 1.00 0.00 N ATOM 0 H LYS A 388 13.453 1.762 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 388 12.848 3.830 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.119 3.348 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.093 4.757 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.427 5.343 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.478 5.576 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.272 3.409 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.178 3.117 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.596 3.996 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.634 5.011 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.375 6.201 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.193 6.575 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.819 5.534 0.368 1.00 0.00 H new ATOM 66 N CYS A 389 10.654 2.325 -2.070 1.00 0.00 N ATOM 67 CA CYS A 389 9.213 2.243 -2.314 1.00 0.00 C ATOM 68 C CYS A 389 8.546 3.586 -2.057 1.00 0.00 C ATOM 69 O CYS A 389 8.621 4.120 -0.948 1.00 0.00 O ATOM 70 CB CYS A 389 8.554 1.222 -1.383 1.00 0.00 C ATOM 71 SG CYS A 389 9.344 -0.413 -1.329 1.00 0.00 S ATOM 0 H CYS A 389 11.010 1.603 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 389 9.086 1.943 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.540 1.633 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.516 1.094 -1.689 1.00 0.00 H new ATOM 76 N TYR A 390 7.907 4.133 -3.075 1.00 0.00 N ATOM 77 CA TYR A 390 7.087 5.318 -2.900 1.00 0.00 C ATOM 78 C TYR A 390 5.633 4.895 -2.755 1.00 0.00 C ATOM 79 O TYR A 390 5.126 4.124 -3.571 1.00 0.00 O ATOM 80 CB TYR A 390 7.248 6.269 -4.092 1.00 0.00 C ATOM 81 CG TYR A 390 6.443 7.544 -3.963 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.863 8.570 -3.127 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.267 7.724 -4.681 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.136 9.737 -3.008 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.533 8.889 -4.567 1.00 0.00 C ATOM 86 CZ TYR A 390 4.972 9.892 -3.731 1.00 0.00 C ATOM 87 OH TYR A 390 4.249 11.057 -3.617 1.00 0.00 O ATOM 0 H TYR A 390 7.940 3.776 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 390 7.407 5.848 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.302 6.524 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.948 5.751 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.775 8.453 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.921 6.940 -5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.477 10.525 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.620 9.013 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 390 3.457 11.008 -4.192 1.00 0.00 H new ATOM 97 N PHE A 391 4.973 5.353 -1.703 1.00 0.00 N ATOM 98 CA PHE A 391 3.575 5.007 -1.497 1.00 0.00 C ATOM 99 C PHE A 391 2.686 5.874 -2.382 1.00 0.00 C ATOM 100 O PHE A 391 2.632 7.096 -2.219 1.00 0.00 O ATOM 101 CB PHE A 391 3.181 5.165 -0.029 1.00 0.00 C ATOM 102 CG PHE A 391 1.891 4.473 0.315 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.894 3.150 0.724 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.679 5.139 0.226 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.713 2.505 1.038 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.506 4.498 0.539 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.488 3.180 0.947 1.00 0.00 C ATOM 0 H PHE A 391 5.376 5.957 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 391 3.437 3.961 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.978 4.767 0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.090 6.226 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.830 2.616 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.659 6.171 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.729 1.473 1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.444 5.028 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.411 2.677 1.195 1.00 0.00 H new ATOM 117 N PRO A 392 1.985 5.243 -3.332 1.00 0.00 N ATOM 118 CA PRO A 392 1.163 5.940 -4.310 1.00 0.00 C ATOM 119 C PRO A 392 -0.256 6.198 -3.811 1.00 0.00 C ATOM 120 O PRO A 392 -0.648 5.749 -2.731 1.00 0.00 O ATOM 121 CB PRO A 392 1.151 4.960 -5.480 1.00 0.00 C ATOM 122 CG PRO A 392 1.228 3.608 -4.849 1.00 0.00 C ATOM 123 CD PRO A 392 1.930 3.782 -3.523 1.00 0.00 C ATOM 0 HA PRO A 392 1.551 6.930 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.245 5.067 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.994 5.133 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.231 3.191 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.775 2.914 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.383 3.295 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.928 3.345 -3.540 1.00 0.00 H new ATOM 131 N TYR A 393 -1.017 6.930 -4.609 1.00 0.00 N ATOM 132 CA TYR A 393 -2.384 7.280 -4.267 1.00 0.00 C ATOM 133 C TYR A 393 -3.329 6.107 -4.496 1.00 0.00 C ATOM 134 O TYR A 393 -3.496 5.634 -5.620 1.00 0.00 O ATOM 135 CB TYR A 393 -2.836 8.502 -5.084 1.00 0.00 C ATOM 136 CG TYR A 393 -4.330 8.752 -5.048 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.925 9.414 -3.982 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.147 8.308 -6.081 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.292 9.626 -3.950 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.512 8.513 -6.054 1.00 0.00 C ATOM 141 CZ TYR A 393 -7.081 9.171 -4.987 1.00 0.00 C ATOM 142 OH TYR A 393 -8.441 9.370 -4.957 1.00 0.00 O ATOM 0 H TYR A 393 -0.705 7.296 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.416 7.530 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.321 9.387 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.526 8.368 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.312 9.768 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.705 7.793 -6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.740 10.146 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.130 8.159 -6.866 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.845 8.989 -5.764 1.00 0.00 H new ATOM 152 N LEU A 394 -3.930 5.645 -3.416 1.00 0.00 N ATOM 153 CA LEU A 394 -4.951 4.614 -3.477 1.00 0.00 C ATOM 154 C LEU A 394 -6.216 5.198 -4.070 1.00 0.00 C ATOM 155 O LEU A 394 -6.695 6.237 -3.605 1.00 0.00 O ATOM 156 CB LEU A 394 -5.236 4.097 -2.072 1.00 0.00 C ATOM 157 CG LEU A 394 -3.991 3.755 -1.264 1.00 0.00 C ATOM 158 CD1 LEU A 394 -4.301 3.808 0.217 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.464 2.384 -1.655 1.00 0.00 C ATOM 0 H LEU A 394 -3.725 5.973 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.603 3.790 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.811 4.849 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.863 3.208 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.217 4.491 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.404 3.562 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.635 4.811 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -5.087 3.090 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.574 2.155 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.229 1.632 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.210 2.380 -2.715 1.00 0.00 H new ATOM 171 N GLU A 395 -6.747 4.551 -5.095 1.00 0.00 N ATOM 172 CA GLU A 395 -7.941 5.046 -5.750 1.00 0.00 C ATOM 173 C GLU A 395 -9.126 5.002 -4.792 1.00 0.00 C ATOM 174 O GLU A 395 -9.624 3.929 -4.447 1.00 0.00 O ATOM 175 CB GLU A 395 -8.246 4.262 -7.033 1.00 0.00 C ATOM 176 CG GLU A 395 -8.371 2.756 -6.848 1.00 0.00 C ATOM 177 CD GLU A 395 -7.063 2.023 -7.072 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.278 1.883 -6.112 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.819 1.582 -8.214 1.00 0.00 O ATOM 0 H GLU A 395 -6.371 3.688 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.762 6.082 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.175 4.640 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -7.458 4.460 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -8.730 2.548 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.120 2.371 -7.540 1.00 0.00 H new ATOM 186 N ASN A 396 -9.557 6.183 -4.351 1.00 0.00 N ATOM 187 CA ASN A 396 -10.671 6.312 -3.410 1.00 0.00 C ATOM 188 C ASN A 396 -10.319 5.662 -2.072 1.00 0.00 C ATOM 189 O ASN A 396 -11.173 5.052 -1.420 1.00 0.00 O ATOM 190 CB ASN A 396 -11.953 5.672 -3.973 1.00 0.00 C ATOM 191 CG ASN A 396 -12.326 6.179 -5.354 1.00 0.00 C ATOM 192 OD1 ASN A 396 -13.031 7.180 -5.496 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.878 5.469 -6.381 1.00 0.00 N ATOM 0 H ASN A 396 -9.147 7.073 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.853 7.376 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.822 4.591 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.778 5.867 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -12.115 5.745 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.297 4.647 -6.218 1.00 0.00 H new ATOM 200 N GLY A 397 -9.058 5.784 -1.668 1.00 0.00 N ATOM 201 CA GLY A 397 -8.616 5.157 -0.438 1.00 0.00 C ATOM 202 C GLY A 397 -7.887 6.111 0.480 1.00 0.00 C ATOM 203 O GLY A 397 -7.583 7.245 0.099 1.00 0.00 O ATOM 0 H GLY A 397 -8.338 6.304 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.480 4.746 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.961 4.320 -0.678 1.00 0.00 H new ATOM 207 N TYR A 398 -7.594 5.646 1.690 1.00 0.00 N ATOM 208 CA TYR A 398 -6.940 6.470 2.691 1.00 0.00 C ATOM 209 C TYR A 398 -5.453 6.592 2.399 1.00 0.00 C ATOM 210 O TYR A 398 -4.636 5.814 2.896 1.00 0.00 O ATOM 211 CB TYR A 398 -7.161 5.890 4.087 1.00 0.00 C ATOM 212 CG TYR A 398 -8.598 5.970 4.557 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.061 7.089 5.238 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.491 4.932 4.317 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.372 7.171 5.669 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.802 5.007 4.745 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.238 6.127 5.420 1.00 0.00 C ATOM 218 OH TYR A 398 -12.544 6.201 5.849 1.00 0.00 O ATOM 0 H TYR A 398 -7.802 4.696 1.999 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.380 7.466 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.843 4.847 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.526 6.420 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.385 7.909 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.154 4.053 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -10.716 8.048 6.198 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.483 4.191 4.552 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.020 5.384 5.592 1.00 0.00 H new ATOM 228 N ASN A 399 -5.111 7.586 1.598 1.00 0.00 N ATOM 229 CA ASN A 399 -3.731 7.830 1.194 1.00 0.00 C ATOM 230 C ASN A 399 -2.958 8.575 2.278 1.00 0.00 C ATOM 231 O ASN A 399 -2.268 9.554 2.004 1.00 0.00 O ATOM 232 CB ASN A 399 -3.684 8.615 -0.122 1.00 0.00 C ATOM 233 CG ASN A 399 -4.605 9.825 -0.140 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.213 10.931 0.233 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.835 9.618 -0.580 1.00 0.00 N ATOM 0 H ASN A 399 -5.780 8.249 1.207 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.255 6.861 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.661 8.944 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.955 7.950 -0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.499 10.391 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.119 8.685 -0.880 1.00 0.00 H new ATOM 242 N GLN A 400 -3.054 8.078 3.501 1.00 0.00 N ATOM 243 CA GLN A 400 -2.386 8.684 4.646 1.00 0.00 C ATOM 244 C GLN A 400 -0.870 8.541 4.529 1.00 0.00 C ATOM 245 O GLN A 400 -0.113 9.304 5.124 1.00 0.00 O ATOM 246 CB GLN A 400 -2.880 8.020 5.930 1.00 0.00 C ATOM 247 CG GLN A 400 -4.391 8.061 6.092 1.00 0.00 C ATOM 248 CD GLN A 400 -4.872 7.265 7.289 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.986 7.792 8.396 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.155 5.991 7.077 1.00 0.00 N ATOM 0 H GLN A 400 -3.596 7.245 3.730 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.624 9.747 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.549 6.981 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.417 8.512 6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.713 9.097 6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.860 7.671 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.047 5.593 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.481 5.406 7.846 1.00 0.00 H new ATOM 259 N ASN A 401 -0.437 7.555 3.753 1.00 0.00 N ATOM 260 CA ASN A 401 0.986 7.310 3.559 1.00 0.00 C ATOM 261 C ASN A 401 1.445 7.805 2.195 1.00 0.00 C ATOM 262 O ASN A 401 2.625 7.715 1.863 1.00 0.00 O ATOM 263 CB ASN A 401 1.312 5.820 3.711 1.00 0.00 C ATOM 264 CG ASN A 401 1.225 5.345 5.148 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.206 5.409 5.886 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.059 4.857 5.553 1.00 0.00 N ATOM 0 H ASN A 401 -1.049 6.914 3.249 1.00 0.00 H new ATOM 0 HA ASN A 401 1.522 7.865 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.624 5.238 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.316 5.631 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.047 4.517 6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.731 4.822 4.908 1.00 0.00 H new ATOM 273 N TYR A 402 0.516 8.330 1.405 1.00 0.00 N ATOM 274 CA TYR A 402 0.846 8.826 0.077 1.00 0.00 C ATOM 275 C TYR A 402 1.827 9.989 0.172 1.00 0.00 C ATOM 276 O TYR A 402 1.516 11.045 0.727 1.00 0.00 O ATOM 277 CB TYR A 402 -0.426 9.234 -0.664 1.00 0.00 C ATOM 278 CG TYR A 402 -0.200 9.964 -1.971 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.418 9.338 -3.042 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.633 11.273 -2.141 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.604 9.991 -4.243 1.00 0.00 C ATOM 282 CE2 TYR A 402 -0.449 11.937 -3.340 1.00 0.00 C ATOM 283 CZ TYR A 402 0.169 11.289 -4.388 1.00 0.00 C ATOM 284 OH TYR A 402 0.353 11.943 -5.587 1.00 0.00 O ATOM 0 H TYR A 402 -0.467 8.423 1.660 1.00 0.00 H new ATOM 0 HA TYR A 402 1.327 8.029 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.016 8.339 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -1.022 9.869 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.761 8.319 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -1.122 11.781 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.089 9.486 -5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -0.787 12.956 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 402 -0.011 12.851 -5.524 1.00 0.00 H new ATOM 294 N GLY A 403 3.017 9.772 -0.357 1.00 0.00 N ATOM 295 CA GLY A 403 4.066 10.763 -0.259 1.00 0.00 C ATOM 296 C GLY A 403 5.229 10.273 0.580 1.00 0.00 C ATOM 297 O GLY A 403 6.292 10.893 0.607 1.00 0.00 O ATOM 0 H GLY A 403 3.278 8.922 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.420 11.017 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.663 11.677 0.178 1.00 0.00 H new ATOM 301 N ARG A 404 5.021 9.159 1.269 1.00 0.00 N ATOM 302 CA ARG A 404 6.065 8.556 2.087 1.00 0.00 C ATOM 303 C ARG A 404 6.892 7.574 1.275 1.00 0.00 C ATOM 304 O ARG A 404 6.401 6.965 0.319 1.00 0.00 O ATOM 305 CB ARG A 404 5.468 7.827 3.290 1.00 0.00 C ATOM 306 CG ARG A 404 4.961 8.745 4.386 1.00 0.00 C ATOM 307 CD ARG A 404 4.374 7.943 5.535 1.00 0.00 C ATOM 308 NE ARG A 404 4.018 8.783 6.676 1.00 0.00 N ATOM 309 CZ ARG A 404 3.457 8.323 7.794 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.129 7.043 7.899 1.00 0.00 N ATOM 311 NH2 ARG A 404 3.206 9.148 8.801 1.00 0.00 N ATOM 0 H ARG A 404 4.135 8.653 1.278 1.00 0.00 H new ATOM 0 HA ARG A 404 6.706 9.364 2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.645 7.199 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.223 7.162 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.778 9.368 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.204 9.417 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.488 7.412 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.094 7.189 5.853 1.00 0.00 H new ATOM 0 HE ARG A 404 4.211 9.783 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.306 6.406 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.700 6.695 8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.442 10.137 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.777 8.794 9.656 1.00 0.00 H new ATOM 325 N LYS A 405 8.148 7.437 1.662 1.00 0.00 N ATOM 326 CA LYS A 405 9.047 6.485 1.050 1.00 0.00 C ATOM 327 C LYS A 405 9.576 5.524 2.108 1.00 0.00 C ATOM 328 O LYS A 405 9.737 5.901 3.273 1.00 0.00 O ATOM 329 CB LYS A 405 10.221 7.199 0.385 1.00 0.00 C ATOM 330 CG LYS A 405 9.829 8.245 -0.653 1.00 0.00 C ATOM 331 CD LYS A 405 9.494 9.580 -0.004 1.00 0.00 C ATOM 332 CE LYS A 405 9.109 10.628 -1.034 1.00 0.00 C ATOM 333 NZ LYS A 405 8.733 11.917 -0.394 1.00 0.00 N ATOM 0 H LYS A 405 8.570 7.986 2.411 1.00 0.00 H new ATOM 0 HA LYS A 405 8.496 5.932 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.820 7.681 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.857 6.454 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.646 8.379 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.969 7.890 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 405 8.674 9.445 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.352 9.931 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.943 10.790 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 405 8.274 10.261 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 8.691 12.664 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 7.802 11.821 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 9.443 12.169 0.323 1.00 0.00 H new ATOM 347 N PHE A 406 9.846 4.294 1.703 1.00 0.00 N ATOM 348 CA PHE A 406 10.357 3.277 2.617 1.00 0.00 C ATOM 349 C PHE A 406 11.386 2.399 1.918 1.00 0.00 C ATOM 350 O PHE A 406 11.406 2.292 0.686 1.00 0.00 O ATOM 351 CB PHE A 406 9.220 2.398 3.171 1.00 0.00 C ATOM 352 CG PHE A 406 8.216 3.143 4.011 1.00 0.00 C ATOM 353 CD1 PHE A 406 8.437 3.337 5.364 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.052 3.644 3.448 1.00 0.00 C ATOM 355 CE1 PHE A 406 7.517 4.016 6.142 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.130 4.324 4.219 1.00 0.00 C ATOM 357 CZ PHE A 406 6.363 4.510 5.568 1.00 0.00 C ATOM 0 H PHE A 406 9.720 3.971 0.744 1.00 0.00 H new ATOM 0 HA PHE A 406 10.831 3.795 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.700 1.927 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.654 1.597 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 406 9.339 2.953 5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.864 3.501 2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.701 4.159 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.228 4.710 3.768 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.643 5.041 6.173 1.00 0.00 H new ATOM 367 N VAL A 407 12.252 1.788 2.711 1.00 0.00 N ATOM 368 CA VAL A 407 13.246 0.865 2.193 1.00 0.00 C ATOM 369 C VAL A 407 12.702 -0.555 2.202 1.00 0.00 C ATOM 370 O VAL A 407 11.953 -0.940 3.096 1.00 0.00 O ATOM 371 CB VAL A 407 14.555 0.922 3.004 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.206 2.285 2.854 1.00 0.00 C ATOM 373 CG2 VAL A 407 14.305 0.612 4.473 1.00 0.00 C ATOM 0 H VAL A 407 12.285 1.917 3.722 1.00 0.00 H new ATOM 0 HA VAL A 407 13.468 1.166 1.169 1.00 0.00 H new ATOM 0 HB VAL A 407 15.231 0.162 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 407 16.130 2.313 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.430 2.468 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.527 3.055 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.246 0.660 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.608 1.342 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.881 -0.388 4.567 1.00 0.00 H new ATOM 383 N GLN A 408 13.067 -1.315 1.181 1.00 0.00 N ATOM 384 CA GLN A 408 12.577 -2.678 1.012 1.00 0.00 C ATOM 385 C GLN A 408 12.913 -3.543 2.219 1.00 0.00 C ATOM 386 O GLN A 408 13.993 -3.437 2.804 1.00 0.00 O ATOM 387 CB GLN A 408 13.131 -3.280 -0.283 1.00 0.00 C ATOM 388 CG GLN A 408 13.162 -4.797 -0.325 1.00 0.00 C ATOM 389 CD GLN A 408 14.155 -5.288 -1.354 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.729 -6.365 -1.233 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.359 -4.469 -2.370 1.00 0.00 N ATOM 0 H GLN A 408 13.708 -1.008 0.449 1.00 0.00 H new ATOM 0 HA GLN A 408 11.490 -2.647 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.530 -2.921 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.144 -2.907 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.428 -5.187 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.169 -5.179 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.854 -3.584 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.021 -4.721 -3.103 1.00 0.00 H new ATOM 400 N GLY A 409 11.957 -4.378 2.592 1.00 0.00 N ATOM 401 CA GLY A 409 12.081 -5.176 3.791 1.00 0.00 C ATOM 402 C GLY A 409 11.227 -4.584 4.879 1.00 0.00 C ATOM 403 O GLY A 409 11.422 -4.841 6.065 1.00 0.00 O ATOM 0 H GLY A 409 11.087 -4.518 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.774 -6.202 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.122 -5.212 4.111 1.00 0.00 H new ATOM 407 N LYS A 410 10.278 -3.767 4.452 1.00 0.00 N ATOM 408 CA LYS A 410 9.421 -3.030 5.345 1.00 0.00 C ATOM 409 C LYS A 410 7.965 -3.309 5.021 1.00 0.00 C ATOM 410 O LYS A 410 7.661 -3.923 4.002 1.00 0.00 O ATOM 411 CB LYS A 410 9.717 -1.543 5.193 1.00 0.00 C ATOM 412 CG LYS A 410 10.940 -1.087 5.971 1.00 0.00 C ATOM 413 CD LYS A 410 10.742 -1.243 7.465 1.00 0.00 C ATOM 414 CE LYS A 410 12.068 -1.175 8.208 1.00 0.00 C ATOM 415 NZ LYS A 410 12.928 -2.354 7.910 1.00 0.00 N ATOM 0 H LYS A 410 10.085 -3.600 3.464 1.00 0.00 H new ATOM 0 HA LYS A 410 9.609 -3.339 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.862 -1.315 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.850 -0.972 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.808 -1.666 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.151 -0.043 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.078 -0.460 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.255 -2.196 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.594 -0.262 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.882 -1.122 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.634 -2.469 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.338 -3.209 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.414 -2.209 7.002 1.00 0.00 H new ATOM 429 N SER A 411 7.071 -2.867 5.882 1.00 0.00 N ATOM 430 CA SER A 411 5.653 -3.032 5.641 1.00 0.00 C ATOM 431 C SER A 411 4.878 -1.876 6.237 1.00 0.00 C ATOM 432 O SER A 411 5.348 -1.191 7.150 1.00 0.00 O ATOM 433 CB SER A 411 5.160 -4.359 6.217 1.00 0.00 C ATOM 434 OG SER A 411 3.779 -4.561 5.965 1.00 0.00 O ATOM 0 H SER A 411 7.302 -2.391 6.754 1.00 0.00 H new ATOM 0 HA SER A 411 5.486 -3.043 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.733 -5.179 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.340 -4.378 7.292 1.00 0.00 H new ATOM 0 HG SER A 411 3.553 -4.207 5.080 1.00 0.00 H new ATOM 440 N ILE A 412 3.694 -1.669 5.708 1.00 0.00 N ATOM 441 CA ILE A 412 2.827 -0.596 6.158 1.00 0.00 C ATOM 442 C ILE A 412 1.369 -0.977 5.951 1.00 0.00 C ATOM 443 O ILE A 412 1.008 -1.612 4.954 1.00 0.00 O ATOM 444 CB ILE A 412 3.148 0.738 5.435 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.282 1.880 5.975 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.963 0.603 3.934 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.551 2.213 7.426 1.00 0.00 C ATOM 0 H ILE A 412 3.303 -2.236 4.956 1.00 0.00 H new ATOM 0 HA ILE A 412 3.007 -0.445 7.222 1.00 0.00 H new ATOM 0 HB ILE A 412 4.193 0.976 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.452 2.770 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.231 1.613 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.195 1.553 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.631 -0.170 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.930 0.329 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.901 3.030 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.354 1.336 8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.592 2.512 7.544 1.00 0.00 H new ATOM 459 N ASP A 413 0.552 -0.613 6.922 1.00 0.00 N ATOM 460 CA ASP A 413 -0.865 -0.923 6.901 1.00 0.00 C ATOM 461 C ASP A 413 -1.603 0.039 5.986 1.00 0.00 C ATOM 462 O ASP A 413 -1.401 1.256 6.039 1.00 0.00 O ATOM 463 CB ASP A 413 -1.419 -0.845 8.318 1.00 0.00 C ATOM 464 CG ASP A 413 -2.903 -1.142 8.405 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.279 -2.334 8.444 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.698 -0.184 8.486 1.00 0.00 O ATOM 0 H ASP A 413 0.852 -0.094 7.747 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.008 -1.933 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -0.878 -1.549 8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.232 0.151 8.718 1.00 0.00 H new ATOM 471 N VAL A 414 -2.455 -0.517 5.153 1.00 0.00 N ATOM 472 CA VAL A 414 -3.162 0.246 4.143 1.00 0.00 C ATOM 473 C VAL A 414 -4.644 -0.123 4.128 1.00 0.00 C ATOM 474 O VAL A 414 -5.007 -1.294 4.274 1.00 0.00 O ATOM 475 CB VAL A 414 -2.534 0.024 2.754 1.00 0.00 C ATOM 476 CG1 VAL A 414 -2.513 -1.448 2.418 1.00 0.00 C ATOM 477 CG2 VAL A 414 -3.268 0.816 1.684 1.00 0.00 C ATOM 0 H VAL A 414 -2.679 -1.512 5.155 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.075 1.304 4.392 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.507 0.387 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.067 -1.590 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -1.925 -1.983 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.532 -1.835 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.801 0.638 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.310 0.500 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.220 1.879 1.921 1.00 0.00 H new ATOM 487 N ALA A 415 -5.499 0.878 3.973 1.00 0.00 N ATOM 488 CA ALA A 415 -6.933 0.655 3.983 1.00 0.00 C ATOM 489 C ALA A 415 -7.641 1.547 2.973 1.00 0.00 C ATOM 490 O ALA A 415 -7.365 2.747 2.874 1.00 0.00 O ATOM 491 CB ALA A 415 -7.489 0.888 5.379 1.00 0.00 C ATOM 0 H ALA A 415 -5.222 1.851 3.839 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.115 -0.381 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.566 0.718 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.016 0.199 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.285 1.914 5.685 1.00 0.00 H new ATOM 497 N CYS A 416 -8.539 0.953 2.210 1.00 0.00 N ATOM 498 CA CYS A 416 -9.386 1.714 1.318 1.00 0.00 C ATOM 499 C CYS A 416 -10.769 1.830 1.935 1.00 0.00 C ATOM 500 O CYS A 416 -10.993 1.331 3.042 1.00 0.00 O ATOM 501 CB CYS A 416 -9.470 1.046 -0.048 1.00 0.00 C ATOM 502 SG CYS A 416 -9.285 2.206 -1.433 1.00 0.00 S ATOM 0 H CYS A 416 -8.699 -0.054 2.192 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.961 2.708 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.696 0.282 -0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.430 0.537 -0.136 1.00 0.00 H new ATOM 507 N HIS A 417 -11.701 2.471 1.245 1.00 0.00 N ATOM 508 CA HIS A 417 -13.037 2.623 1.805 1.00 0.00 C ATOM 509 C HIS A 417 -13.834 1.328 1.668 1.00 0.00 C ATOM 510 O HIS A 417 -13.493 0.487 0.838 1.00 0.00 O ATOM 511 CB HIS A 417 -13.763 3.855 1.231 1.00 0.00 C ATOM 512 CG HIS A 417 -14.370 3.777 -0.135 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.721 4.223 -1.264 1.00 0.00 N ATOM 514 CD2 HIS A 417 -15.627 3.472 -0.520 1.00 0.00 C ATOM 515 CE1 HIS A 417 -14.557 4.206 -2.285 1.00 0.00 C ATOM 516 NE2 HIS A 417 -15.722 3.755 -1.860 1.00 0.00 N ATOM 0 H HIS A 417 -11.565 2.884 0.322 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.941 2.816 2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -14.558 4.121 1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -13.052 4.682 1.227 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -12.746 4.520 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -16.412 3.079 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.327 4.509 -3.296 1.00 0.00 H new ATOM 525 N PRO A 418 -14.873 1.138 2.515 1.00 0.00 N ATOM 526 CA PRO A 418 -15.628 -0.119 2.635 1.00 0.00 C ATOM 527 C PRO A 418 -15.794 -0.899 1.333 1.00 0.00 C ATOM 528 O PRO A 418 -16.351 -0.400 0.348 1.00 0.00 O ATOM 529 CB PRO A 418 -16.972 0.376 3.143 1.00 0.00 C ATOM 530 CG PRO A 418 -16.611 1.480 4.064 1.00 0.00 C ATOM 531 CD PRO A 418 -15.424 2.158 3.436 1.00 0.00 C ATOM 0 HA PRO A 418 -15.115 -0.835 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.605 0.725 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.521 -0.412 3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.441 2.176 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.366 1.099 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.717 3.061 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.691 2.455 4.186 1.00 0.00 H new ATOM 539 N GLY A 419 -15.295 -2.127 1.342 1.00 0.00 N ATOM 540 CA GLY A 419 -15.401 -2.990 0.189 1.00 0.00 C ATOM 541 C GLY A 419 -14.113 -3.061 -0.605 1.00 0.00 C ATOM 542 O GLY A 419 -13.899 -4.008 -1.361 1.00 0.00 O ATOM 0 H GLY A 419 -14.813 -2.543 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.679 -3.993 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.202 -2.631 -0.457 1.00 0.00 H new ATOM 546 N TYR A 420 -13.244 -2.072 -0.432 1.00 0.00 N ATOM 547 CA TYR A 420 -12.031 -1.984 -1.226 1.00 0.00 C ATOM 548 C TYR A 420 -10.808 -2.279 -0.375 1.00 0.00 C ATOM 549 O TYR A 420 -10.740 -1.869 0.788 1.00 0.00 O ATOM 550 CB TYR A 420 -11.927 -0.596 -1.852 1.00 0.00 C ATOM 551 CG TYR A 420 -13.169 -0.216 -2.610 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.505 -0.878 -3.783 1.00 0.00 C ATOM 553 CD2 TYR A 420 -14.016 0.783 -2.148 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.650 -0.556 -4.478 1.00 0.00 C ATOM 555 CE2 TYR A 420 -15.161 1.104 -2.843 1.00 0.00 C ATOM 556 CZ TYR A 420 -15.476 0.437 -4.004 1.00 0.00 C ATOM 557 OH TYR A 420 -16.622 0.765 -4.691 1.00 0.00 O ATOM 0 H TYR A 420 -13.359 -1.323 0.250 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.075 -2.730 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.742 0.140 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.070 -0.567 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.858 -1.658 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.775 1.312 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.898 -1.080 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.814 1.882 -2.475 1.00 0.00 H new ATOM 0 HH TYR A 420 -17.091 1.485 -4.220 1.00 0.00 H new ATOM 567 N ALA A 421 -9.841 -2.967 -0.970 1.00 0.00 N ATOM 568 CA ALA A 421 -8.660 -3.423 -0.251 1.00 0.00 C ATOM 569 C ALA A 421 -7.682 -4.089 -1.206 1.00 0.00 C ATOM 570 O ALA A 421 -7.864 -4.039 -2.423 1.00 0.00 O ATOM 571 CB ALA A 421 -9.044 -4.387 0.866 1.00 0.00 C ATOM 0 H ALA A 421 -9.854 -3.223 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.178 -2.554 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.145 -4.714 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.710 -3.884 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.552 -5.253 0.441 1.00 0.00 H new ATOM 577 N LEU A 422 -6.660 -4.716 -0.645 1.00 0.00 N ATOM 578 CA LEU A 422 -5.634 -5.386 -1.428 1.00 0.00 C ATOM 579 C LEU A 422 -6.092 -6.763 -1.880 1.00 0.00 C ATOM 580 O LEU A 422 -7.050 -7.328 -1.339 1.00 0.00 O ATOM 581 CB LEU A 422 -4.363 -5.540 -0.597 1.00 0.00 C ATOM 582 CG LEU A 422 -3.659 -4.239 -0.223 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.473 -4.524 0.679 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.213 -3.498 -1.470 1.00 0.00 C ATOM 0 H LEU A 422 -6.519 -4.775 0.363 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.439 -4.774 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.612 -6.074 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.662 -6.166 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.363 -3.606 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -1.980 -3.587 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.818 -5.017 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.768 -5.173 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.713 -2.573 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.523 -4.123 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.082 -3.266 -2.085 1.00 0.00 H new ATOM 596 N PRO A 423 -5.406 -7.311 -2.890 1.00 0.00 N ATOM 597 CA PRO A 423 -5.595 -8.692 -3.323 1.00 0.00 C ATOM 598 C PRO A 423 -5.367 -9.656 -2.167 1.00 0.00 C ATOM 599 O PRO A 423 -4.572 -9.377 -1.270 1.00 0.00 O ATOM 600 CB PRO A 423 -4.530 -8.877 -4.408 1.00 0.00 C ATOM 601 CG PRO A 423 -4.251 -7.497 -4.892 1.00 0.00 C ATOM 602 CD PRO A 423 -4.394 -6.614 -3.697 1.00 0.00 C ATOM 0 HA PRO A 423 -6.604 -8.891 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.632 -9.347 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.891 -9.516 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.249 -7.425 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.949 -7.209 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.452 -6.507 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.719 -5.611 -3.973 1.00 0.00 H new ATOM 610 N LYS A 424 -6.102 -10.764 -2.171 1.00 0.00 N ATOM 611 CA LYS A 424 -6.044 -11.760 -1.092 1.00 0.00 C ATOM 612 C LYS A 424 -6.593 -11.176 0.209 1.00 0.00 C ATOM 613 O LYS A 424 -6.447 -11.776 1.276 1.00 0.00 O ATOM 614 CB LYS A 424 -4.611 -12.249 -0.843 1.00 0.00 C ATOM 615 CG LYS A 424 -3.917 -12.844 -2.054 1.00 0.00 C ATOM 616 CD LYS A 424 -2.508 -13.280 -1.693 1.00 0.00 C ATOM 617 CE LYS A 424 -1.786 -13.916 -2.866 1.00 0.00 C ATOM 618 NZ LYS A 424 -0.420 -14.351 -2.482 1.00 0.00 N ATOM 0 H LYS A 424 -6.755 -11.002 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.654 -12.605 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -4.016 -11.412 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.631 -12.997 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.485 -13.697 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.883 -12.110 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.941 -12.417 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.550 -13.989 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -2.356 -14.773 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.726 -13.204 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.051 -14.782 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 0.129 -13.528 -2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.481 -15.048 -1.712 1.00 0.00 H new ATOM 632 N ALA A 425 -7.213 -10.000 0.100 1.00 0.00 N ATOM 633 CA ALA A 425 -7.717 -9.260 1.251 1.00 0.00 C ATOM 634 C ALA A 425 -6.573 -8.867 2.183 1.00 0.00 C ATOM 635 O ALA A 425 -6.726 -8.860 3.406 1.00 0.00 O ATOM 636 CB ALA A 425 -8.784 -10.055 1.992 1.00 0.00 C ATOM 0 H ALA A 425 -7.379 -9.535 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.184 -8.345 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -9.141 -9.478 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.617 -10.261 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -8.359 -10.996 2.342 1.00 0.00 H new ATOM 642 N GLN A 426 -5.421 -8.564 1.593 1.00 0.00 N ATOM 643 CA GLN A 426 -4.274 -8.083 2.356 1.00 0.00 C ATOM 644 C GLN A 426 -4.573 -6.706 2.938 1.00 0.00 C ATOM 645 O GLN A 426 -5.373 -5.946 2.388 1.00 0.00 O ATOM 646 CB GLN A 426 -3.029 -8.007 1.469 1.00 0.00 C ATOM 647 CG GLN A 426 -2.467 -9.355 1.053 1.00 0.00 C ATOM 648 CD GLN A 426 -1.507 -9.238 -0.116 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.660 -8.366 -0.970 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.495 -10.092 -0.155 1.00 0.00 N ATOM 0 H GLN A 426 -5.257 -8.643 0.589 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.084 -8.785 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.272 -7.437 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.254 -7.453 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -1.953 -9.809 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.287 -10.021 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.399 -10.803 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.188 -10.039 -0.910 1.00 0.00 H new ATOM 659 N THR A 427 -3.937 -6.389 4.051 1.00 0.00 N ATOM 660 CA THR A 427 -4.135 -5.102 4.693 1.00 0.00 C ATOM 661 C THR A 427 -2.806 -4.384 4.858 1.00 0.00 C ATOM 662 O THR A 427 -2.748 -3.247 5.324 1.00 0.00 O ATOM 663 CB THR A 427 -4.811 -5.270 6.064 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.172 -6.326 6.800 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.292 -5.576 5.901 1.00 0.00 C ATOM 0 H THR A 427 -3.279 -7.005 4.529 1.00 0.00 H new ATOM 0 HA THR A 427 -4.787 -4.505 4.056 1.00 0.00 H new ATOM 0 HB THR A 427 -4.710 -4.335 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.607 -6.426 7.673 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.750 -5.691 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.776 -4.757 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.413 -6.499 5.334 1.00 0.00 H new ATOM 673 N THR A 428 -1.740 -5.060 4.470 1.00 0.00 N ATOM 674 CA THR A 428 -0.414 -4.521 4.575 1.00 0.00 C ATOM 675 C THR A 428 0.368 -4.744 3.288 1.00 0.00 C ATOM 676 O THR A 428 0.328 -5.829 2.706 1.00 0.00 O ATOM 677 CB THR A 428 0.329 -5.198 5.723 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.201 -6.517 5.934 1.00 0.00 O ATOM 679 CG2 THR A 428 0.236 -4.383 7.003 1.00 0.00 C ATOM 0 H THR A 428 -1.779 -5.999 4.074 1.00 0.00 H new ATOM 0 HA THR A 428 -0.499 -3.450 4.759 1.00 0.00 H new ATOM 0 HB THR A 428 1.382 -5.269 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.280 -6.949 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.776 -4.894 7.800 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.675 -3.399 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.810 -4.271 7.288 1.00 0.00 H new ATOM 687 N VAL A 429 1.078 -3.722 2.849 1.00 0.00 N ATOM 688 CA VAL A 429 1.938 -3.840 1.685 1.00 0.00 C ATOM 689 C VAL A 429 3.386 -3.925 2.112 1.00 0.00 C ATOM 690 O VAL A 429 3.846 -3.185 2.985 1.00 0.00 O ATOM 691 CB VAL A 429 1.755 -2.672 0.694 1.00 0.00 C ATOM 692 CG1 VAL A 429 0.455 -2.820 -0.078 1.00 0.00 C ATOM 693 CG2 VAL A 429 1.777 -1.345 1.425 1.00 0.00 C ATOM 0 H VAL A 429 1.077 -2.798 3.282 1.00 0.00 H new ATOM 0 HA VAL A 429 1.649 -4.755 1.168 1.00 0.00 H new ATOM 0 HB VAL A 429 2.584 -2.696 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.346 -1.986 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.468 -3.756 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.383 -2.825 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.647 -0.533 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 429 0.968 -1.318 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.732 -1.227 1.937 1.00 0.00 H new ATOM 703 N THR A 430 4.087 -4.854 1.504 1.00 0.00 N ATOM 704 CA THR A 430 5.473 -5.094 1.811 1.00 0.00 C ATOM 705 C THR A 430 6.365 -4.292 0.876 1.00 0.00 C ATOM 706 O THR A 430 6.321 -4.479 -0.341 1.00 0.00 O ATOM 707 CB THR A 430 5.782 -6.589 1.655 1.00 0.00 C ATOM 708 OG1 THR A 430 4.781 -7.364 2.335 1.00 0.00 O ATOM 709 CG2 THR A 430 7.157 -6.933 2.208 1.00 0.00 C ATOM 0 H THR A 430 3.708 -5.465 0.781 1.00 0.00 H new ATOM 0 HA THR A 430 5.666 -4.784 2.838 1.00 0.00 H new ATOM 0 HB THR A 430 5.775 -6.826 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.980 -8.318 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.344 -7.999 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.917 -6.365 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.196 -6.681 3.268 1.00 0.00 H new ATOM 717 N CYS A 431 7.149 -3.388 1.435 1.00 0.00 N ATOM 718 CA CYS A 431 8.098 -2.622 0.651 1.00 0.00 C ATOM 719 C CYS A 431 9.165 -3.540 0.126 1.00 0.00 C ATOM 720 O CYS A 431 9.892 -4.157 0.902 1.00 0.00 O ATOM 721 CB CYS A 431 8.766 -1.537 1.487 1.00 0.00 C ATOM 722 SG CYS A 431 10.001 -0.535 0.587 1.00 0.00 S ATOM 0 H CYS A 431 7.146 -3.167 2.431 1.00 0.00 H new ATOM 0 HA CYS A 431 7.552 -2.150 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.996 -0.873 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.251 -2.004 2.344 1.00 0.00 H new ATOM 727 N MET A 432 9.247 -3.660 -1.176 1.00 0.00 N ATOM 728 CA MET A 432 10.304 -4.427 -1.773 1.00 0.00 C ATOM 729 C MET A 432 10.951 -3.649 -2.887 1.00 0.00 C ATOM 730 O MET A 432 10.751 -2.451 -2.938 1.00 0.00 O ATOM 731 CB MET A 432 9.812 -5.808 -2.178 1.00 0.00 C ATOM 732 CG MET A 432 9.698 -6.674 -0.962 1.00 0.00 C ATOM 733 SD MET A 432 9.903 -8.441 -1.284 1.00 0.00 S ATOM 734 CE MET A 432 11.613 -8.503 -1.816 1.00 0.00 C ATOM 0 H MET A 432 8.596 -3.237 -1.838 1.00 0.00 H new ATOM 0 HA MET A 432 11.088 -4.605 -1.037 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.845 -5.730 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.502 -6.256 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.447 -6.360 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.722 -6.511 -0.505 1.00 0.00 H new ATOM 0 HE1 MET A 432 11.661 -8.850 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 432 12.052 -7.508 -1.747 1.00 0.00 H new ATOM 0 HE3 MET A 432 12.168 -9.189 -1.177 1.00 0.00 H new ATOM 744 N GLU A 433 11.757 -4.321 -3.706 1.00 0.00 N ATOM 745 CA GLU A 433 12.632 -3.711 -4.713 1.00 0.00 C ATOM 746 C GLU A 433 12.033 -2.499 -5.419 1.00 0.00 C ATOM 747 O GLU A 433 11.572 -2.580 -6.557 1.00 0.00 O ATOM 748 CB GLU A 433 13.029 -4.747 -5.741 1.00 0.00 C ATOM 749 CG GLU A 433 13.337 -6.114 -5.177 1.00 0.00 C ATOM 750 CD GLU A 433 12.176 -7.066 -5.337 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.229 -6.990 -4.541 1.00 0.00 O ATOM 752 OE2 GLU A 433 12.201 -7.883 -6.276 1.00 0.00 O ATOM 0 H GLU A 433 11.824 -5.339 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 433 13.502 -3.345 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.224 -4.843 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 433 13.905 -4.386 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.214 -6.524 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.588 -6.022 -4.120 1.00 0.00 H new ATOM 759 N ASN A 434 12.050 -1.391 -4.698 1.00 0.00 N ATOM 760 CA ASN A 434 11.610 -0.083 -5.197 1.00 0.00 C ATOM 761 C ASN A 434 10.122 -0.149 -5.496 1.00 0.00 C ATOM 762 O ASN A 434 9.578 0.620 -6.284 1.00 0.00 O ATOM 763 CB ASN A 434 12.417 0.316 -6.451 1.00 0.00 C ATOM 764 CG ASN A 434 12.221 1.765 -6.880 1.00 0.00 C ATOM 765 OD1 ASN A 434 11.419 2.072 -7.761 1.00 0.00 O ATOM 766 ND2 ASN A 434 12.960 2.667 -6.258 1.00 0.00 N ATOM 0 H ASN A 434 12.374 -1.366 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 434 11.787 0.682 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 434 13.476 0.145 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 434 12.134 -0.338 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 434 12.875 3.653 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 434 13.615 2.377 -5.532 1.00 0.00 H new ATOM 773 N GLY A 435 9.464 -1.079 -4.829 1.00 0.00 N ATOM 774 CA GLY A 435 8.076 -1.325 -5.113 1.00 0.00 C ATOM 775 C GLY A 435 7.440 -2.314 -4.166 1.00 0.00 C ATOM 776 O GLY A 435 7.900 -3.450 -4.029 1.00 0.00 O ATOM 0 H GLY A 435 9.867 -1.665 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.530 -0.383 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.981 -1.697 -6.133 1.00 0.00 H new ATOM 780 N TRP A 436 6.427 -1.830 -3.464 1.00 0.00 N ATOM 781 CA TRP A 436 5.486 -2.652 -2.725 1.00 0.00 C ATOM 782 C TRP A 436 5.177 -3.922 -3.494 1.00 0.00 C ATOM 783 O TRP A 436 4.566 -3.893 -4.560 1.00 0.00 O ATOM 784 CB TRP A 436 4.196 -1.863 -2.513 1.00 0.00 C ATOM 785 CG TRP A 436 4.440 -0.472 -2.017 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.301 0.685 -2.727 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.886 -0.094 -0.715 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.629 1.759 -1.942 1.00 0.00 N ATOM 789 CE2 TRP A 436 4.990 1.308 -0.700 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.204 -0.807 0.440 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.402 2.011 0.428 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.612 -0.108 1.559 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.707 1.286 1.546 1.00 0.00 C ATOM 0 H TRP A 436 6.233 -0.831 -3.392 1.00 0.00 H new ATOM 0 HA TRP A 436 5.925 -2.921 -1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.645 -1.817 -3.453 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.565 -2.393 -1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 436 3.980 0.745 -3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.608 2.736 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.133 -1.884 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.478 3.088 0.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.862 -0.648 2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.028 1.802 2.439 1.00 0.00 H new ATOM 804 N SER A 437 5.607 -5.024 -2.919 1.00 0.00 N ATOM 805 CA SER A 437 5.525 -6.328 -3.549 1.00 0.00 C ATOM 806 C SER A 437 4.108 -6.729 -3.953 1.00 0.00 C ATOM 807 O SER A 437 3.896 -7.136 -5.092 1.00 0.00 O ATOM 808 CB SER A 437 6.115 -7.367 -2.617 1.00 0.00 C ATOM 809 OG SER A 437 7.510 -7.349 -2.683 1.00 0.00 O ATOM 0 H SER A 437 6.029 -5.042 -1.990 1.00 0.00 H new ATOM 0 HA SER A 437 6.095 -6.270 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.791 -7.172 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.745 -8.357 -2.886 1.00 0.00 H new ATOM 0 HG SER A 437 7.875 -8.015 -2.064 1.00 0.00 H new ATOM 815 N PRO A 438 3.114 -6.648 -3.051 1.00 0.00 N ATOM 816 CA PRO A 438 1.765 -7.101 -3.372 1.00 0.00 C ATOM 817 C PRO A 438 0.957 -6.040 -4.116 1.00 0.00 C ATOM 818 O PRO A 438 -0.139 -6.303 -4.612 1.00 0.00 O ATOM 819 CB PRO A 438 1.207 -7.379 -1.990 1.00 0.00 C ATOM 820 CG PRO A 438 1.789 -6.304 -1.151 1.00 0.00 C ATOM 821 CD PRO A 438 3.196 -6.147 -1.653 1.00 0.00 C ATOM 0 HA PRO A 438 1.736 -7.958 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.118 -7.345 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.497 -8.367 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.227 -5.375 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.773 -6.574 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.524 -5.108 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.903 -6.726 -1.058 1.00 0.00 H new ATOM 829 N THR A 439 1.543 -4.849 -4.193 1.00 0.00 N ATOM 830 CA THR A 439 0.987 -3.718 -4.933 1.00 0.00 C ATOM 831 C THR A 439 -0.252 -3.139 -4.247 1.00 0.00 C ATOM 832 O THR A 439 -1.293 -3.789 -4.158 1.00 0.00 O ATOM 833 CB THR A 439 0.639 -4.104 -6.384 1.00 0.00 C ATOM 834 OG1 THR A 439 1.726 -4.838 -6.965 1.00 0.00 O ATOM 835 CG2 THR A 439 0.366 -2.863 -7.221 1.00 0.00 C ATOM 0 H THR A 439 2.431 -4.638 -3.737 1.00 0.00 H new ATOM 0 HA THR A 439 1.763 -2.953 -4.949 1.00 0.00 H new ATOM 0 HB THR A 439 -0.258 -4.723 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.500 -5.083 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.122 -3.159 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.472 -2.313 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.252 -2.227 -7.229 1.00 0.00 H new ATOM 843 N PRO A 440 -0.141 -1.902 -3.738 1.00 0.00 N ATOM 844 CA PRO A 440 -1.266 -1.196 -3.117 1.00 0.00 C ATOM 845 C PRO A 440 -2.367 -0.857 -4.122 1.00 0.00 C ATOM 846 O PRO A 440 -2.397 0.234 -4.692 1.00 0.00 O ATOM 847 CB PRO A 440 -0.634 0.082 -2.562 1.00 0.00 C ATOM 848 CG PRO A 440 0.611 0.274 -3.360 1.00 0.00 C ATOM 849 CD PRO A 440 1.095 -1.103 -3.711 1.00 0.00 C ATOM 0 HA PRO A 440 -1.753 -1.806 -2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.306 0.933 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.411 -0.017 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.412 0.858 -4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.362 0.817 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.604 -1.117 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.802 -1.481 -2.972 1.00 0.00 H new ATOM 857 N ARG A 441 -3.265 -1.807 -4.331 1.00 0.00 N ATOM 858 CA ARG A 441 -4.380 -1.639 -5.253 1.00 0.00 C ATOM 859 C ARG A 441 -5.690 -1.641 -4.484 1.00 0.00 C ATOM 860 O ARG A 441 -5.914 -2.520 -3.657 1.00 0.00 O ATOM 861 CB ARG A 441 -4.412 -2.781 -6.277 1.00 0.00 C ATOM 862 CG ARG A 441 -3.166 -2.897 -7.139 1.00 0.00 C ATOM 863 CD ARG A 441 -3.221 -4.126 -8.035 1.00 0.00 C ATOM 864 NE ARG A 441 -4.425 -4.156 -8.868 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.171 -5.246 -9.063 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.813 -6.411 -8.530 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.269 -5.173 -9.810 1.00 0.00 N ATOM 0 H ARG A 441 -3.243 -2.715 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.250 -0.690 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.559 -3.722 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.276 -2.643 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.062 -2.002 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.284 -2.950 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.339 -4.145 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.187 -5.024 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.711 -3.291 -9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.964 -6.475 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.388 -7.240 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.540 -4.285 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.840 -6.005 -9.960 1.00 0.00 H new ATOM 881 N CYS A 442 -6.548 -0.668 -4.738 1.00 0.00 N ATOM 882 CA CYS A 442 -7.879 -0.685 -4.153 1.00 0.00 C ATOM 883 C CYS A 442 -8.857 -1.401 -5.061 1.00 0.00 C ATOM 884 O CYS A 442 -9.567 -0.776 -5.852 1.00 0.00 O ATOM 885 CB CYS A 442 -8.395 0.718 -3.871 1.00 0.00 C ATOM 886 SG CYS A 442 -7.652 1.528 -2.427 1.00 0.00 S ATOM 0 H CYS A 442 -6.352 0.134 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.798 -1.220 -3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.217 1.338 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.474 0.671 -3.728 1.00 0.00 H new ATOM 891 N ILE A 443 -8.878 -2.713 -4.967 1.00 0.00 N ATOM 892 CA ILE A 443 -9.875 -3.498 -5.650 1.00 0.00 C ATOM 893 C ILE A 443 -10.966 -3.877 -4.677 1.00 0.00 C ATOM 894 O ILE A 443 -10.726 -3.948 -3.471 1.00 0.00 O ATOM 895 CB ILE A 443 -9.286 -4.773 -6.269 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.178 -5.357 -5.395 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.769 -4.489 -7.654 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.672 -6.700 -5.873 1.00 0.00 C ATOM 0 H ILE A 443 -8.211 -3.258 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.275 -2.889 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.083 -5.514 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.345 -4.655 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -8.548 -5.460 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.354 -5.402 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.586 -4.133 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.992 -3.726 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.887 -7.052 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.493 -7.417 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.271 -6.600 -6.882 1.00 0.00 H new ATOM 910 N ARG A 444 -12.163 -4.102 -5.180 1.00 0.00 N ATOM 911 CA ARG A 444 -13.249 -4.482 -4.317 1.00 0.00 C ATOM 912 C ARG A 444 -13.143 -5.957 -3.981 1.00 0.00 C ATOM 913 O ARG A 444 -13.267 -6.825 -4.847 1.00 0.00 O ATOM 914 CB ARG A 444 -14.608 -4.151 -4.932 1.00 0.00 C ATOM 915 CG ARG A 444 -15.750 -4.541 -4.025 1.00 0.00 C ATOM 916 CD ARG A 444 -17.097 -4.071 -4.541 1.00 0.00 C ATOM 917 NE ARG A 444 -18.174 -4.511 -3.658 1.00 0.00 N ATOM 918 CZ ARG A 444 -19.423 -4.062 -3.704 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.770 -3.121 -4.571 1.00 0.00 N ATOM 920 NH2 ARG A 444 -20.320 -4.549 -2.860 1.00 0.00 N ATOM 0 H ARG A 444 -12.401 -4.028 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.173 -3.903 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.660 -3.083 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.710 -4.668 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.766 -5.625 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.580 -4.122 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.103 -2.984 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.262 -4.460 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.950 -5.215 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -19.075 -2.735 -5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.732 -2.783 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.049 -5.262 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.282 -4.211 -2.887 1.00 0.00 H new ATOM 934 N VAL A 445 -12.891 -6.216 -2.714 1.00 0.00 N ATOM 935 CA VAL A 445 -12.640 -7.554 -2.231 1.00 0.00 C ATOM 936 C VAL A 445 -13.955 -8.252 -1.888 1.00 0.00 C ATOM 937 O VAL A 445 -14.077 -9.474 -2.007 1.00 0.00 O ATOM 938 CB VAL A 445 -11.700 -7.502 -1.004 1.00 0.00 C ATOM 939 CG1 VAL A 445 -12.386 -6.874 0.201 1.00 0.00 C ATOM 940 CG2 VAL A 445 -11.158 -8.882 -0.672 1.00 0.00 C ATOM 0 H VAL A 445 -12.855 -5.499 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.150 -8.131 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 445 -10.855 -6.865 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -11.695 -6.855 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -12.690 -5.856 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.265 -7.461 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -10.500 -8.816 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -11.986 -9.554 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -10.598 -9.268 -1.524 1.00 0.00 H new