USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=12 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+ -156:sc= 0 (180deg=-0.502) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.062 USER MOD Single : A 393 TYR OH : rot -136:sc= 1.23 USER MOD Single : A 396 ASN : amide:sc= 0.0238 K(o=0.024,f=-2.3!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.21) USER MOD Single : A 400 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.8!) USER MOD Single : A 401 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.16) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -9.74! C(o=-9.7!,f=-3.9!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 34:sc= 0.505 USER MOD Single : A 417 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-0.0085) 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= -0.974 K(o=-0.97,f=0) USER MOD Single : A 427 THR OG1 : rot 106:sc= 1.02 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= -2! C(o=-2!,f=-4.2!) USER MOD Single : A 437 SER OG : rot -128:sc= -4.74! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.314 0.553 -3.205 1.00 0.00 N ATOM 21 CA ARG A 387 15.248 1.395 -3.696 1.00 0.00 C ATOM 22 C ARG A 387 14.772 2.386 -2.665 1.00 0.00 C ATOM 23 O ARG A 387 15.470 2.723 -1.714 1.00 0.00 O ATOM 24 CB ARG A 387 14.086 0.481 -4.057 1.00 0.00 C ATOM 25 CG ARG A 387 14.028 -0.770 -3.219 1.00 0.00 C ATOM 26 CD ARG A 387 13.671 -0.526 -1.749 1.00 0.00 C ATOM 27 NE ARG A 387 14.709 0.182 -0.964 1.00 0.00 N ATOM 28 CZ ARG A 387 15.750 -0.385 -0.325 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.064 -1.654 -0.522 1.00 0.00 N ATOM 30 NH2 ARG A 387 16.521 0.355 0.460 1.00 0.00 N ATOM 0 HA ARG A 387 15.618 1.965 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.152 1.030 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.165 0.203 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 387 13.294 -1.450 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.994 -1.272 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 387 12.747 0.051 -1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 387 13.470 -1.487 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 387 14.627 1.197 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 387 15.514 -2.221 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 387 16.856 -2.066 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.324 1.349 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.311 -0.070 0.946 1.00 0.00 H new ATOM 44 N LYS A 388 13.551 2.799 -2.875 1.00 0.00 N ATOM 45 CA LYS A 388 12.779 3.541 -1.914 1.00 0.00 C ATOM 46 C LYS A 388 11.323 3.512 -2.337 1.00 0.00 C ATOM 47 O LYS A 388 10.880 4.373 -3.093 1.00 0.00 O ATOM 48 CB LYS A 388 13.243 4.978 -1.836 1.00 0.00 C ATOM 49 CG LYS A 388 13.409 5.470 -0.420 1.00 0.00 C ATOM 50 CD LYS A 388 14.629 4.856 0.245 1.00 0.00 C ATOM 51 CE LYS A 388 14.858 5.448 1.625 1.00 0.00 C ATOM 52 NZ LYS A 388 16.229 5.178 2.127 1.00 0.00 N ATOM 0 H LYS A 388 13.051 2.623 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 388 12.907 3.085 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.193 5.076 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.525 5.614 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 388 13.502 6.556 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 388 12.517 5.226 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.498 3.777 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.509 5.024 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 388 14.691 6.524 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 388 14.129 5.035 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.232 5.218 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.533 4.233 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.884 5.893 1.751 1.00 0.00 H new ATOM 66 N CYS A 389 10.607 2.493 -1.888 1.00 0.00 N ATOM 67 CA CYS A 389 9.197 2.324 -2.239 1.00 0.00 C ATOM 68 C CYS A 389 8.406 3.594 -1.973 1.00 0.00 C ATOM 69 O CYS A 389 8.233 3.999 -0.822 1.00 0.00 O ATOM 70 CB CYS A 389 8.573 1.180 -1.443 1.00 0.00 C ATOM 71 SG CYS A 389 9.443 -0.407 -1.592 1.00 0.00 S ATOM 0 H CYS A 389 10.977 1.765 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 389 9.158 2.094 -3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.539 1.463 -0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.542 1.046 -1.771 1.00 0.00 H new ATOM 76 N TYR A 390 7.948 4.225 -3.039 1.00 0.00 N ATOM 77 CA TYR A 390 7.117 5.404 -2.916 1.00 0.00 C ATOM 78 C TYR A 390 5.658 4.982 -2.846 1.00 0.00 C ATOM 79 O TYR A 390 5.142 4.354 -3.775 1.00 0.00 O ATOM 80 CB TYR A 390 7.344 6.343 -4.101 1.00 0.00 C ATOM 81 CG TYR A 390 6.652 7.683 -3.960 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.171 8.657 -3.121 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.492 7.976 -4.668 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.557 9.885 -2.984 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.869 9.204 -4.535 1.00 0.00 C ATOM 86 CZ TYR A 390 5.407 10.154 -3.691 1.00 0.00 C ATOM 87 OH TYR A 390 4.797 11.384 -3.559 1.00 0.00 O ATOM 0 H TYR A 390 8.139 3.939 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 390 7.383 5.939 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.415 6.508 -4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.992 5.857 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.073 8.451 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.071 7.235 -5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.976 10.631 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.967 9.418 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 390 3.997 11.415 -4.125 1.00 0.00 H new ATOM 97 N PHE A 391 5.005 5.295 -1.739 1.00 0.00 N ATOM 98 CA PHE A 391 3.619 4.905 -1.550 1.00 0.00 C ATOM 99 C PHE A 391 2.710 5.752 -2.435 1.00 0.00 C ATOM 100 O PHE A 391 2.720 6.983 -2.356 1.00 0.00 O ATOM 101 CB PHE A 391 3.216 5.035 -0.083 1.00 0.00 C ATOM 102 CG PHE A 391 1.951 4.296 0.250 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.996 2.970 0.646 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.720 4.922 0.156 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.837 2.284 0.944 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.443 4.242 0.454 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.385 2.921 0.849 1.00 0.00 C ATOM 0 H PHE A 391 5.411 5.816 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 391 3.510 3.859 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.025 4.659 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.088 6.090 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.949 2.467 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.669 5.955 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.885 1.250 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.397 4.743 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.293 2.386 1.083 1.00 0.00 H new ATOM 117 N PRO A 392 1.918 5.088 -3.289 1.00 0.00 N ATOM 118 CA PRO A 392 1.080 5.755 -4.283 1.00 0.00 C ATOM 119 C PRO A 392 -0.218 6.316 -3.715 1.00 0.00 C ATOM 120 O PRO A 392 -0.602 6.040 -2.574 1.00 0.00 O ATOM 121 CB PRO A 392 0.786 4.634 -5.278 1.00 0.00 C ATOM 122 CG PRO A 392 0.772 3.399 -4.451 1.00 0.00 C ATOM 123 CD PRO A 392 1.784 3.619 -3.357 1.00 0.00 C ATOM 0 HA PRO A 392 1.579 6.626 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.170 4.788 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.548 4.583 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.219 3.220 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.029 2.525 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.443 3.204 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.735 3.141 -3.591 1.00 0.00 H new ATOM 131 N TYR A 393 -0.878 7.113 -4.534 1.00 0.00 N ATOM 132 CA TYR A 393 -2.137 7.738 -4.178 1.00 0.00 C ATOM 133 C TYR A 393 -3.309 6.833 -4.531 1.00 0.00 C ATOM 134 O TYR A 393 -3.640 6.658 -5.704 1.00 0.00 O ATOM 135 CB TYR A 393 -2.256 9.084 -4.903 1.00 0.00 C ATOM 136 CG TYR A 393 -3.637 9.705 -4.863 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.154 10.243 -3.694 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.418 9.755 -6.010 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.413 10.814 -3.669 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.674 10.327 -5.995 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.168 10.855 -4.822 1.00 0.00 C ATOM 142 OH TYR A 393 -7.418 11.436 -4.805 1.00 0.00 O ATOM 0 H TYR A 393 -0.553 7.346 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.161 7.905 -3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.545 9.783 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.964 8.947 -5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.564 10.216 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.036 9.339 -6.930 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.803 11.226 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.266 10.361 -6.897 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.049 10.869 -5.296 1.00 0.00 H new ATOM 152 N LEU A 394 -3.926 6.244 -3.517 1.00 0.00 N ATOM 153 CA LEU A 394 -5.122 5.445 -3.730 1.00 0.00 C ATOM 154 C LEU A 394 -6.342 6.347 -3.735 1.00 0.00 C ATOM 155 O LEU A 394 -6.733 6.889 -2.702 1.00 0.00 O ATOM 156 CB LEU A 394 -5.295 4.350 -2.659 1.00 0.00 C ATOM 157 CG LEU A 394 -4.208 3.268 -2.612 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.916 2.736 -4.005 1.00 0.00 C ATOM 159 CD2 LEU A 394 -2.939 3.785 -1.949 1.00 0.00 C ATOM 0 H LEU A 394 -3.621 6.304 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.014 4.947 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.341 4.831 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.256 3.862 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.584 2.444 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.142 1.970 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.823 2.304 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.572 3.552 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.189 2.994 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.556 4.636 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.162 4.095 -0.928 1.00 0.00 H new ATOM 171 N GLU A 395 -6.915 6.529 -4.914 1.00 0.00 N ATOM 172 CA GLU A 395 -8.137 7.303 -5.068 1.00 0.00 C ATOM 173 C GLU A 395 -9.278 6.627 -4.312 1.00 0.00 C ATOM 174 O GLU A 395 -10.078 7.275 -3.643 1.00 0.00 O ATOM 175 CB GLU A 395 -8.473 7.428 -6.557 1.00 0.00 C ATOM 176 CG GLU A 395 -9.818 8.074 -6.841 1.00 0.00 C ATOM 177 CD GLU A 395 -9.958 9.447 -6.209 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.148 10.346 -6.532 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.886 9.638 -5.398 1.00 0.00 O ATOM 0 H GLU A 395 -6.549 6.147 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.995 8.301 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.692 8.011 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.458 6.435 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.954 8.160 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.612 7.426 -6.470 1.00 0.00 H new ATOM 186 N ASN A 396 -9.308 5.310 -4.398 1.00 0.00 N ATOM 187 CA ASN A 396 -10.333 4.507 -3.749 1.00 0.00 C ATOM 188 C ASN A 396 -9.800 3.902 -2.455 1.00 0.00 C ATOM 189 O ASN A 396 -10.357 2.947 -1.911 1.00 0.00 O ATOM 190 CB ASN A 396 -10.825 3.424 -4.711 1.00 0.00 C ATOM 191 CG ASN A 396 -9.716 2.908 -5.611 1.00 0.00 C ATOM 192 OD1 ASN A 396 -8.582 2.709 -5.178 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.025 2.755 -6.886 1.00 0.00 N ATOM 0 H ASN A 396 -8.622 4.764 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.178 5.145 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.242 2.595 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.632 3.825 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.311 2.461 -7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.978 2.930 -7.204 1.00 0.00 H new ATOM 200 N GLY A 397 -8.733 4.500 -1.952 1.00 0.00 N ATOM 201 CA GLY A 397 -8.160 4.088 -0.692 1.00 0.00 C ATOM 202 C GLY A 397 -7.896 5.279 0.201 1.00 0.00 C ATOM 203 O GLY A 397 -8.070 6.421 -0.221 1.00 0.00 O ATOM 0 H GLY A 397 -8.248 5.276 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.836 3.396 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.229 3.550 -0.871 1.00 0.00 H new ATOM 207 N TYR A 398 -7.506 5.032 1.435 1.00 0.00 N ATOM 208 CA TYR A 398 -7.111 6.103 2.321 1.00 0.00 C ATOM 209 C TYR A 398 -5.631 6.378 2.136 1.00 0.00 C ATOM 210 O TYR A 398 -4.784 5.608 2.587 1.00 0.00 O ATOM 211 CB TYR A 398 -7.416 5.752 3.776 1.00 0.00 C ATOM 212 CG TYR A 398 -8.894 5.735 4.094 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.602 6.922 4.226 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.583 4.540 4.256 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.953 6.919 4.509 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.934 4.528 4.542 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.615 5.720 4.666 1.00 0.00 C ATOM 218 OH TYR A 398 -12.962 5.716 4.940 1.00 0.00 O ATOM 0 H TYR A 398 -7.455 4.099 1.845 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.681 6.999 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.992 4.774 4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.920 6.472 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.087 7.864 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.053 3.604 4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.489 7.852 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.454 3.590 4.668 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.277 4.791 5.020 1.00 0.00 H new ATOM 228 N ASN A 399 -5.332 7.470 1.448 1.00 0.00 N ATOM 229 CA ASN A 399 -3.952 7.847 1.151 1.00 0.00 C ATOM 230 C ASN A 399 -3.249 8.402 2.386 1.00 0.00 C ATOM 231 O ASN A 399 -2.702 9.504 2.371 1.00 0.00 O ATOM 232 CB ASN A 399 -3.901 8.854 -0.006 1.00 0.00 C ATOM 233 CG ASN A 399 -4.946 9.951 0.100 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.723 10.983 0.728 1.00 0.00 O ATOM 235 ND2 ASN A 399 -6.092 9.737 -0.531 1.00 0.00 N ATOM 0 H ASN A 399 -6.030 8.117 1.081 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.420 6.946 0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.911 9.308 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -4.039 8.322 -0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.828 10.443 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.238 8.866 -1.042 1.00 0.00 H new ATOM 242 N GLN A 400 -3.256 7.607 3.446 1.00 0.00 N ATOM 243 CA GLN A 400 -2.597 7.952 4.695 1.00 0.00 C ATOM 244 C GLN A 400 -1.097 8.041 4.477 1.00 0.00 C ATOM 245 O GLN A 400 -0.428 8.961 4.942 1.00 0.00 O ATOM 246 CB GLN A 400 -2.871 6.872 5.742 1.00 0.00 C ATOM 247 CG GLN A 400 -4.336 6.500 5.907 1.00 0.00 C ATOM 248 CD GLN A 400 -4.503 5.147 6.571 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.656 4.267 6.426 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.594 4.965 7.300 1.00 0.00 N ATOM 0 H GLN A 400 -3.722 6.700 3.463 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.982 8.912 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.311 5.976 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.487 7.212 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.839 7.262 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.820 6.488 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.274 5.719 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.754 4.071 7.764 1.00 0.00 H new ATOM 259 N ASN A 401 -0.590 7.077 3.729 1.00 0.00 N ATOM 260 CA ASN A 401 0.842 6.890 3.584 1.00 0.00 C ATOM 261 C ASN A 401 1.344 7.445 2.257 1.00 0.00 C ATOM 262 O ASN A 401 2.530 7.353 1.955 1.00 0.00 O ATOM 263 CB ASN A 401 1.180 5.400 3.687 1.00 0.00 C ATOM 264 CG ASN A 401 0.616 4.758 4.943 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.566 5.375 6.008 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.167 3.517 4.818 1.00 0.00 N ATOM 0 H ASN A 401 -1.155 6.406 3.208 1.00 0.00 H new ATOM 0 HA ASN A 401 1.339 7.436 4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.789 4.881 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.263 5.275 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.239 3.038 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.227 3.041 3.918 1.00 0.00 H new ATOM 273 N TYR A 402 0.441 8.014 1.463 1.00 0.00 N ATOM 274 CA TYR A 402 0.821 8.577 0.170 1.00 0.00 C ATOM 275 C TYR A 402 1.824 9.708 0.358 1.00 0.00 C ATOM 276 O TYR A 402 1.577 10.663 1.101 1.00 0.00 O ATOM 277 CB TYR A 402 -0.411 9.065 -0.596 1.00 0.00 C ATOM 278 CG TYR A 402 -0.090 9.956 -1.778 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.677 9.490 -2.838 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.549 11.264 -1.827 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.975 10.302 -3.912 1.00 0.00 C ATOM 282 CE2 TYR A 402 -0.254 12.082 -2.899 1.00 0.00 C ATOM 283 CZ TYR A 402 0.508 11.595 -3.938 1.00 0.00 C ATOM 284 OH TYR A 402 0.811 12.408 -5.003 1.00 0.00 O ATOM 0 H TYR A 402 -0.550 8.097 1.689 1.00 0.00 H new ATOM 0 HA TYR A 402 1.293 7.792 -0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.973 8.200 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -1.060 9.609 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 402 1.046 8.475 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -1.147 11.648 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.572 9.924 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -0.619 13.098 -2.923 1.00 0.00 H new ATOM 0 HH TYR A 402 0.404 13.289 -4.868 1.00 0.00 H new ATOM 294 N GLY A 403 2.964 9.572 -0.298 1.00 0.00 N ATOM 295 CA GLY A 403 4.015 10.558 -0.176 1.00 0.00 C ATOM 296 C GLY A 403 5.177 10.039 0.643 1.00 0.00 C ATOM 297 O GLY A 403 6.231 10.672 0.715 1.00 0.00 O ATOM 0 H GLY A 403 3.181 8.791 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.366 10.840 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.616 11.460 0.289 1.00 0.00 H new ATOM 301 N ARG A 404 4.984 8.884 1.266 1.00 0.00 N ATOM 302 CA ARG A 404 6.024 8.273 2.082 1.00 0.00 C ATOM 303 C ARG A 404 6.902 7.355 1.252 1.00 0.00 C ATOM 304 O ARG A 404 6.446 6.729 0.293 1.00 0.00 O ATOM 305 CB ARG A 404 5.420 7.478 3.236 1.00 0.00 C ATOM 306 CG ARG A 404 4.720 8.334 4.275 1.00 0.00 C ATOM 307 CD ARG A 404 4.172 7.481 5.405 1.00 0.00 C ATOM 308 NE ARG A 404 3.463 8.276 6.402 1.00 0.00 N ATOM 309 CZ ARG A 404 3.012 7.798 7.562 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.211 6.527 7.891 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.369 8.597 8.397 1.00 0.00 N ATOM 0 H ARG A 404 4.115 8.351 1.222 1.00 0.00 H new ATOM 0 HA ARG A 404 6.633 9.083 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.708 6.758 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.210 6.907 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.418 9.069 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.907 8.889 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.497 6.729 4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.992 6.947 5.885 1.00 0.00 H new ATOM 0 HE ARG A 404 3.302 9.262 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.712 5.908 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.862 6.170 8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.219 9.576 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.023 8.234 9.285 1.00 0.00 H new ATOM 325 N LYS A 405 8.164 7.294 1.632 1.00 0.00 N ATOM 326 CA LYS A 405 9.134 6.431 1.001 1.00 0.00 C ATOM 327 C LYS A 405 9.729 5.486 2.031 1.00 0.00 C ATOM 328 O LYS A 405 10.068 5.899 3.142 1.00 0.00 O ATOM 329 CB LYS A 405 10.219 7.283 0.365 1.00 0.00 C ATOM 330 CG LYS A 405 9.705 8.123 -0.789 1.00 0.00 C ATOM 331 CD LYS A 405 10.417 9.460 -0.883 1.00 0.00 C ATOM 332 CE LYS A 405 11.874 9.308 -1.277 1.00 0.00 C ATOM 333 NZ LYS A 405 12.554 10.625 -1.351 1.00 0.00 N ATOM 0 H LYS A 405 8.545 7.851 2.397 1.00 0.00 H new ATOM 0 HA LYS A 405 8.652 5.834 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.650 7.938 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.021 6.636 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.837 7.576 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.635 8.290 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 405 9.909 10.090 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.354 9.971 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.384 8.673 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.941 8.807 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.548 10.487 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.081 11.221 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.510 11.091 -0.422 1.00 0.00 H new ATOM 347 N PHE A 406 9.844 4.223 1.667 1.00 0.00 N ATOM 348 CA PHE A 406 10.311 3.203 2.593 1.00 0.00 C ATOM 349 C PHE A 406 11.438 2.379 1.987 1.00 0.00 C ATOM 350 O PHE A 406 11.597 2.314 0.765 1.00 0.00 O ATOM 351 CB PHE A 406 9.157 2.276 2.989 1.00 0.00 C ATOM 352 CG PHE A 406 8.074 2.946 3.790 1.00 0.00 C ATOM 353 CD1 PHE A 406 8.190 3.071 5.165 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.935 3.438 3.171 1.00 0.00 C ATOM 355 CE1 PHE A 406 7.193 3.677 5.907 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.936 4.046 3.908 1.00 0.00 C ATOM 357 CZ PHE A 406 6.066 4.164 5.277 1.00 0.00 C ATOM 0 H PHE A 406 9.620 3.876 0.734 1.00 0.00 H new ATOM 0 HA PHE A 406 10.692 3.711 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.717 1.856 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.557 1.442 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 406 9.070 2.691 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.827 3.345 2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.296 3.769 6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.055 4.428 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.286 4.637 5.855 1.00 0.00 H new ATOM 367 N VAL A 407 12.221 1.755 2.854 1.00 0.00 N ATOM 368 CA VAL A 407 13.284 0.862 2.426 1.00 0.00 C ATOM 369 C VAL A 407 12.740 -0.549 2.251 1.00 0.00 C ATOM 370 O VAL A 407 11.832 -0.960 2.966 1.00 0.00 O ATOM 371 CB VAL A 407 14.447 0.840 3.441 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.080 2.215 3.551 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.970 0.366 4.808 1.00 0.00 C ATOM 0 H VAL A 407 12.138 1.853 3.866 1.00 0.00 H new ATOM 0 HA VAL A 407 13.665 1.233 1.475 1.00 0.00 H new ATOM 0 HB VAL A 407 15.197 0.136 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.898 2.182 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.465 2.517 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.332 2.934 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.809 0.360 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.197 1.040 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.563 -0.641 4.722 1.00 0.00 H new ATOM 383 N GLN A 408 13.255 -1.268 1.263 1.00 0.00 N ATOM 384 CA GLN A 408 12.851 -2.657 1.035 1.00 0.00 C ATOM 385 C GLN A 408 12.980 -3.491 2.303 1.00 0.00 C ATOM 386 O GLN A 408 13.949 -3.358 3.054 1.00 0.00 O ATOM 387 CB GLN A 408 13.697 -3.294 -0.052 1.00 0.00 C ATOM 388 CG GLN A 408 12.899 -3.901 -1.182 1.00 0.00 C ATOM 389 CD GLN A 408 13.770 -4.625 -2.177 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.062 -5.804 -2.025 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.162 -3.910 -3.212 1.00 0.00 N ATOM 0 H GLN A 408 13.952 -0.918 0.606 1.00 0.00 H new ATOM 0 HA GLN A 408 11.806 -2.636 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.370 -2.541 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.320 -4.069 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.165 -4.595 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.343 -3.115 -1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.889 -2.930 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.739 -4.336 -3.937 1.00 0.00 H new ATOM 400 N GLY A 409 12.005 -4.356 2.519 1.00 0.00 N ATOM 401 CA GLY A 409 11.994 -5.184 3.709 1.00 0.00 C ATOM 402 C GLY A 409 11.168 -4.542 4.794 1.00 0.00 C ATOM 403 O GLY A 409 11.176 -4.971 5.951 1.00 0.00 O ATOM 0 H GLY A 409 11.216 -4.502 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.590 -6.168 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.014 -5.336 4.062 1.00 0.00 H new ATOM 407 N LYS A 410 10.448 -3.508 4.404 1.00 0.00 N ATOM 408 CA LYS A 410 9.632 -2.741 5.313 1.00 0.00 C ATOM 409 C LYS A 410 8.175 -2.993 4.991 1.00 0.00 C ATOM 410 O LYS A 410 7.846 -3.346 3.866 1.00 0.00 O ATOM 411 CB LYS A 410 9.964 -1.258 5.153 1.00 0.00 C ATOM 412 CG LYS A 410 9.230 -0.340 6.099 1.00 0.00 C ATOM 413 CD LYS A 410 9.569 -0.643 7.548 1.00 0.00 C ATOM 414 CE LYS A 410 9.001 0.406 8.488 1.00 0.00 C ATOM 415 NZ LYS A 410 9.290 0.089 9.911 1.00 0.00 N ATOM 0 H LYS A 410 10.416 -3.178 3.440 1.00 0.00 H new ATOM 0 HA LYS A 410 9.828 -3.037 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 410 11.036 -1.123 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.739 -0.958 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 410 9.486 0.695 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 410 8.156 -0.443 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.176 -1.624 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.652 -0.690 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 410 9.421 1.381 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 410 7.923 0.477 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 8.886 0.829 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 8.868 -0.830 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.319 0.046 10.055 1.00 0.00 H new ATOM 429 N SER A 411 7.308 -2.826 5.959 1.00 0.00 N ATOM 430 CA SER A 411 5.897 -3.023 5.728 1.00 0.00 C ATOM 431 C SER A 411 5.102 -1.866 6.297 1.00 0.00 C ATOM 432 O SER A 411 5.584 -1.125 7.156 1.00 0.00 O ATOM 433 CB SER A 411 5.440 -4.351 6.329 1.00 0.00 C ATOM 434 OG SER A 411 4.082 -4.628 6.027 1.00 0.00 O ATOM 0 H SER A 411 7.553 -2.555 6.911 1.00 0.00 H new ATOM 0 HA SER A 411 5.719 -3.059 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.068 -5.157 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.574 -4.325 7.410 1.00 0.00 H new ATOM 0 HG SER A 411 3.869 -4.284 5.134 1.00 0.00 H new ATOM 440 N ILE A 412 3.898 -1.713 5.792 1.00 0.00 N ATOM 441 CA ILE A 412 3.015 -0.638 6.198 1.00 0.00 C ATOM 442 C ILE A 412 1.572 -1.042 5.941 1.00 0.00 C ATOM 443 O ILE A 412 1.269 -1.708 4.948 1.00 0.00 O ATOM 444 CB ILE A 412 3.351 0.675 5.447 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.548 1.849 6.009 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.110 0.532 3.951 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.936 2.230 7.421 1.00 0.00 C ATOM 0 H ILE A 412 3.501 -2.332 5.085 1.00 0.00 H new ATOM 0 HA ILE A 412 3.155 -0.455 7.263 1.00 0.00 H new ATOM 0 HB ILE A 412 4.411 0.879 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.682 2.714 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.488 1.596 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.355 1.470 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.740 -0.265 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.063 0.289 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.325 3.069 7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.776 1.380 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.988 2.515 7.445 1.00 0.00 H new ATOM 459 N ASP A 413 0.698 -0.668 6.853 1.00 0.00 N ATOM 460 CA ASP A 413 -0.704 -1.043 6.774 1.00 0.00 C ATOM 461 C ASP A 413 -1.507 0.017 6.031 1.00 0.00 C ATOM 462 O ASP A 413 -1.282 1.220 6.200 1.00 0.00 O ATOM 463 CB ASP A 413 -1.250 -1.247 8.181 1.00 0.00 C ATOM 464 CG ASP A 413 -2.712 -1.643 8.215 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.015 -2.841 8.021 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.561 -0.771 8.493 1.00 0.00 O ATOM 0 H ASP A 413 0.935 -0.099 7.666 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.794 -1.975 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -0.662 -2.017 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.119 -0.326 8.749 1.00 0.00 H new ATOM 471 N VAL A 414 -2.434 -0.439 5.206 1.00 0.00 N ATOM 472 CA VAL A 414 -3.231 0.438 4.360 1.00 0.00 C ATOM 473 C VAL A 414 -4.717 0.178 4.581 1.00 0.00 C ATOM 474 O VAL A 414 -5.126 -0.955 4.842 1.00 0.00 O ATOM 475 CB VAL A 414 -2.912 0.219 2.861 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.577 1.282 1.998 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.412 0.193 2.619 1.00 0.00 C ATOM 0 H VAL A 414 -2.657 -1.429 5.102 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.983 1.464 4.632 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.318 -0.751 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.336 1.103 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.658 1.238 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.215 2.267 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.217 0.038 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.976 1.142 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.965 -0.619 3.192 1.00 0.00 H new ATOM 487 N ALA A 415 -5.518 1.227 4.484 1.00 0.00 N ATOM 488 CA ALA A 415 -6.960 1.097 4.553 1.00 0.00 C ATOM 489 C ALA A 415 -7.593 1.670 3.291 1.00 0.00 C ATOM 490 O ALA A 415 -7.246 2.767 2.861 1.00 0.00 O ATOM 491 CB ALA A 415 -7.499 1.801 5.790 1.00 0.00 C ATOM 0 H ALA A 415 -5.188 2.184 4.356 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.216 0.040 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.583 1.694 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.060 1.355 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.240 2.859 5.748 1.00 0.00 H new ATOM 497 N CYS A 416 -8.496 0.921 2.683 1.00 0.00 N ATOM 498 CA CYS A 416 -9.186 1.385 1.491 1.00 0.00 C ATOM 499 C CYS A 416 -10.604 1.814 1.851 1.00 0.00 C ATOM 500 O CYS A 416 -11.052 1.585 2.976 1.00 0.00 O ATOM 501 CB CYS A 416 -9.213 0.277 0.438 1.00 0.00 C ATOM 502 SG CYS A 416 -7.568 -0.405 0.038 1.00 0.00 S ATOM 0 H CYS A 416 -8.769 -0.011 2.995 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.654 2.242 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.854 -0.531 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.665 0.667 -0.474 1.00 0.00 H new ATOM 507 N HIS A 417 -11.310 2.444 0.917 1.00 0.00 N ATOM 508 CA HIS A 417 -12.692 2.843 1.174 1.00 0.00 C ATOM 509 C HIS A 417 -13.592 1.615 1.175 1.00 0.00 C ATOM 510 O HIS A 417 -13.247 0.589 0.588 1.00 0.00 O ATOM 511 CB HIS A 417 -13.199 3.856 0.139 1.00 0.00 C ATOM 512 CG HIS A 417 -12.556 5.209 0.226 1.00 0.00 C ATOM 513 ND1 HIS A 417 -12.944 6.174 1.129 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.555 5.761 -0.497 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.208 7.256 0.957 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.358 7.035 -0.025 1.00 0.00 N ATOM 0 H HIS A 417 -10.957 2.686 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.720 3.325 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.031 3.451 -0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.276 3.971 0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.010 5.286 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.289 8.170 1.526 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.669 7.700 -0.376 1.00 0.00 H new ATOM 525 N PRO A 418 -14.749 1.712 1.845 1.00 0.00 N ATOM 526 CA PRO A 418 -15.711 0.612 1.977 1.00 0.00 C ATOM 527 C PRO A 418 -16.088 0.004 0.636 1.00 0.00 C ATOM 528 O PRO A 418 -16.767 0.633 -0.180 1.00 0.00 O ATOM 529 CB PRO A 418 -16.928 1.285 2.613 1.00 0.00 C ATOM 530 CG PRO A 418 -16.360 2.429 3.363 1.00 0.00 C ATOM 531 CD PRO A 418 -15.219 2.923 2.530 1.00 0.00 C ATOM 0 HA PRO A 418 -15.305 -0.215 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.639 1.618 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.461 0.601 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.105 3.210 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.020 2.121 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.540 3.687 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.436 3.367 3.144 1.00 0.00 H new ATOM 539 N GLY A 419 -15.645 -1.220 0.417 1.00 0.00 N ATOM 540 CA GLY A 419 -15.895 -1.886 -0.838 1.00 0.00 C ATOM 541 C GLY A 419 -14.610 -2.200 -1.573 1.00 0.00 C ATOM 542 O GLY A 419 -14.627 -2.863 -2.611 1.00 0.00 O ATOM 0 H GLY A 419 -15.112 -1.768 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.445 -2.809 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.527 -1.256 -1.464 1.00 0.00 H new ATOM 546 N TYR A 420 -13.496 -1.720 -1.035 1.00 0.00 N ATOM 547 CA TYR A 420 -12.189 -1.966 -1.628 1.00 0.00 C ATOM 548 C TYR A 420 -11.260 -2.638 -0.627 1.00 0.00 C ATOM 549 O TYR A 420 -11.327 -2.371 0.572 1.00 0.00 O ATOM 550 CB TYR A 420 -11.567 -0.659 -2.129 1.00 0.00 C ATOM 551 CG TYR A 420 -12.324 -0.035 -3.284 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.370 0.853 -3.065 1.00 0.00 C ATOM 553 CD2 TYR A 420 -11.991 -0.343 -4.595 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.059 1.415 -4.122 1.00 0.00 C ATOM 555 CE2 TYR A 420 -12.674 0.216 -5.657 1.00 0.00 C ATOM 556 CZ TYR A 420 -13.708 1.094 -5.415 1.00 0.00 C ATOM 557 OH TYR A 420 -14.392 1.655 -6.472 1.00 0.00 O ATOM 0 H TYR A 420 -13.472 -1.156 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.326 -2.635 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.525 0.053 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.539 -0.850 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.648 1.108 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.183 -1.033 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.870 2.104 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -12.399 -0.033 -6.671 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.018 1.325 -7.316 1.00 0.00 H new ATOM 567 N ALA A 421 -10.401 -3.510 -1.134 1.00 0.00 N ATOM 568 CA ALA A 421 -9.457 -4.245 -0.306 1.00 0.00 C ATOM 569 C ALA A 421 -8.194 -4.550 -1.103 1.00 0.00 C ATOM 570 O ALA A 421 -8.216 -4.570 -2.333 1.00 0.00 O ATOM 571 CB ALA A 421 -10.091 -5.534 0.199 1.00 0.00 C ATOM 0 H ALA A 421 -10.339 -3.727 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.189 -3.632 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.374 -6.074 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.975 -5.297 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.379 -6.155 -0.650 1.00 0.00 H new ATOM 577 N LEU A 422 -7.095 -4.779 -0.404 1.00 0.00 N ATOM 578 CA LEU A 422 -5.827 -5.074 -1.055 1.00 0.00 C ATOM 579 C LEU A 422 -5.774 -6.515 -1.525 1.00 0.00 C ATOM 580 O LEU A 422 -6.485 -7.377 -1.002 1.00 0.00 O ATOM 581 CB LEU A 422 -4.663 -4.804 -0.107 1.00 0.00 C ATOM 582 CG LEU A 422 -4.328 -3.328 0.107 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.188 -3.180 1.101 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.973 -2.666 -1.214 1.00 0.00 C ATOM 0 H LEU A 422 -7.054 -4.767 0.615 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.743 -4.421 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.891 -5.252 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.777 -5.309 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.208 -2.830 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.963 -2.123 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.478 -3.619 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.304 -3.692 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.737 -1.616 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.108 -3.166 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.819 -2.741 -1.898 1.00 0.00 H new ATOM 596 N PRO A 423 -4.930 -6.781 -2.530 1.00 0.00 N ATOM 597 CA PRO A 423 -4.719 -8.125 -3.058 1.00 0.00 C ATOM 598 C PRO A 423 -4.361 -9.120 -1.961 1.00 0.00 C ATOM 599 O PRO A 423 -3.688 -8.771 -0.988 1.00 0.00 O ATOM 600 CB PRO A 423 -3.553 -7.952 -4.030 1.00 0.00 C ATOM 601 CG PRO A 423 -3.600 -6.519 -4.426 1.00 0.00 C ATOM 602 CD PRO A 423 -4.114 -5.780 -3.231 1.00 0.00 C ATOM 0 HA PRO A 423 -5.617 -8.526 -3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.603 -8.201 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.659 -8.606 -4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.611 -6.160 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.253 -6.373 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.300 -5.416 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.706 -4.912 -3.521 1.00 0.00 H new ATOM 610 N LYS A 424 -4.844 -10.345 -2.126 1.00 0.00 N ATOM 611 CA LYS A 424 -4.624 -11.435 -1.169 1.00 0.00 C ATOM 612 C LYS A 424 -5.434 -11.199 0.103 1.00 0.00 C ATOM 613 O LYS A 424 -5.195 -11.842 1.128 1.00 0.00 O ATOM 614 CB LYS A 424 -3.135 -11.592 -0.818 1.00 0.00 C ATOM 615 CG LYS A 424 -2.235 -11.846 -2.016 1.00 0.00 C ATOM 616 CD LYS A 424 -2.597 -13.139 -2.721 1.00 0.00 C ATOM 617 CE LYS A 424 -1.628 -13.445 -3.850 1.00 0.00 C ATOM 618 NZ LYS A 424 -1.965 -14.713 -4.551 1.00 0.00 N ATOM 0 H LYS A 424 -5.405 -10.618 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.958 -12.358 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.796 -10.690 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.024 -12.416 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.316 -11.014 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.196 -11.887 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.593 -13.960 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -3.610 -13.068 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.635 -12.623 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.616 -13.511 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.278 -14.882 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.933 -15.503 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -2.920 -14.643 -4.956 1.00 0.00 H new ATOM 632 N ALA A 425 -6.395 -10.274 0.020 1.00 0.00 N ATOM 633 CA ALA A 425 -7.223 -9.891 1.163 1.00 0.00 C ATOM 634 C ALA A 425 -6.356 -9.331 2.288 1.00 0.00 C ATOM 635 O ALA A 425 -6.681 -9.456 3.470 1.00 0.00 O ATOM 636 CB ALA A 425 -8.056 -11.072 1.651 1.00 0.00 C ATOM 0 H ALA A 425 -6.619 -9.772 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.910 -9.109 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.663 -10.762 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.706 -11.416 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.394 -11.883 1.954 1.00 0.00 H new ATOM 642 N GLN A 426 -5.251 -8.711 1.904 1.00 0.00 N ATOM 643 CA GLN A 426 -4.300 -8.159 2.856 1.00 0.00 C ATOM 644 C GLN A 426 -4.614 -6.704 3.151 1.00 0.00 C ATOM 645 O GLN A 426 -5.449 -6.088 2.488 1.00 0.00 O ATOM 646 CB GLN A 426 -2.876 -8.272 2.308 1.00 0.00 C ATOM 647 CG GLN A 426 -2.326 -9.687 2.328 1.00 0.00 C ATOM 648 CD GLN A 426 -0.916 -9.783 1.774 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.525 -10.809 1.225 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.141 -8.718 1.911 1.00 0.00 N ATOM 0 H GLN A 426 -4.989 -8.577 0.927 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.379 -8.730 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.859 -7.899 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.219 -7.628 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.334 -10.060 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.983 -10.335 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.500 -7.882 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.815 -8.733 1.555 1.00 0.00 H new ATOM 659 N THR A 427 -3.957 -6.175 4.172 1.00 0.00 N ATOM 660 CA THR A 427 -4.039 -4.762 4.490 1.00 0.00 C ATOM 661 C THR A 427 -2.636 -4.176 4.563 1.00 0.00 C ATOM 662 O THR A 427 -2.430 -2.987 4.343 1.00 0.00 O ATOM 663 CB THR A 427 -4.765 -4.512 5.826 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.060 -5.159 6.895 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.199 -5.018 5.774 1.00 0.00 C ATOM 0 H THR A 427 -3.356 -6.711 4.798 1.00 0.00 H new ATOM 0 HA THR A 427 -4.614 -4.278 3.701 1.00 0.00 H new ATOM 0 HB THR A 427 -4.788 -3.437 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.586 -4.487 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.687 -4.828 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.739 -4.500 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.200 -6.089 5.573 1.00 0.00 H new ATOM 673 N THR A 428 -1.670 -5.030 4.872 1.00 0.00 N ATOM 674 CA THR A 428 -0.291 -4.622 4.959 1.00 0.00 C ATOM 675 C THR A 428 0.435 -4.830 3.637 1.00 0.00 C ATOM 676 O THR A 428 0.303 -5.877 2.996 1.00 0.00 O ATOM 677 CB THR A 428 0.427 -5.406 6.062 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.172 -6.701 6.218 1.00 0.00 O ATOM 679 CG2 THR A 428 0.391 -4.650 7.379 1.00 0.00 C ATOM 0 H THR A 428 -1.828 -6.019 5.067 1.00 0.00 H new ATOM 0 HA THR A 428 -0.278 -3.558 5.197 1.00 0.00 H new ATOM 0 HB THR A 428 1.470 -5.529 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.295 -7.195 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.908 -5.229 8.145 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.884 -3.685 7.258 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.645 -4.493 7.680 1.00 0.00 H new ATOM 687 N VAL A 429 1.195 -3.828 3.232 1.00 0.00 N ATOM 688 CA VAL A 429 1.997 -3.915 2.025 1.00 0.00 C ATOM 689 C VAL A 429 3.465 -3.982 2.398 1.00 0.00 C ATOM 690 O VAL A 429 3.901 -3.352 3.360 1.00 0.00 O ATOM 691 CB VAL A 429 1.776 -2.711 1.082 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.284 -3.010 -0.312 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.312 -2.313 1.036 1.00 0.00 C ATOM 0 H VAL A 429 1.274 -2.939 3.725 1.00 0.00 H new ATOM 0 HA VAL A 429 1.688 -4.816 1.495 1.00 0.00 H new ATOM 0 HB VAL A 429 2.346 -1.873 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.115 -2.145 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.351 -3.229 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.752 -3.871 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 429 0.187 -1.463 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.282 -3.152 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.022 -2.037 2.036 1.00 0.00 H new ATOM 703 N THR A 430 4.206 -4.764 1.650 1.00 0.00 N ATOM 704 CA THR A 430 5.621 -4.938 1.887 1.00 0.00 C ATOM 705 C THR A 430 6.430 -4.148 0.858 1.00 0.00 C ATOM 706 O THR A 430 6.205 -4.272 -0.341 1.00 0.00 O ATOM 707 CB THR A 430 5.972 -6.432 1.798 1.00 0.00 C ATOM 708 OG1 THR A 430 5.096 -7.181 2.655 1.00 0.00 O ATOM 709 CG2 THR A 430 7.424 -6.690 2.186 1.00 0.00 C ATOM 0 H THR A 430 3.846 -5.298 0.859 1.00 0.00 H new ATOM 0 HA THR A 430 5.867 -4.566 2.882 1.00 0.00 H new ATOM 0 HB THR A 430 5.842 -6.752 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.318 -8.134 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.637 -7.756 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.083 -6.141 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.591 -6.357 3.210 1.00 0.00 H new ATOM 717 N CYS A 431 7.341 -3.315 1.329 1.00 0.00 N ATOM 718 CA CYS A 431 8.221 -2.563 0.447 1.00 0.00 C ATOM 719 C CYS A 431 9.209 -3.491 -0.210 1.00 0.00 C ATOM 720 O CYS A 431 10.117 -3.993 0.452 1.00 0.00 O ATOM 721 CB CYS A 431 9.006 -1.506 1.226 1.00 0.00 C ATOM 722 SG CYS A 431 10.274 -0.636 0.239 1.00 0.00 S ATOM 0 H CYS A 431 7.492 -3.141 2.323 1.00 0.00 H new ATOM 0 HA CYS A 431 7.598 -2.075 -0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.307 -0.772 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.490 -1.984 2.078 1.00 0.00 H new ATOM 727 N MET A 432 9.053 -3.733 -1.500 1.00 0.00 N ATOM 728 CA MET A 432 10.034 -4.519 -2.203 1.00 0.00 C ATOM 729 C MET A 432 10.241 -4.049 -3.610 1.00 0.00 C ATOM 730 O MET A 432 9.304 -3.792 -4.361 1.00 0.00 O ATOM 731 CB MET A 432 9.732 -6.000 -2.167 1.00 0.00 C ATOM 732 CG MET A 432 10.116 -6.630 -0.853 1.00 0.00 C ATOM 733 SD MET A 432 10.644 -8.344 -1.023 1.00 0.00 S ATOM 734 CE MET A 432 11.010 -8.744 0.684 1.00 0.00 C ATOM 0 H MET A 432 8.272 -3.402 -2.066 1.00 0.00 H new ATOM 0 HA MET A 432 10.970 -4.368 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.668 -6.156 -2.345 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.267 -6.497 -2.976 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.921 -6.051 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.267 -6.583 -0.172 1.00 0.00 H new ATOM 0 HE1 MET A 432 11.352 -9.777 0.750 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.790 -8.079 1.054 1.00 0.00 H new ATOM 0 HE3 MET A 432 10.111 -8.620 1.288 1.00 0.00 H new ATOM 744 N GLU A 433 11.517 -3.938 -3.912 1.00 0.00 N ATOM 745 CA GLU A 433 12.033 -3.448 -5.174 1.00 0.00 C ATOM 746 C GLU A 433 11.306 -2.164 -5.595 1.00 0.00 C ATOM 747 O GLU A 433 11.082 -1.905 -6.771 1.00 0.00 O ATOM 748 CB GLU A 433 11.909 -4.566 -6.185 1.00 0.00 C ATOM 749 CG GLU A 433 12.918 -4.543 -7.327 1.00 0.00 C ATOM 750 CD GLU A 433 12.506 -3.666 -8.483 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.537 -4.024 -9.186 1.00 0.00 O ATOM 752 OE2 GLU A 433 13.162 -2.626 -8.704 1.00 0.00 O ATOM 0 H GLU A 433 12.255 -4.198 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 433 13.084 -3.171 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.004 -5.517 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 433 10.906 -4.536 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.878 -4.197 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.067 -5.560 -7.689 1.00 0.00 H new ATOM 759 N ASN A 434 10.908 -1.395 -4.579 1.00 0.00 N ATOM 760 CA ASN A 434 10.226 -0.096 -4.737 1.00 0.00 C ATOM 761 C ASN A 434 8.763 -0.305 -5.132 1.00 0.00 C ATOM 762 O ASN A 434 7.891 0.488 -4.785 1.00 0.00 O ATOM 763 CB ASN A 434 10.938 0.793 -5.774 1.00 0.00 C ATOM 764 CG ASN A 434 10.494 2.252 -5.749 1.00 0.00 C ATOM 765 OD1 ASN A 434 9.373 2.579 -5.369 1.00 0.00 O ATOM 766 ND2 ASN A 434 11.380 3.141 -6.167 1.00 0.00 N ATOM 0 H ASN A 434 11.050 -1.657 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 434 10.263 0.417 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.013 0.748 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.760 0.387 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 434 11.140 4.132 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 434 12.303 2.835 -6.476 1.00 0.00 H new ATOM 773 N GLY A 435 8.493 -1.413 -5.795 1.00 0.00 N ATOM 774 CA GLY A 435 7.191 -1.629 -6.374 1.00 0.00 C ATOM 775 C GLY A 435 6.292 -2.482 -5.515 1.00 0.00 C ATOM 776 O GLY A 435 5.577 -3.327 -6.044 1.00 0.00 O ATOM 0 H GLY A 435 9.158 -2.172 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.712 -0.665 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.308 -2.103 -7.348 1.00 0.00 H new ATOM 780 N TRP A 436 6.354 -2.246 -4.196 1.00 0.00 N ATOM 781 CA TRP A 436 5.459 -2.834 -3.206 1.00 0.00 C ATOM 782 C TRP A 436 5.045 -4.278 -3.511 1.00 0.00 C ATOM 783 O TRP A 436 4.173 -4.520 -4.345 1.00 0.00 O ATOM 784 CB TRP A 436 4.238 -1.947 -3.088 1.00 0.00 C ATOM 785 CG TRP A 436 4.533 -0.563 -2.590 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.535 0.589 -3.324 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.864 -0.184 -1.249 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.836 1.661 -2.520 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.047 1.213 -1.243 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.025 -0.887 -0.054 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.380 1.913 -0.088 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.353 -0.189 1.090 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.529 1.197 1.067 1.00 0.00 C ATOM 0 H TRP A 436 7.049 -1.623 -3.784 1.00 0.00 H new ATOM 0 HA TRP A 436 6.004 -2.889 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.758 -1.876 -4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.523 -2.419 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.330 0.648 -4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.893 2.633 -2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.895 -1.959 -0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.516 2.984 -0.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.476 -0.724 2.020 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.788 1.713 1.980 1.00 0.00 H new ATOM 804 N SER A 437 5.611 -5.209 -2.750 1.00 0.00 N ATOM 805 CA SER A 437 5.509 -6.641 -3.018 1.00 0.00 C ATOM 806 C SER A 437 4.089 -7.089 -3.388 1.00 0.00 C ATOM 807 O SER A 437 3.873 -7.611 -4.482 1.00 0.00 O ATOM 808 CB SER A 437 6.012 -7.417 -1.799 1.00 0.00 C ATOM 809 OG SER A 437 7.365 -7.191 -1.567 1.00 0.00 O ATOM 0 H SER A 437 6.160 -4.989 -1.919 1.00 0.00 H new ATOM 0 HA SER A 437 6.130 -6.855 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.438 -7.125 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.842 -8.483 -1.951 1.00 0.00 H new ATOM 0 HG SER A 437 7.832 -8.049 -1.495 1.00 0.00 H new ATOM 815 N PRO A 438 3.096 -6.894 -2.499 1.00 0.00 N ATOM 816 CA PRO A 438 1.740 -7.355 -2.749 1.00 0.00 C ATOM 817 C PRO A 438 0.893 -6.329 -3.497 1.00 0.00 C ATOM 818 O PRO A 438 -0.236 -6.606 -3.895 1.00 0.00 O ATOM 819 CB PRO A 438 1.237 -7.577 -1.338 1.00 0.00 C ATOM 820 CG PRO A 438 1.847 -6.469 -0.560 1.00 0.00 C ATOM 821 CD PRO A 438 3.203 -6.242 -1.175 1.00 0.00 C ATOM 0 HA PRO A 438 1.692 -8.235 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.148 -7.544 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.543 -8.550 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.236 -5.568 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.934 -6.731 0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.429 -5.180 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.996 -6.685 -0.573 1.00 0.00 H new ATOM 829 N THR A 439 1.475 -5.144 -3.675 1.00 0.00 N ATOM 830 CA THR A 439 0.881 -4.059 -4.456 1.00 0.00 C ATOM 831 C THR A 439 -0.306 -3.386 -3.747 1.00 0.00 C ATOM 832 O THR A 439 -1.335 -4.009 -3.495 1.00 0.00 O ATOM 833 CB THR A 439 0.452 -4.551 -5.857 1.00 0.00 C ATOM 834 OG1 THR A 439 1.587 -5.110 -6.535 1.00 0.00 O ATOM 835 CG2 THR A 439 -0.129 -3.416 -6.687 1.00 0.00 C ATOM 0 H THR A 439 2.383 -4.907 -3.276 1.00 0.00 H new ATOM 0 HA THR A 439 1.661 -3.305 -4.563 1.00 0.00 H new ATOM 0 HB THR A 439 -0.320 -5.310 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.316 -5.424 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.421 -3.794 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 439 -1.003 -3.006 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.620 -2.634 -6.809 1.00 0.00 H new ATOM 843 N PRO A 440 -0.163 -2.089 -3.418 1.00 0.00 N ATOM 844 CA PRO A 440 -1.232 -1.282 -2.854 1.00 0.00 C ATOM 845 C PRO A 440 -2.055 -0.629 -3.958 1.00 0.00 C ATOM 846 O PRO A 440 -1.576 0.266 -4.657 1.00 0.00 O ATOM 847 CB PRO A 440 -0.488 -0.222 -2.037 1.00 0.00 C ATOM 848 CG PRO A 440 0.926 -0.213 -2.541 1.00 0.00 C ATOM 849 CD PRO A 440 1.054 -1.295 -3.585 1.00 0.00 C ATOM 0 HA PRO A 440 -1.934 -1.865 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.950 0.758 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.520 -0.459 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.173 0.759 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.624 -0.388 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.123 -0.876 -4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.949 -1.897 -3.429 1.00 0.00 H new ATOM 857 N ARG A 441 -3.284 -1.085 -4.131 1.00 0.00 N ATOM 858 CA ARG A 441 -4.103 -0.605 -5.237 1.00 0.00 C ATOM 859 C ARG A 441 -5.587 -0.558 -4.884 1.00 0.00 C ATOM 860 O ARG A 441 -6.352 0.114 -5.567 1.00 0.00 O ATOM 861 CB ARG A 441 -3.885 -1.478 -6.475 1.00 0.00 C ATOM 862 CG ARG A 441 -4.241 -2.942 -6.276 1.00 0.00 C ATOM 863 CD ARG A 441 -4.109 -3.714 -7.578 1.00 0.00 C ATOM 864 NE ARG A 441 -4.929 -3.124 -8.634 1.00 0.00 N ATOM 865 CZ ARG A 441 -4.592 -3.104 -9.926 1.00 0.00 C ATOM 866 NH1 ARG A 441 -3.490 -3.713 -10.344 1.00 0.00 N ATOM 867 NH2 ARG A 441 -5.370 -2.488 -10.805 1.00 0.00 N ATOM 0 H ARG A 441 -3.734 -1.777 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 441 -3.788 0.416 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.481 -1.079 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -2.840 -1.408 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.588 -3.380 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -5.261 -3.025 -5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.065 -3.727 -7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.407 -4.750 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.817 -2.700 -8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.893 -4.201 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.240 -3.693 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.226 -2.029 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -5.112 -2.473 -11.792 1.00 0.00 H new ATOM 881 N CYS A 442 -5.984 -1.264 -3.827 1.00 0.00 N ATOM 882 CA CYS A 442 -7.389 -1.302 -3.405 1.00 0.00 C ATOM 883 C CYS A 442 -8.296 -1.818 -4.523 1.00 0.00 C ATOM 884 O CYS A 442 -8.852 -1.046 -5.307 1.00 0.00 O ATOM 885 CB CYS A 442 -7.856 0.084 -2.941 1.00 0.00 C ATOM 886 SG CYS A 442 -6.929 0.737 -1.514 1.00 0.00 S ATOM 0 H CYS A 442 -5.356 -1.818 -3.245 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.459 -1.995 -2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.765 0.784 -3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.913 0.032 -2.682 1.00 0.00 H new ATOM 891 N ILE A 443 -8.441 -3.132 -4.587 1.00 0.00 N ATOM 892 CA ILE A 443 -9.309 -3.758 -5.569 1.00 0.00 C ATOM 893 C ILE A 443 -10.723 -3.790 -5.016 1.00 0.00 C ATOM 894 O ILE A 443 -10.921 -3.704 -3.805 1.00 0.00 O ATOM 895 CB ILE A 443 -8.865 -5.201 -5.885 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.347 -5.276 -6.029 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.531 -5.699 -7.159 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.823 -6.679 -6.253 1.00 0.00 C ATOM 0 H ILE A 443 -7.966 -3.788 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.259 -3.178 -6.491 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.172 -5.839 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.039 -4.646 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -6.885 -4.865 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.205 -6.719 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.614 -5.682 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.252 -5.053 -7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.737 -6.651 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.099 -7.310 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.255 -7.087 -7.167 1.00 0.00 H new ATOM 910 N ARG A 444 -11.699 -3.914 -5.891 1.00 0.00 N ATOM 911 CA ARG A 444 -13.086 -3.919 -5.475 1.00 0.00 C ATOM 912 C ARG A 444 -13.454 -5.280 -4.922 1.00 0.00 C ATOM 913 O ARG A 444 -13.265 -6.305 -5.574 1.00 0.00 O ATOM 914 CB ARG A 444 -13.985 -3.555 -6.652 1.00 0.00 C ATOM 915 CG ARG A 444 -15.376 -3.106 -6.255 1.00 0.00 C ATOM 916 CD ARG A 444 -16.248 -2.883 -7.480 1.00 0.00 C ATOM 917 NE ARG A 444 -17.532 -2.263 -7.155 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.698 -2.656 -7.665 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.764 -3.739 -8.427 1.00 0.00 N ATOM 920 NH2 ARG A 444 -19.802 -1.975 -7.396 1.00 0.00 N ATOM 0 H ARG A 444 -11.557 -4.013 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.228 -3.176 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.509 -2.760 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.069 -4.419 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.834 -3.856 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.313 -2.184 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -15.714 -2.252 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.425 -3.839 -7.973 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.535 -1.483 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.919 -4.275 -8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.659 -4.036 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -19.759 -1.150 -6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.695 -2.276 -7.787 1.00 0.00 H new ATOM 934 N VAL A 445 -13.956 -5.280 -3.709 1.00 0.00 N ATOM 935 CA VAL A 445 -14.309 -6.511 -3.034 1.00 0.00 C ATOM 936 C VAL A 445 -15.783 -6.831 -3.263 1.00 0.00 C ATOM 937 O VAL A 445 -16.230 -7.960 -3.054 1.00 0.00 O ATOM 938 CB VAL A 445 -13.999 -6.411 -1.525 1.00 0.00 C ATOM 939 CG1 VAL A 445 -15.026 -5.557 -0.799 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.900 -7.789 -0.896 1.00 0.00 C ATOM 0 H VAL A 445 -14.131 -4.435 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.710 -7.321 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.031 -5.921 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.776 -5.509 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.024 -4.551 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.016 -5.998 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.681 -7.689 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.846 -8.316 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.102 -8.353 -1.379 1.00 0.00 H new