USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=15 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 Set 1.1: A 432 MET CE :methyl -179:sc= 0 (180deg=-0.0012) USER MOD Set 1.2: A 437 SER OG : rot 90:sc= -5! USER MOD Single : A 388 LYS NZ :NH3+ -162:sc= 0.43 (180deg=-0.227) USER MOD Single : A 390 TYR OH : rot -157:sc= -0.081 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.349! X(o=-0.35!,f=-0.61) USER MOD Single : A 398 TYR OH : rot 180:sc= -0.529 USER MOD Single : A 399 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.55) USER MOD Single : A 400 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 401 ASN : amide:sc= 0.478 K(o=0.48,f=-3.4!) 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= -1.69 K(o=-1.7,f=0.026) USER MOD Single : A 410 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00205) USER MOD Single : A 411 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 417 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0.951 USER MOD Single : A 424 LYS NZ :NH3+ 171:sc=-0.00912 (180deg=-0.122) USER MOD Single : A 426 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.7!) 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 434 ASN : amide:sc= -2.1! C(o=-2.1!,f=-11!) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.128 -0.928 -3.532 1.00 0.00 N ATOM 21 CA ARG A 387 13.958 -0.078 -3.412 1.00 0.00 C ATOM 22 C ARG A 387 14.217 1.361 -2.969 1.00 0.00 C ATOM 23 O ARG A 387 15.322 1.756 -2.598 1.00 0.00 O ATOM 24 CB ARG A 387 13.093 -0.680 -2.334 1.00 0.00 C ATOM 25 CG ARG A 387 13.551 -0.237 -0.969 1.00 0.00 C ATOM 26 CD ARG A 387 14.990 -0.667 -0.649 1.00 0.00 C ATOM 27 NE ARG A 387 15.494 -0.092 0.602 1.00 0.00 N ATOM 28 CZ ARG A 387 16.543 -0.584 1.279 1.00 0.00 C ATOM 29 NH1 ARG A 387 17.166 -1.673 0.850 1.00 0.00 N ATOM 30 NH2 ARG A 387 16.967 0.016 2.384 1.00 0.00 N ATOM 0 HA ARG A 387 13.523 -0.031 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 387 12.055 -0.385 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.128 -1.768 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 387 13.479 0.849 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 387 12.879 -0.648 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 387 15.033 -1.754 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.643 -0.369 -1.469 1.00 0.00 H new ATOM 0 HE ARG A 387 15.020 0.729 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.848 -2.141 0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.963 -2.042 1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.495 0.855 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.765 -0.362 2.895 1.00 0.00 H new ATOM 44 N LYS A 388 13.123 2.102 -2.984 1.00 0.00 N ATOM 45 CA LYS A 388 12.913 3.239 -2.134 1.00 0.00 C ATOM 46 C LYS A 388 11.439 3.594 -2.232 1.00 0.00 C ATOM 47 O LYS A 388 11.060 4.649 -2.739 1.00 0.00 O ATOM 48 CB LYS A 388 13.781 4.409 -2.519 1.00 0.00 C ATOM 49 CG LYS A 388 14.197 5.228 -1.317 1.00 0.00 C ATOM 50 CD LYS A 388 15.041 4.416 -0.329 1.00 0.00 C ATOM 51 CE LYS A 388 16.532 4.481 -0.643 1.00 0.00 C ATOM 52 NZ LYS A 388 16.874 3.963 -2.000 1.00 0.00 N ATOM 0 H LYS A 388 12.339 1.916 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 388 13.191 2.994 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.670 4.046 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.242 5.045 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.765 6.096 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 388 13.308 5.604 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.869 4.787 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.714 3.376 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.868 5.515 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.079 3.907 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.891 3.748 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.328 3.098 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.642 4.682 -2.715 1.00 0.00 H new ATOM 66 N CYS A 389 10.638 2.660 -1.743 1.00 0.00 N ATOM 67 CA CYS A 389 9.195 2.616 -1.972 1.00 0.00 C ATOM 68 C CYS A 389 8.500 3.928 -1.667 1.00 0.00 C ATOM 69 O CYS A 389 8.364 4.310 -0.511 1.00 0.00 O ATOM 70 CB CYS A 389 8.559 1.516 -1.122 1.00 0.00 C ATOM 71 SG CYS A 389 9.256 -0.146 -1.382 1.00 0.00 S ATOM 0 H CYS A 389 10.977 1.893 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 389 9.064 2.411 -3.035 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.668 1.780 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.490 1.484 -1.334 1.00 0.00 H new ATOM 76 N TYR A 390 8.058 4.604 -2.709 1.00 0.00 N ATOM 77 CA TYR A 390 7.192 5.753 -2.555 1.00 0.00 C ATOM 78 C TYR A 390 5.748 5.272 -2.589 1.00 0.00 C ATOM 79 O TYR A 390 5.329 4.628 -3.553 1.00 0.00 O ATOM 80 CB TYR A 390 7.450 6.777 -3.666 1.00 0.00 C ATOM 81 CG TYR A 390 6.652 8.050 -3.513 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.041 9.022 -2.606 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.508 8.276 -4.270 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.319 10.187 -2.455 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.778 9.440 -4.124 1.00 0.00 C ATOM 86 CZ TYR A 390 5.189 10.392 -3.215 1.00 0.00 C ATOM 87 OH TYR A 390 4.468 11.554 -3.062 1.00 0.00 O ATOM 0 H TYR A 390 8.287 4.375 -3.676 1.00 0.00 H new ATOM 0 HA TYR A 390 7.394 6.245 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.512 7.023 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.214 6.323 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.925 8.865 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.185 7.531 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.638 10.935 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.891 9.603 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 390 3.548 11.411 -3.369 1.00 0.00 H new ATOM 97 N PHE A 391 5.004 5.532 -1.525 1.00 0.00 N ATOM 98 CA PHE A 391 3.627 5.074 -1.446 1.00 0.00 C ATOM 99 C PHE A 391 2.757 5.845 -2.441 1.00 0.00 C ATOM 100 O PHE A 391 2.695 7.075 -2.401 1.00 0.00 O ATOM 101 CB PHE A 391 3.088 5.225 -0.023 1.00 0.00 C ATOM 102 CG PHE A 391 1.833 4.438 0.231 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.587 4.992 -0.005 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.905 3.139 0.709 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.565 4.268 0.231 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.756 2.409 0.945 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.481 2.975 0.706 1.00 0.00 C ATOM 0 H PHE A 391 5.328 6.054 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 391 3.597 4.016 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.855 4.907 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.892 6.279 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.515 6.003 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.870 2.693 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.531 4.713 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.825 1.397 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.381 2.407 0.890 1.00 0.00 H new ATOM 117 N PRO A 392 2.083 5.117 -3.346 1.00 0.00 N ATOM 118 CA PRO A 392 1.294 5.712 -4.426 1.00 0.00 C ATOM 119 C PRO A 392 -0.059 6.239 -3.960 1.00 0.00 C ATOM 120 O PRO A 392 -0.518 5.947 -2.851 1.00 0.00 O ATOM 121 CB PRO A 392 1.103 4.544 -5.391 1.00 0.00 C ATOM 122 CG PRO A 392 1.110 3.335 -4.524 1.00 0.00 C ATOM 123 CD PRO A 392 2.042 3.642 -3.382 1.00 0.00 C ATOM 0 HA PRO A 392 1.792 6.580 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.165 4.633 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.903 4.506 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.107 3.112 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.449 2.460 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.673 3.229 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.032 3.218 -3.549 1.00 0.00 H new ATOM 131 N TYR A 393 -0.698 7.017 -4.823 1.00 0.00 N ATOM 132 CA TYR A 393 -1.985 7.610 -4.512 1.00 0.00 C ATOM 133 C TYR A 393 -3.113 6.647 -4.848 1.00 0.00 C ATOM 134 O TYR A 393 -3.314 6.277 -6.007 1.00 0.00 O ATOM 135 CB TYR A 393 -2.161 8.929 -5.278 1.00 0.00 C ATOM 136 CG TYR A 393 -3.495 9.608 -5.047 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.682 10.462 -3.969 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.564 9.398 -5.910 1.00 0.00 C ATOM 139 CE1 TYR A 393 -4.897 11.083 -3.756 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.781 10.016 -5.702 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.942 10.856 -4.624 1.00 0.00 C ATOM 142 OH TYR A 393 -7.155 11.467 -4.414 1.00 0.00 O ATOM 0 H TYR A 393 -0.341 7.251 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.020 7.819 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.363 9.613 -4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.044 8.735 -6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -2.865 10.644 -3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.441 8.740 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.027 11.744 -2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.602 9.841 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.782 11.200 -5.118 1.00 0.00 H new ATOM 152 N LEU A 394 -3.834 6.243 -3.820 1.00 0.00 N ATOM 153 CA LEU A 394 -4.979 5.364 -3.969 1.00 0.00 C ATOM 154 C LEU A 394 -6.240 6.190 -4.161 1.00 0.00 C ATOM 155 O LEU A 394 -6.626 6.959 -3.279 1.00 0.00 O ATOM 156 CB LEU A 394 -5.113 4.489 -2.728 1.00 0.00 C ATOM 157 CG LEU A 394 -3.832 3.764 -2.326 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.880 3.385 -0.864 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.618 2.533 -3.194 1.00 0.00 C ATOM 0 H LEU A 394 -3.642 6.515 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.837 4.728 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.441 5.110 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.895 3.750 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 394 -2.990 4.438 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.960 2.869 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.984 4.285 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -4.731 2.728 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.700 2.030 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.461 1.852 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.540 2.834 -4.239 1.00 0.00 H new ATOM 171 N GLU A 395 -6.867 6.036 -5.313 1.00 0.00 N ATOM 172 CA GLU A 395 -8.085 6.767 -5.632 1.00 0.00 C ATOM 173 C GLU A 395 -9.272 6.177 -4.874 1.00 0.00 C ATOM 174 O GLU A 395 -10.204 6.888 -4.499 1.00 0.00 O ATOM 175 CB GLU A 395 -8.340 6.759 -7.152 1.00 0.00 C ATOM 176 CG GLU A 395 -8.645 5.388 -7.755 1.00 0.00 C ATOM 177 CD GLU A 395 -7.562 4.355 -7.500 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.520 4.391 -8.184 1.00 0.00 O ATOM 179 OE2 GLU A 395 -7.744 3.514 -6.594 1.00 0.00 O ATOM 0 H GLU A 395 -6.551 5.406 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.962 7.804 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.174 7.426 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -7.464 7.172 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.587 5.022 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -8.785 5.497 -8.830 1.00 0.00 H new ATOM 186 N ASN A 396 -9.218 4.875 -4.636 1.00 0.00 N ATOM 187 CA ASN A 396 -10.235 4.196 -3.847 1.00 0.00 C ATOM 188 C ASN A 396 -9.749 4.015 -2.411 1.00 0.00 C ATOM 189 O ASN A 396 -10.261 3.178 -1.668 1.00 0.00 O ATOM 190 CB ASN A 396 -10.576 2.830 -4.456 1.00 0.00 C ATOM 191 CG ASN A 396 -11.233 2.930 -5.823 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.456 3.004 -5.938 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.425 2.922 -6.870 1.00 0.00 N ATOM 0 H ASN A 396 -8.477 4.265 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.135 4.810 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.664 2.240 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.241 2.294 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.811 2.978 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.416 2.860 -6.735 1.00 0.00 H new ATOM 200 N GLY A 397 -8.762 4.815 -2.022 1.00 0.00 N ATOM 201 CA GLY A 397 -8.188 4.698 -0.697 1.00 0.00 C ATOM 202 C GLY A 397 -8.020 6.043 -0.026 1.00 0.00 C ATOM 203 O GLY A 397 -8.329 7.077 -0.613 1.00 0.00 O ATOM 0 H GLY A 397 -8.349 5.544 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.826 4.064 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.219 4.204 -0.765 1.00 0.00 H new ATOM 207 N TYR A 398 -7.529 6.032 1.206 1.00 0.00 N ATOM 208 CA TYR A 398 -7.370 7.256 1.980 1.00 0.00 C ATOM 209 C TYR A 398 -6.000 7.886 1.758 1.00 0.00 C ATOM 210 O TYR A 398 -5.749 9.012 2.183 1.00 0.00 O ATOM 211 CB TYR A 398 -7.564 6.972 3.469 1.00 0.00 C ATOM 212 CG TYR A 398 -8.958 6.505 3.838 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.303 5.163 3.763 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.926 7.406 4.266 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.570 4.731 4.101 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.197 6.981 4.608 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.511 5.642 4.522 1.00 0.00 C ATOM 218 OH TYR A 398 -12.772 5.209 4.858 1.00 0.00 O ATOM 0 H TYR A 398 -7.233 5.186 1.692 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.130 7.959 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.845 6.213 3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.335 7.877 4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.567 4.444 3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.682 8.456 4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -10.821 3.683 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.938 7.693 4.940 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.317 5.974 5.136 1.00 0.00 H new ATOM 228 N ASN A 399 -5.124 7.122 1.085 1.00 0.00 N ATOM 229 CA ASN A 399 -3.743 7.534 0.748 1.00 0.00 C ATOM 230 C ASN A 399 -3.027 8.250 1.885 1.00 0.00 C ATOM 231 O ASN A 399 -2.225 9.150 1.644 1.00 0.00 O ATOM 232 CB ASN A 399 -3.685 8.402 -0.520 1.00 0.00 C ATOM 233 CG ASN A 399 -4.584 9.627 -0.482 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.189 10.686 0.003 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.790 9.495 -1.014 1.00 0.00 N ATOM 0 H ASN A 399 -5.355 6.186 0.753 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.217 6.598 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.656 8.726 -0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.961 7.790 -1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.429 10.290 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.079 8.599 -1.406 1.00 0.00 H new ATOM 242 N GLN A 400 -3.274 7.818 3.112 1.00 0.00 N ATOM 243 CA GLN A 400 -2.656 8.435 4.275 1.00 0.00 C ATOM 244 C GLN A 400 -1.138 8.277 4.242 1.00 0.00 C ATOM 245 O GLN A 400 -0.409 9.091 4.803 1.00 0.00 O ATOM 246 CB GLN A 400 -3.226 7.826 5.551 1.00 0.00 C ATOM 247 CG GLN A 400 -4.725 8.027 5.694 1.00 0.00 C ATOM 248 CD GLN A 400 -5.289 7.349 6.924 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.776 6.326 7.374 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.350 7.910 7.475 1.00 0.00 N ATOM 0 H GLN A 400 -3.899 7.041 3.328 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.881 9.501 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.006 6.758 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.723 8.267 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.942 9.094 5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.226 7.638 4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.746 8.759 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.774 7.494 8.305 1.00 0.00 H new ATOM 259 N ASN A 401 -0.667 7.236 3.565 1.00 0.00 N ATOM 260 CA ASN A 401 0.762 6.991 3.454 1.00 0.00 C ATOM 261 C ASN A 401 1.328 7.583 2.170 1.00 0.00 C ATOM 262 O ASN A 401 2.539 7.568 1.966 1.00 0.00 O ATOM 263 CB ASN A 401 1.086 5.494 3.507 1.00 0.00 C ATOM 264 CG ASN A 401 0.743 4.859 4.839 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.526 4.926 5.784 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.411 4.214 4.913 1.00 0.00 N ATOM 0 H ASN A 401 -1.253 6.552 3.087 1.00 0.00 H new ATOM 0 HA ASN A 401 1.229 7.481 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.539 4.982 2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.148 5.351 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.680 3.748 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.031 4.184 4.104 1.00 0.00 H new ATOM 273 N TYR A 402 0.463 8.094 1.293 1.00 0.00 N ATOM 274 CA TYR A 402 0.936 8.708 0.061 1.00 0.00 C ATOM 275 C TYR A 402 1.823 9.902 0.392 1.00 0.00 C ATOM 276 O TYR A 402 1.387 10.862 1.032 1.00 0.00 O ATOM 277 CB TYR A 402 -0.232 9.124 -0.845 1.00 0.00 C ATOM 278 CG TYR A 402 0.180 10.027 -1.990 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.785 9.507 -3.127 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.029 11.399 -1.930 1.00 0.00 C ATOM 281 CE1 TYR A 402 1.171 10.328 -4.169 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.352 12.226 -2.968 1.00 0.00 C ATOM 283 CZ TYR A 402 0.951 11.685 -4.084 1.00 0.00 C ATOM 284 OH TYR A 402 1.340 12.505 -5.119 1.00 0.00 O ATOM 0 H TYR A 402 -0.550 8.094 1.413 1.00 0.00 H new ATOM 0 HA TYR A 402 1.522 7.972 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.703 8.229 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.984 9.635 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.957 8.443 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.498 11.826 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.643 9.908 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.181 13.291 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 402 1.113 13.434 -4.904 1.00 0.00 H new ATOM 294 N GLY A 403 3.072 9.817 -0.033 1.00 0.00 N ATOM 295 CA GLY A 403 4.052 10.829 0.305 1.00 0.00 C ATOM 296 C GLY A 403 5.146 10.269 1.190 1.00 0.00 C ATOM 297 O GLY A 403 6.161 10.919 1.427 1.00 0.00 O ATOM 0 H GLY A 403 3.429 9.057 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.491 11.231 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.560 11.658 0.814 1.00 0.00 H new ATOM 301 N ARG A 404 4.937 9.053 1.679 1.00 0.00 N ATOM 302 CA ARG A 404 5.911 8.388 2.533 1.00 0.00 C ATOM 303 C ARG A 404 6.724 7.381 1.738 1.00 0.00 C ATOM 304 O ARG A 404 6.219 6.768 0.794 1.00 0.00 O ATOM 305 CB ARG A 404 5.208 7.682 3.690 1.00 0.00 C ATOM 306 CG ARG A 404 4.438 8.632 4.585 1.00 0.00 C ATOM 307 CD ARG A 404 3.660 7.894 5.663 1.00 0.00 C ATOM 308 NE ARG A 404 2.862 8.812 6.477 1.00 0.00 N ATOM 309 CZ ARG A 404 1.913 8.427 7.331 1.00 0.00 C ATOM 310 NH1 ARG A 404 1.617 7.143 7.475 1.00 0.00 N ATOM 311 NH2 ARG A 404 1.246 9.328 8.036 1.00 0.00 N ATOM 0 H ARG A 404 4.096 8.505 1.497 1.00 0.00 H new ATOM 0 HA ARG A 404 6.585 9.146 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.524 6.934 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.948 7.149 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.131 9.332 5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.749 9.222 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.006 7.156 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.353 7.348 6.303 1.00 0.00 H new ATOM 0 HE ARG A 404 3.044 9.811 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.117 6.440 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 404 0.890 6.858 8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.458 10.320 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 404 0.521 9.030 8.688 1.00 0.00 H new ATOM 325 N LYS A 405 7.983 7.224 2.114 1.00 0.00 N ATOM 326 CA LYS A 405 8.859 6.274 1.472 1.00 0.00 C ATOM 327 C LYS A 405 9.350 5.242 2.482 1.00 0.00 C ATOM 328 O LYS A 405 9.431 5.522 3.680 1.00 0.00 O ATOM 329 CB LYS A 405 10.025 7.016 0.829 1.00 0.00 C ATOM 330 CG LYS A 405 9.571 8.015 -0.226 1.00 0.00 C ATOM 331 CD LYS A 405 10.722 8.822 -0.808 1.00 0.00 C ATOM 332 CE LYS A 405 11.596 7.989 -1.730 1.00 0.00 C ATOM 333 NZ LYS A 405 12.597 8.830 -2.439 1.00 0.00 N ATOM 0 H LYS A 405 8.419 7.752 2.870 1.00 0.00 H new ATOM 0 HA LYS A 405 8.314 5.741 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.588 7.539 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.703 6.295 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.064 7.482 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.842 8.696 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.324 9.674 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.330 9.222 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.109 7.221 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.970 7.474 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.177 8.230 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.106 9.547 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.209 9.302 -1.743 1.00 0.00 H new ATOM 347 N PHE A 406 9.659 4.045 1.997 1.00 0.00 N ATOM 348 CA PHE A 406 10.029 2.932 2.867 1.00 0.00 C ATOM 349 C PHE A 406 11.178 2.119 2.275 1.00 0.00 C ATOM 350 O PHE A 406 11.474 2.199 1.072 1.00 0.00 O ATOM 351 CB PHE A 406 8.827 2.004 3.109 1.00 0.00 C ATOM 352 CG PHE A 406 7.704 2.633 3.890 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.713 3.358 3.249 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.636 2.484 5.266 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.677 3.927 3.965 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.602 3.049 5.988 1.00 0.00 C ATOM 357 CZ PHE A 406 5.621 3.771 5.335 1.00 0.00 C ATOM 0 H PHE A 406 9.661 3.819 1.002 1.00 0.00 H new ATOM 0 HA PHE A 406 10.353 3.361 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.441 1.670 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.170 1.116 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.750 3.480 2.177 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.400 1.920 5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.913 4.493 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.561 2.927 7.060 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.811 4.213 5.897 1.00 0.00 H new ATOM 367 N VAL A 407 11.809 1.325 3.136 1.00 0.00 N ATOM 368 CA VAL A 407 12.923 0.472 2.751 1.00 0.00 C ATOM 369 C VAL A 407 12.442 -0.955 2.483 1.00 0.00 C ATOM 370 O VAL A 407 11.500 -1.431 3.115 1.00 0.00 O ATOM 371 CB VAL A 407 14.019 0.463 3.839 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.587 1.862 4.030 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.478 -0.075 5.155 1.00 0.00 C ATOM 0 H VAL A 407 11.559 1.257 4.123 1.00 0.00 H new ATOM 0 HA VAL A 407 13.351 0.879 1.835 1.00 0.00 H new ATOM 0 HB VAL A 407 14.820 -0.198 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.358 1.840 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.020 2.210 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.790 2.540 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.271 -0.070 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.655 0.554 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.120 -1.095 5.012 1.00 0.00 H new ATOM 383 N GLN A 408 13.084 -1.622 1.528 1.00 0.00 N ATOM 384 CA GLN A 408 12.634 -2.937 1.067 1.00 0.00 C ATOM 385 C GLN A 408 12.854 -3.985 2.146 1.00 0.00 C ATOM 386 O GLN A 408 13.976 -4.194 2.609 1.00 0.00 O ATOM 387 CB GLN A 408 13.319 -3.358 -0.254 1.00 0.00 C ATOM 388 CG GLN A 408 13.022 -4.789 -0.665 1.00 0.00 C ATOM 389 CD GLN A 408 13.846 -5.287 -1.846 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.123 -6.476 -1.957 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.274 -4.387 -2.718 1.00 0.00 N ATOM 0 H GLN A 408 13.919 -1.275 1.056 1.00 0.00 H new ATOM 0 HA GLN A 408 11.566 -2.861 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.998 -2.686 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.397 -3.235 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.199 -5.444 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.964 -4.871 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.027 -3.404 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.850 -4.676 -3.508 1.00 0.00 H new ATOM 400 N GLY A 409 11.771 -4.639 2.521 1.00 0.00 N ATOM 401 CA GLY A 409 11.800 -5.564 3.631 1.00 0.00 C ATOM 402 C GLY A 409 10.960 -5.040 4.772 1.00 0.00 C ATOM 403 O GLY A 409 11.029 -5.533 5.898 1.00 0.00 O ATOM 0 H GLY A 409 10.861 -4.545 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.426 -6.537 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.827 -5.711 3.964 1.00 0.00 H new ATOM 407 N LYS A 410 10.174 -4.021 4.461 1.00 0.00 N ATOM 408 CA LYS A 410 9.295 -3.379 5.428 1.00 0.00 C ATOM 409 C LYS A 410 7.852 -3.571 5.005 1.00 0.00 C ATOM 410 O LYS A 410 7.581 -3.891 3.855 1.00 0.00 O ATOM 411 CB LYS A 410 9.607 -1.882 5.502 1.00 0.00 C ATOM 412 CG LYS A 410 9.984 -1.387 6.885 1.00 0.00 C ATOM 413 CD LYS A 410 8.803 -1.410 7.841 1.00 0.00 C ATOM 414 CE LYS A 410 9.127 -0.707 9.151 1.00 0.00 C ATOM 415 NZ LYS A 410 10.208 -1.391 9.911 1.00 0.00 N ATOM 0 H LYS A 410 10.127 -3.614 3.527 1.00 0.00 H new ATOM 0 HA LYS A 410 9.453 -3.828 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.423 -1.659 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.737 -1.325 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.786 -2.007 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.372 -0.371 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 410 7.945 -0.928 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.518 -2.443 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 410 9.427 0.320 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 410 8.229 -0.659 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 10.380 -0.884 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 9.921 -2.369 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.080 -1.399 9.344 1.00 0.00 H new ATOM 429 N SER A 411 6.939 -3.367 5.928 1.00 0.00 N ATOM 430 CA SER A 411 5.526 -3.456 5.625 1.00 0.00 C ATOM 431 C SER A 411 4.794 -2.252 6.186 1.00 0.00 C ATOM 432 O SER A 411 5.276 -1.590 7.111 1.00 0.00 O ATOM 433 CB SER A 411 4.940 -4.751 6.181 1.00 0.00 C ATOM 434 OG SER A 411 3.564 -4.883 5.873 1.00 0.00 O ATOM 0 H SER A 411 7.150 -3.137 6.899 1.00 0.00 H new ATOM 0 HA SER A 411 5.401 -3.464 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.487 -5.601 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.074 -4.775 7.262 1.00 0.00 H new ATOM 0 HG SER A 411 3.225 -5.724 6.244 1.00 0.00 H new ATOM 440 N ILE A 412 3.638 -1.982 5.621 1.00 0.00 N ATOM 441 CA ILE A 412 2.840 -0.828 6.000 1.00 0.00 C ATOM 442 C ILE A 412 1.367 -1.126 5.807 1.00 0.00 C ATOM 443 O ILE A 412 0.965 -1.792 4.850 1.00 0.00 O ATOM 444 CB ILE A 412 3.246 0.434 5.195 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.511 1.674 5.714 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.978 0.244 3.708 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.840 2.018 7.153 1.00 0.00 C ATOM 0 H ILE A 412 3.221 -2.553 4.886 1.00 0.00 H new ATOM 0 HA ILE A 412 3.027 -0.622 7.054 1.00 0.00 H new ATOM 0 HB ILE A 412 4.317 0.585 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.760 2.525 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.437 1.513 5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.272 1.144 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.554 -0.605 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.916 0.057 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.283 2.906 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.565 1.184 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.909 2.212 7.246 1.00 0.00 H new ATOM 459 N ASP A 413 0.581 -0.645 6.747 1.00 0.00 N ATOM 460 CA ASP A 413 -0.848 -0.873 6.751 1.00 0.00 C ATOM 461 C ASP A 413 -1.532 0.129 5.827 1.00 0.00 C ATOM 462 O ASP A 413 -1.257 1.331 5.882 1.00 0.00 O ATOM 463 CB ASP A 413 -1.364 -0.730 8.177 1.00 0.00 C ATOM 464 CG ASP A 413 -2.769 -1.267 8.365 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.726 -0.667 7.839 1.00 0.00 O ATOM 466 OD2 ASP A 413 -2.920 -2.295 9.062 1.00 0.00 O ATOM 0 H ASP A 413 0.916 -0.084 7.531 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.069 -1.877 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -0.689 -1.254 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.345 0.323 8.459 1.00 0.00 H new ATOM 471 N VAL A 414 -2.412 -0.367 4.979 1.00 0.00 N ATOM 472 CA VAL A 414 -3.032 0.453 3.950 1.00 0.00 C ATOM 473 C VAL A 414 -4.517 0.652 4.225 1.00 0.00 C ATOM 474 O VAL A 414 -5.213 -0.266 4.664 1.00 0.00 O ATOM 475 CB VAL A 414 -2.834 -0.173 2.555 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.518 0.647 1.472 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.353 -0.312 2.259 1.00 0.00 C ATOM 0 H VAL A 414 -2.717 -1.340 4.981 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.544 1.427 3.970 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.295 -1.161 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.357 0.176 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.587 0.700 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.101 1.654 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.219 -0.755 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.883 0.671 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.890 -0.953 3.010 1.00 0.00 H new ATOM 487 N ALA A 415 -4.989 1.864 3.978 1.00 0.00 N ATOM 488 CA ALA A 415 -6.380 2.204 4.200 1.00 0.00 C ATOM 489 C ALA A 415 -7.091 2.499 2.885 1.00 0.00 C ATOM 490 O ALA A 415 -6.907 3.568 2.291 1.00 0.00 O ATOM 491 CB ALA A 415 -6.483 3.397 5.135 1.00 0.00 C ATOM 0 H ALA A 415 -4.421 2.632 3.621 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.870 1.347 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.532 3.644 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.018 3.152 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.972 4.252 4.692 1.00 0.00 H new ATOM 497 N CYS A 416 -7.880 1.541 2.421 1.00 0.00 N ATOM 498 CA CYS A 416 -8.753 1.751 1.282 1.00 0.00 C ATOM 499 C CYS A 416 -10.155 2.035 1.797 1.00 0.00 C ATOM 500 O CYS A 416 -10.432 1.817 2.977 1.00 0.00 O ATOM 501 CB CYS A 416 -8.756 0.523 0.368 1.00 0.00 C ATOM 502 SG CYS A 416 -7.130 0.141 -0.366 1.00 0.00 S ATOM 0 H CYS A 416 -7.931 0.604 2.822 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.394 2.597 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.098 -0.341 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.477 0.681 -0.434 1.00 0.00 H new ATOM 507 N HIS A 417 -11.031 2.534 0.938 1.00 0.00 N ATOM 508 CA HIS A 417 -12.390 2.856 1.363 1.00 0.00 C ATOM 509 C HIS A 417 -13.153 1.579 1.689 1.00 0.00 C ATOM 510 O HIS A 417 -12.846 0.512 1.160 1.00 0.00 O ATOM 511 CB HIS A 417 -13.147 3.656 0.297 1.00 0.00 C ATOM 512 CG HIS A 417 -12.530 4.986 -0.020 1.00 0.00 C ATOM 513 ND1 HIS A 417 -12.585 5.565 -1.266 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.869 5.865 0.768 1.00 0.00 C ATOM 515 CE1 HIS A 417 -11.984 6.739 -1.233 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.541 6.950 -0.006 1.00 0.00 N ATOM 0 H HIS A 417 -10.832 2.724 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.316 3.477 2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.200 3.064 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.171 3.813 0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.641 5.736 1.816 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.873 7.414 -2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.040 7.779 0.312 1.00 0.00 H new ATOM 525 N PRO A 418 -14.149 1.687 2.578 1.00 0.00 N ATOM 526 CA PRO A 418 -14.967 0.554 3.026 1.00 0.00 C ATOM 527 C PRO A 418 -15.587 -0.205 1.863 1.00 0.00 C ATOM 528 O PRO A 418 -16.499 0.287 1.199 1.00 0.00 O ATOM 529 CB PRO A 418 -16.051 1.220 3.874 1.00 0.00 C ATOM 530 CG PRO A 418 -15.415 2.471 4.356 1.00 0.00 C ATOM 531 CD PRO A 418 -14.568 2.941 3.215 1.00 0.00 C ATOM 0 HA PRO A 418 -14.381 -0.189 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -16.945 1.428 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.356 0.582 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.164 3.216 4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -14.812 2.290 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.130 3.574 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.714 3.524 3.559 1.00 0.00 H new ATOM 539 N GLY A 419 -15.082 -1.402 1.626 1.00 0.00 N ATOM 540 CA GLY A 419 -15.529 -2.190 0.498 1.00 0.00 C ATOM 541 C GLY A 419 -14.387 -2.495 -0.446 1.00 0.00 C ATOM 542 O GLY A 419 -14.520 -3.310 -1.360 1.00 0.00 O ATOM 0 H GLY A 419 -14.365 -1.846 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.968 -3.122 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.312 -1.652 -0.037 1.00 0.00 H new ATOM 546 N TYR A 420 -13.266 -1.827 -0.225 1.00 0.00 N ATOM 547 CA TYR A 420 -12.063 -2.057 -1.004 1.00 0.00 C ATOM 548 C TYR A 420 -10.957 -2.591 -0.111 1.00 0.00 C ATOM 549 O TYR A 420 -10.811 -2.162 1.033 1.00 0.00 O ATOM 550 CB TYR A 420 -11.608 -0.765 -1.687 1.00 0.00 C ATOM 551 CG TYR A 420 -12.603 -0.234 -2.693 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.635 -0.739 -3.984 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.514 0.759 -2.353 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.542 -0.272 -4.909 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.428 1.230 -3.276 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.436 0.710 -4.552 1.00 0.00 C ATOM 557 OH TYR A 420 -15.343 1.173 -5.474 1.00 0.00 O ATOM 0 H TYR A 420 -13.166 -1.113 0.497 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.286 -2.796 -1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.430 -0.004 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.656 -0.943 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.937 -1.512 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.507 1.168 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.551 -0.675 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.132 2.001 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.903 1.864 -5.063 1.00 0.00 H new ATOM 567 N ALA A 421 -10.187 -3.524 -0.636 1.00 0.00 N ATOM 568 CA ALA A 421 -9.100 -4.132 0.109 1.00 0.00 C ATOM 569 C ALA A 421 -7.934 -4.431 -0.820 1.00 0.00 C ATOM 570 O ALA A 421 -8.015 -4.173 -2.015 1.00 0.00 O ATOM 571 CB ALA A 421 -9.583 -5.399 0.801 1.00 0.00 C ATOM 0 H ALA A 421 -10.295 -3.881 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.758 -3.435 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.759 -5.847 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.393 -5.152 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.944 -6.106 0.054 1.00 0.00 H new ATOM 577 N LEU A 422 -6.859 -4.969 -0.270 1.00 0.00 N ATOM 578 CA LEU A 422 -5.669 -5.280 -1.050 1.00 0.00 C ATOM 579 C LEU A 422 -5.710 -6.707 -1.560 1.00 0.00 C ATOM 580 O LEU A 422 -6.406 -7.560 -1.000 1.00 0.00 O ATOM 581 CB LEU A 422 -4.425 -5.091 -0.190 1.00 0.00 C ATOM 582 CG LEU A 422 -4.095 -3.644 0.161 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.101 -3.592 1.305 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.550 -2.914 -1.053 1.00 0.00 C ATOM 0 H LEU A 422 -6.784 -5.202 0.720 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.638 -4.604 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.553 -5.653 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.572 -5.526 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.012 -3.146 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.875 -2.553 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.528 -4.081 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.184 -4.105 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.320 -1.883 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.643 -3.410 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.295 -2.924 -1.848 1.00 0.00 H new ATOM 596 N PRO A 423 -4.965 -6.973 -2.642 1.00 0.00 N ATOM 597 CA PRO A 423 -4.792 -8.321 -3.183 1.00 0.00 C ATOM 598 C PRO A 423 -4.294 -9.291 -2.120 1.00 0.00 C ATOM 599 O PRO A 423 -3.524 -8.912 -1.235 1.00 0.00 O ATOM 600 CB PRO A 423 -3.739 -8.133 -4.276 1.00 0.00 C ATOM 601 CG PRO A 423 -3.880 -6.714 -4.683 1.00 0.00 C ATOM 602 CD PRO A 423 -4.240 -5.968 -3.437 1.00 0.00 C ATOM 0 HA PRO A 423 -5.726 -8.745 -3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.737 -8.342 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.913 -8.806 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.952 -6.336 -5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.652 -6.600 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.355 -5.604 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.862 -5.100 -3.653 1.00 0.00 H new ATOM 610 N LYS A 424 -4.765 -10.531 -2.211 1.00 0.00 N ATOM 611 CA LYS A 424 -4.437 -11.585 -1.250 1.00 0.00 C ATOM 612 C LYS A 424 -5.152 -11.332 0.073 1.00 0.00 C ATOM 613 O LYS A 424 -4.768 -11.869 1.113 1.00 0.00 O ATOM 614 CB LYS A 424 -2.920 -11.702 -1.033 1.00 0.00 C ATOM 615 CG LYS A 424 -2.156 -12.127 -2.281 1.00 0.00 C ATOM 616 CD LYS A 424 -0.654 -12.176 -2.039 1.00 0.00 C ATOM 617 CE LYS A 424 -0.283 -13.181 -0.960 1.00 0.00 C ATOM 618 NZ LYS A 424 -0.672 -14.570 -1.325 1.00 0.00 N ATOM 0 H LYS A 424 -5.389 -10.837 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.781 -12.533 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.535 -10.741 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.730 -12.423 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.504 -13.109 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.370 -11.431 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.146 -12.437 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.301 -11.186 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 424 0.792 -13.141 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.770 -12.903 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.267 -15.236 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.709 -14.653 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.313 -14.793 -2.275 1.00 0.00 H new ATOM 632 N ALA A 425 -6.199 -10.504 0.009 1.00 0.00 N ATOM 633 CA ALA A 425 -7.008 -10.143 1.175 1.00 0.00 C ATOM 634 C ALA A 425 -6.155 -9.504 2.265 1.00 0.00 C ATOM 635 O ALA A 425 -6.492 -9.553 3.451 1.00 0.00 O ATOM 636 CB ALA A 425 -7.749 -11.358 1.716 1.00 0.00 C ATOM 0 H ALA A 425 -6.510 -10.064 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.744 -9.407 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.343 -11.066 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.406 -11.758 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.029 -12.122 2.011 1.00 0.00 H new ATOM 642 N GLN A 426 -5.055 -8.894 1.854 1.00 0.00 N ATOM 643 CA GLN A 426 -4.127 -8.286 2.788 1.00 0.00 C ATOM 644 C GLN A 426 -4.556 -6.868 3.141 1.00 0.00 C ATOM 645 O GLN A 426 -5.317 -6.235 2.414 1.00 0.00 O ATOM 646 CB GLN A 426 -2.713 -8.274 2.197 1.00 0.00 C ATOM 647 CG GLN A 426 -2.078 -9.655 2.112 1.00 0.00 C ATOM 648 CD GLN A 426 -0.663 -9.631 1.548 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.209 -10.601 0.942 1.00 0.00 O ATOM 650 NE2 GLN A 426 0.046 -8.531 1.742 1.00 0.00 N ATOM 0 H GLN A 426 -4.784 -8.808 0.874 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.128 -8.881 3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.749 -7.837 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.079 -7.628 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.058 -10.101 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.700 -10.296 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.361 -7.745 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.999 -8.469 1.385 1.00 0.00 H new ATOM 659 N THR A 427 -4.094 -6.395 4.284 1.00 0.00 N ATOM 660 CA THR A 427 -4.295 -5.013 4.681 1.00 0.00 C ATOM 661 C THR A 427 -2.953 -4.305 4.784 1.00 0.00 C ATOM 662 O THR A 427 -2.873 -3.122 5.112 1.00 0.00 O ATOM 663 CB THR A 427 -5.036 -4.929 6.026 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.584 -5.978 6.895 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.541 -5.032 5.824 1.00 0.00 C ATOM 0 H THR A 427 -3.572 -6.953 4.959 1.00 0.00 H new ATOM 0 HA THR A 427 -4.906 -4.524 3.923 1.00 0.00 H new ATOM 0 HB THR A 427 -4.818 -3.963 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.057 -5.920 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.043 -4.970 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.879 -4.215 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.780 -5.985 5.351 1.00 0.00 H new ATOM 673 N THR A 428 -1.904 -5.052 4.484 1.00 0.00 N ATOM 674 CA THR A 428 -0.551 -4.562 4.566 1.00 0.00 C ATOM 675 C THR A 428 0.179 -4.751 3.239 1.00 0.00 C ATOM 676 O THR A 428 0.005 -5.770 2.566 1.00 0.00 O ATOM 677 CB THR A 428 0.200 -5.319 5.667 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.465 -6.564 5.937 1.00 0.00 O ATOM 679 CG2 THR A 428 0.297 -4.492 6.938 1.00 0.00 C ATOM 0 H THR A 428 -1.975 -6.022 4.175 1.00 0.00 H new ATOM 0 HA THR A 428 -0.584 -3.497 4.797 1.00 0.00 H new ATOM 0 HB THR A 428 1.214 -5.515 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.018 -7.047 6.640 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.835 -5.057 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.831 -3.565 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.705 -4.260 7.299 1.00 0.00 H new ATOM 687 N VAL A 429 0.980 -3.766 2.859 1.00 0.00 N ATOM 688 CA VAL A 429 1.797 -3.862 1.657 1.00 0.00 C ATOM 689 C VAL A 429 3.265 -3.848 2.034 1.00 0.00 C ATOM 690 O VAL A 429 3.709 -3.021 2.829 1.00 0.00 O ATOM 691 CB VAL A 429 1.514 -2.717 0.658 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.310 -2.892 -0.613 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.038 -2.633 0.322 1.00 0.00 C ATOM 0 H VAL A 429 1.082 -2.888 3.368 1.00 0.00 H new ATOM 0 HA VAL A 429 1.539 -4.800 1.165 1.00 0.00 H new ATOM 0 HB VAL A 429 1.819 -1.789 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.090 -2.072 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.374 -2.893 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.041 -3.838 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.129 -1.818 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.287 -3.572 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.532 -2.448 1.232 1.00 0.00 H new ATOM 703 N THR A 430 4.000 -4.778 1.466 1.00 0.00 N ATOM 704 CA THR A 430 5.407 -4.925 1.742 1.00 0.00 C ATOM 705 C THR A 430 6.221 -4.045 0.801 1.00 0.00 C ATOM 706 O THR A 430 6.009 -4.061 -0.409 1.00 0.00 O ATOM 707 CB THR A 430 5.810 -6.394 1.549 1.00 0.00 C ATOM 708 OG1 THR A 430 4.895 -7.238 2.256 1.00 0.00 O ATOM 709 CG2 THR A 430 7.232 -6.651 2.031 1.00 0.00 C ATOM 0 H THR A 430 3.634 -5.456 0.797 1.00 0.00 H new ATOM 0 HA THR A 430 5.604 -4.620 2.770 1.00 0.00 H new ATOM 0 HB THR A 430 5.774 -6.620 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.152 -8.176 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.484 -7.701 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.926 -6.027 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.306 -6.410 3.091 1.00 0.00 H new ATOM 717 N CYS A 431 7.128 -3.260 1.350 1.00 0.00 N ATOM 718 CA CYS A 431 8.032 -2.476 0.533 1.00 0.00 C ATOM 719 C CYS A 431 9.032 -3.382 -0.125 1.00 0.00 C ATOM 720 O CYS A 431 9.881 -3.957 0.555 1.00 0.00 O ATOM 721 CB CYS A 431 8.808 -1.460 1.359 1.00 0.00 C ATOM 722 SG CYS A 431 10.100 -0.576 0.412 1.00 0.00 S ATOM 0 H CYS A 431 7.258 -3.149 2.356 1.00 0.00 H new ATOM 0 HA CYS A 431 7.424 -1.950 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.110 -0.732 1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.273 -1.970 2.203 1.00 0.00 H new ATOM 727 N MET A 432 8.949 -3.523 -1.429 1.00 0.00 N ATOM 728 CA MET A 432 9.972 -4.245 -2.128 1.00 0.00 C ATOM 729 C MET A 432 10.292 -3.628 -3.450 1.00 0.00 C ATOM 730 O MET A 432 9.441 -3.444 -4.314 1.00 0.00 O ATOM 731 CB MET A 432 9.656 -5.716 -2.276 1.00 0.00 C ATOM 732 CG MET A 432 10.102 -6.507 -1.063 1.00 0.00 C ATOM 733 SD MET A 432 11.041 -7.996 -1.479 1.00 0.00 S ATOM 734 CE MET A 432 9.823 -8.954 -2.373 1.00 0.00 C ATOM 0 H MET A 432 8.198 -3.153 -2.012 1.00 0.00 H new ATOM 0 HA MET A 432 10.863 -4.174 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.584 -5.846 -2.421 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.148 -6.107 -3.167 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.713 -5.867 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.225 -6.791 -0.481 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.259 -9.906 -2.675 1.00 0.00 H new ATOM 0 HE2 MET A 432 8.961 -9.137 -1.731 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.506 -8.404 -3.259 1.00 0.00 H new ATOM 744 N GLU A 433 11.552 -3.295 -3.542 1.00 0.00 N ATOM 745 CA GLU A 433 12.164 -2.728 -4.737 1.00 0.00 C ATOM 746 C GLU A 433 11.382 -1.511 -5.274 1.00 0.00 C ATOM 747 O GLU A 433 11.265 -1.304 -6.481 1.00 0.00 O ATOM 748 CB GLU A 433 12.284 -3.846 -5.769 1.00 0.00 C ATOM 749 CG GLU A 433 12.925 -3.475 -7.087 1.00 0.00 C ATOM 750 CD GLU A 433 12.782 -4.593 -8.090 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.726 -4.674 -8.745 1.00 0.00 O ATOM 752 OE2 GLU A 433 13.710 -5.416 -8.197 1.00 0.00 O ATOM 0 H GLU A 433 12.209 -3.410 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 433 13.154 -2.339 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.858 -4.660 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.285 -4.234 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.463 -2.569 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.981 -3.253 -6.932 1.00 0.00 H new ATOM 759 N ASN A 434 10.848 -0.714 -4.348 1.00 0.00 N ATOM 760 CA ASN A 434 10.085 0.501 -4.679 1.00 0.00 C ATOM 761 C ASN A 434 8.843 0.125 -5.484 1.00 0.00 C ATOM 762 O ASN A 434 8.192 0.961 -6.109 1.00 0.00 O ATOM 763 CB ASN A 434 10.947 1.504 -5.471 1.00 0.00 C ATOM 764 CG ASN A 434 10.268 2.854 -5.665 1.00 0.00 C ATOM 765 OD1 ASN A 434 9.492 3.301 -4.823 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.553 3.514 -6.775 1.00 0.00 N ATOM 0 H ASN A 434 10.929 -0.888 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 434 9.784 0.981 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.893 1.652 -4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.183 1.079 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.124 4.422 -6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.201 3.115 -7.454 1.00 0.00 H new ATOM 773 N GLY A 435 8.517 -1.152 -5.454 1.00 0.00 N ATOM 774 CA GLY A 435 7.450 -1.652 -6.283 1.00 0.00 C ATOM 775 C GLY A 435 6.374 -2.336 -5.494 1.00 0.00 C ATOM 776 O GLY A 435 5.563 -3.048 -6.072 1.00 0.00 O ATOM 0 H GLY A 435 8.973 -1.852 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.014 -0.825 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.860 -2.351 -7.012 1.00 0.00 H new ATOM 780 N TRP A 436 6.368 -2.078 -4.181 1.00 0.00 N ATOM 781 CA TRP A 436 5.389 -2.619 -3.252 1.00 0.00 C ATOM 782 C TRP A 436 4.969 -4.055 -3.590 1.00 0.00 C ATOM 783 O TRP A 436 4.092 -4.275 -4.425 1.00 0.00 O ATOM 784 CB TRP A 436 4.201 -1.683 -3.231 1.00 0.00 C ATOM 785 CG TRP A 436 4.509 -0.324 -2.666 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.553 0.857 -3.349 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.826 -0.008 -1.305 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.853 1.891 -2.490 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.029 1.384 -1.234 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.952 -0.764 -0.140 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.347 2.029 -0.043 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.272 -0.122 1.039 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.465 1.261 1.079 1.00 0.00 C ATOM 0 H TRP A 436 7.059 -1.476 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 436 5.841 -2.683 -2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.824 -1.567 -4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.402 -2.138 -2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.378 0.965 -4.409 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.931 2.874 -2.749 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.802 -1.833 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.495 3.098 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.375 -0.699 1.946 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.713 1.733 2.018 1.00 0.00 H new ATOM 804 N SER A 437 5.535 -5.006 -2.854 1.00 0.00 N ATOM 805 CA SER A 437 5.513 -6.424 -3.211 1.00 0.00 C ATOM 806 C SER A 437 4.143 -6.919 -3.688 1.00 0.00 C ATOM 807 O SER A 437 4.010 -7.353 -4.833 1.00 0.00 O ATOM 808 CB SER A 437 5.979 -7.255 -2.019 1.00 0.00 C ATOM 809 OG SER A 437 7.326 -7.046 -1.746 1.00 0.00 O ATOM 0 H SER A 437 6.028 -4.814 -1.982 1.00 0.00 H new ATOM 0 HA SER A 437 6.191 -6.545 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.385 -6.999 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.808 -8.312 -2.222 1.00 0.00 H new ATOM 0 HG SER A 437 7.420 -6.303 -1.113 1.00 0.00 H new ATOM 815 N PRO A 438 3.102 -6.860 -2.840 1.00 0.00 N ATOM 816 CA PRO A 438 1.797 -7.420 -3.176 1.00 0.00 C ATOM 817 C PRO A 438 0.940 -6.473 -4.013 1.00 0.00 C ATOM 818 O PRO A 438 -0.166 -6.815 -4.427 1.00 0.00 O ATOM 819 CB PRO A 438 1.194 -7.635 -1.801 1.00 0.00 C ATOM 820 CG PRO A 438 1.687 -6.480 -1.014 1.00 0.00 C ATOM 821 CD PRO A 438 3.094 -6.256 -1.488 1.00 0.00 C ATOM 0 HA PRO A 438 1.864 -8.318 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.105 -7.656 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.516 -8.582 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.070 -5.597 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.660 -6.691 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.343 -5.195 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.820 -6.734 -0.830 1.00 0.00 H new ATOM 829 N THR A 439 1.488 -5.285 -4.240 1.00 0.00 N ATOM 830 CA THR A 439 0.876 -4.257 -5.078 1.00 0.00 C ATOM 831 C THR A 439 -0.307 -3.579 -4.381 1.00 0.00 C ATOM 832 O THR A 439 -1.324 -4.209 -4.098 1.00 0.00 O ATOM 833 CB THR A 439 0.432 -4.829 -6.441 1.00 0.00 C ATOM 834 OG1 THR A 439 1.527 -5.530 -7.047 1.00 0.00 O ATOM 835 CG2 THR A 439 -0.032 -3.718 -7.370 1.00 0.00 C ATOM 0 H THR A 439 2.384 -5.003 -3.842 1.00 0.00 H new ATOM 0 HA THR A 439 1.643 -3.502 -5.252 1.00 0.00 H new ATOM 0 HB THR A 439 -0.400 -5.512 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.244 -5.894 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.340 -4.146 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.875 -3.194 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.785 -3.016 -7.534 1.00 0.00 H new ATOM 843 N PRO A 440 -0.170 -2.280 -4.076 1.00 0.00 N ATOM 844 CA PRO A 440 -1.240 -1.488 -3.472 1.00 0.00 C ATOM 845 C PRO A 440 -2.395 -1.263 -4.437 1.00 0.00 C ATOM 846 O PRO A 440 -2.361 -0.357 -5.272 1.00 0.00 O ATOM 847 CB PRO A 440 -0.575 -0.152 -3.120 1.00 0.00 C ATOM 848 CG PRO A 440 0.890 -0.376 -3.280 1.00 0.00 C ATOM 849 CD PRO A 440 1.040 -1.480 -4.285 1.00 0.00 C ATOM 0 HA PRO A 440 -1.670 -1.993 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.923 0.644 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.816 0.149 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.387 0.532 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.347 -0.651 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.099 -1.094 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.945 -2.063 -4.113 1.00 0.00 H new ATOM 857 N ARG A 441 -3.403 -2.103 -4.328 1.00 0.00 N ATOM 858 CA ARG A 441 -4.579 -2.005 -5.169 1.00 0.00 C ATOM 859 C ARG A 441 -5.824 -2.185 -4.329 1.00 0.00 C ATOM 860 O ARG A 441 -6.021 -3.241 -3.734 1.00 0.00 O ATOM 861 CB ARG A 441 -4.567 -3.065 -6.273 1.00 0.00 C ATOM 862 CG ARG A 441 -3.534 -2.829 -7.359 1.00 0.00 C ATOM 863 CD ARG A 441 -3.652 -3.868 -8.460 1.00 0.00 C ATOM 864 NE ARG A 441 -4.994 -3.898 -9.036 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.667 -5.018 -9.306 1.00 0.00 C ATOM 866 NH1 ARG A 441 -5.133 -6.203 -9.033 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.880 -4.950 -9.838 1.00 0.00 N ATOM 0 H ARG A 441 -3.431 -2.870 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.575 -1.019 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.385 -4.040 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.555 -3.106 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.665 -1.832 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.534 -2.864 -6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.925 -3.652 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.406 -4.852 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.445 -3.007 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.204 -6.260 -8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.652 -7.056 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.298 -4.042 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -7.395 -5.806 -10.045 1.00 0.00 H new ATOM 881 N CYS A 442 -6.658 -1.164 -4.281 1.00 0.00 N ATOM 882 CA CYS A 442 -7.901 -1.246 -3.543 1.00 0.00 C ATOM 883 C CYS A 442 -8.957 -1.944 -4.390 1.00 0.00 C ATOM 884 O CYS A 442 -9.757 -1.295 -5.066 1.00 0.00 O ATOM 885 CB CYS A 442 -8.381 0.149 -3.140 1.00 0.00 C ATOM 886 SG CYS A 442 -7.171 1.100 -2.159 1.00 0.00 S ATOM 0 H CYS A 442 -6.497 -0.270 -4.744 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.733 -1.824 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.625 0.712 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.302 0.052 -2.566 1.00 0.00 H new ATOM 891 N ILE A 443 -8.931 -3.268 -4.380 1.00 0.00 N ATOM 892 CA ILE A 443 -9.883 -4.052 -5.133 1.00 0.00 C ATOM 893 C ILE A 443 -11.183 -4.209 -4.371 1.00 0.00 C ATOM 894 O ILE A 443 -11.199 -4.306 -3.144 1.00 0.00 O ATOM 895 CB ILE A 443 -9.334 -5.442 -5.502 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.547 -6.060 -4.351 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.477 -5.345 -6.736 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.097 -7.484 -4.613 1.00 0.00 C ATOM 0 H ILE A 443 -8.254 -3.820 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.069 -3.505 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.182 -6.096 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.671 -5.443 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.163 -6.043 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.092 -6.333 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.074 -4.964 -7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.643 -4.668 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.544 -7.855 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.969 -8.115 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.454 -7.506 -5.493 1.00 0.00 H new ATOM 910 N ARG A 444 -12.266 -4.218 -5.118 1.00 0.00 N ATOM 911 CA ARG A 444 -13.594 -4.298 -4.550 1.00 0.00 C ATOM 912 C ARG A 444 -13.848 -5.688 -3.989 1.00 0.00 C ATOM 913 O ARG A 444 -13.794 -6.686 -4.711 1.00 0.00 O ATOM 914 CB ARG A 444 -14.617 -3.935 -5.621 1.00 0.00 C ATOM 915 CG ARG A 444 -16.006 -3.670 -5.086 1.00 0.00 C ATOM 916 CD ARG A 444 -16.892 -3.024 -6.143 1.00 0.00 C ATOM 917 NE ARG A 444 -16.416 -1.689 -6.509 1.00 0.00 N ATOM 918 CZ ARG A 444 -15.798 -1.398 -7.657 1.00 0.00 C ATOM 919 NH1 ARG A 444 -15.619 -2.332 -8.582 1.00 0.00 N ATOM 920 NH2 ARG A 444 -15.363 -0.166 -7.877 1.00 0.00 N ATOM 0 H ARG A 444 -12.250 -4.170 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.685 -3.592 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.270 -3.050 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.668 -4.745 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.455 -4.606 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.944 -3.020 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.919 -3.656 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.914 -2.956 -5.769 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.566 -0.931 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -15.954 -3.281 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -15.146 -2.101 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -15.500 0.557 -7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -14.891 0.059 -8.753 1.00 0.00 H new ATOM 934 N VAL A 445 -14.121 -5.735 -2.697 1.00 0.00 N ATOM 935 CA VAL A 445 -14.249 -6.993 -1.978 1.00 0.00 C ATOM 936 C VAL A 445 -15.722 -7.412 -1.862 1.00 0.00 C ATOM 937 O VAL A 445 -16.087 -8.276 -1.062 1.00 0.00 O ATOM 938 CB VAL A 445 -13.588 -6.879 -0.582 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.439 -6.055 0.374 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.273 -8.253 -0.002 1.00 0.00 C ATOM 0 H VAL A 445 -14.260 -4.907 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.731 -7.769 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.642 -6.353 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.944 -5.996 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.569 -5.050 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.414 -6.527 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.810 -8.137 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.195 -8.826 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.588 -8.780 -0.666 1.00 0.00 H new