USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 437 SER OG : rot -179:sc= -4.05! USER MOD Set 2.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 396 ASN :FLIP amide:sc= -0.223 F(o=-0.97,f=-0.22) USER MOD Set 3.2: A 420 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 417 HIS :FLIP no HD1:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.708 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.625 X(o=-0.62,f=-0.16) USER MOD Single : A 400 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.6!) USER MOD Single : A 401 ASN : amide:sc= 0.255 K(o=0.25,f=-2.4!) 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= -10.2! C(o=-10!,f=-18!) USER MOD Single : A 410 LYS NZ :NH3+ -166:sc=-0.00852 (180deg=-0.191) USER MOD Single : A 411 SER OG : rot 36:sc= -0.128 USER MOD Single : A 424 LYS NZ :NH3+ 170:sc= -0.0113 (180deg=-0.129) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0386 F(o=-1.3,f=-0.039) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 ASN : amide:sc= 0.985 K(o=0.98,f=-0.31) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.357 -4.238 -2.934 1.00 0.00 N ATOM 2 CA LEU A 386 17.584 -3.230 -1.927 1.00 0.00 C ATOM 3 C LEU A 386 17.217 -1.846 -2.450 1.00 0.00 C ATOM 4 O LEU A 386 18.062 -1.115 -2.969 1.00 0.00 O ATOM 5 CB LEU A 386 19.039 -3.246 -1.503 1.00 0.00 C ATOM 6 CG LEU A 386 19.481 -4.465 -0.687 1.00 0.00 C ATOM 7 CD1 LEU A 386 20.973 -4.400 -0.397 1.00 0.00 C ATOM 8 CD2 LEU A 386 18.690 -4.557 0.610 1.00 0.00 C ATOM 0 HA LEU A 386 16.951 -3.454 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.659 -3.186 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.237 -2.349 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 386 19.282 -5.361 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 386 21.269 -5.274 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.526 -4.384 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.194 -3.496 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 386 19.018 -5.429 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 386 18.856 -3.657 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 386 17.628 -4.651 0.383 1.00 0.00 H new ATOM 20 N ARG A 387 15.952 -1.504 -2.324 1.00 0.00 N ATOM 21 CA ARG A 387 15.442 -0.223 -2.793 1.00 0.00 C ATOM 22 C ARG A 387 14.681 0.504 -1.702 1.00 0.00 C ATOM 23 O ARG A 387 14.616 0.058 -0.556 1.00 0.00 O ATOM 24 CB ARG A 387 14.507 -0.434 -3.977 1.00 0.00 C ATOM 25 CG ARG A 387 15.176 -1.067 -5.166 1.00 0.00 C ATOM 26 CD ARG A 387 14.597 -0.567 -6.477 1.00 0.00 C ATOM 27 NE ARG A 387 14.960 0.823 -6.750 1.00 0.00 N ATOM 28 CZ ARG A 387 14.400 1.563 -7.702 1.00 0.00 C ATOM 29 NH1 ARG A 387 13.414 1.066 -8.438 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.830 2.801 -7.918 1.00 0.00 N ATOM 0 H ARG A 387 15.246 -2.102 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 387 16.300 0.380 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.673 -1.061 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.089 0.527 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.245 -0.854 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.065 -2.150 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.950 -1.199 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 387 13.511 -0.658 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 387 15.686 1.250 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 387 13.085 0.115 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 387 12.986 1.635 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.589 3.183 -7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 387 14.401 3.370 -8.648 1.00 0.00 H new ATOM 44 N LYS A 388 14.123 1.636 -2.074 1.00 0.00 N ATOM 45 CA LYS A 388 13.261 2.402 -1.195 1.00 0.00 C ATOM 46 C LYS A 388 11.953 2.721 -1.905 1.00 0.00 C ATOM 47 O LYS A 388 11.927 3.495 -2.859 1.00 0.00 O ATOM 48 CB LYS A 388 13.947 3.691 -0.719 1.00 0.00 C ATOM 49 CG LYS A 388 14.710 4.458 -1.798 1.00 0.00 C ATOM 50 CD LYS A 388 16.101 3.880 -2.023 1.00 0.00 C ATOM 51 CE LYS A 388 16.963 4.000 -0.778 1.00 0.00 C ATOM 52 NZ LYS A 388 18.270 3.312 -0.936 1.00 0.00 N ATOM 0 H LYS A 388 14.254 2.053 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 388 13.050 1.799 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.191 4.350 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 388 14.640 3.440 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.148 4.428 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.794 5.506 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.018 2.832 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.582 4.400 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.133 5.053 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.431 3.576 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.826 3.419 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 18.110 2.302 -1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 18.790 3.733 -1.732 1.00 0.00 H new ATOM 66 N CYS A 389 10.881 2.090 -1.458 1.00 0.00 N ATOM 67 CA CYS A 389 9.573 2.246 -2.077 1.00 0.00 C ATOM 68 C CYS A 389 8.978 3.622 -1.826 1.00 0.00 C ATOM 69 O CYS A 389 9.162 4.216 -0.762 1.00 0.00 O ATOM 70 CB CYS A 389 8.620 1.184 -1.542 1.00 0.00 C ATOM 71 SG CYS A 389 8.602 1.077 0.264 1.00 0.00 S ATOM 0 H CYS A 389 10.891 1.457 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 389 9.708 2.130 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.612 1.400 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.901 0.214 -1.953 1.00 0.00 H new ATOM 76 N TYR A 390 8.269 4.115 -2.823 1.00 0.00 N ATOM 77 CA TYR A 390 7.478 5.320 -2.687 1.00 0.00 C ATOM 78 C TYR A 390 6.017 4.908 -2.590 1.00 0.00 C ATOM 79 O TYR A 390 5.532 4.152 -3.432 1.00 0.00 O ATOM 80 CB TYR A 390 7.703 6.233 -3.898 1.00 0.00 C ATOM 81 CG TYR A 390 7.090 7.611 -3.776 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.806 8.660 -3.215 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.800 7.866 -4.229 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.259 9.922 -3.108 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.245 9.128 -4.124 1.00 0.00 C ATOM 86 CZ TYR A 390 5.978 10.151 -3.563 1.00 0.00 C ATOM 87 OH TYR A 390 5.431 11.409 -3.456 1.00 0.00 O ATOM 0 H TYR A 390 8.226 3.691 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 390 7.769 5.873 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.776 6.341 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.294 5.746 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.809 8.485 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.223 7.066 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.831 10.726 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.242 9.311 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 390 4.523 11.403 -3.824 1.00 0.00 H new ATOM 97 N PHE A 391 5.327 5.357 -1.555 1.00 0.00 N ATOM 98 CA PHE A 391 3.938 4.967 -1.359 1.00 0.00 C ATOM 99 C PHE A 391 3.040 5.736 -2.324 1.00 0.00 C ATOM 100 O PHE A 391 2.967 6.967 -2.269 1.00 0.00 O ATOM 101 CB PHE A 391 3.505 5.206 0.090 1.00 0.00 C ATOM 102 CG PHE A 391 2.328 4.367 0.506 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.093 4.527 -0.098 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.462 3.405 1.493 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.018 3.749 0.274 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.387 2.623 1.870 1.00 0.00 C ATOM 107 CZ PHE A 391 0.164 2.796 1.257 1.00 0.00 C ATOM 0 H PHE A 391 5.700 5.986 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 391 3.843 3.901 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.345 4.995 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.255 6.259 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.970 5.271 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.419 3.264 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -0.940 3.887 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.504 1.878 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.678 2.185 1.547 1.00 0.00 H new ATOM 117 N PRO A 392 2.348 5.010 -3.217 1.00 0.00 N ATOM 118 CA PRO A 392 1.542 5.608 -4.278 1.00 0.00 C ATOM 119 C PRO A 392 0.133 5.987 -3.831 1.00 0.00 C ATOM 120 O PRO A 392 -0.244 5.814 -2.670 1.00 0.00 O ATOM 121 CB PRO A 392 1.493 4.489 -5.313 1.00 0.00 C ATOM 122 CG PRO A 392 1.488 3.239 -4.503 1.00 0.00 C ATOM 123 CD PRO A 392 2.297 3.534 -3.265 1.00 0.00 C ATOM 0 HA PRO A 392 1.965 6.547 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.602 4.563 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.354 4.527 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.470 2.949 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.922 2.411 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.827 3.121 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.296 3.102 -3.328 1.00 0.00 H new ATOM 131 N TYR A 393 -0.632 6.516 -4.773 1.00 0.00 N ATOM 132 CA TYR A 393 -1.979 6.990 -4.508 1.00 0.00 C ATOM 133 C TYR A 393 -2.969 5.832 -4.493 1.00 0.00 C ATOM 134 O TYR A 393 -3.013 5.025 -5.425 1.00 0.00 O ATOM 135 CB TYR A 393 -2.369 8.024 -5.572 1.00 0.00 C ATOM 136 CG TYR A 393 -3.821 8.457 -5.528 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.243 9.460 -4.665 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.764 7.864 -6.358 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.568 9.857 -4.628 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.088 8.253 -6.328 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.484 9.251 -5.464 1.00 0.00 C ATOM 142 OH TYR A 393 -7.805 9.636 -5.430 1.00 0.00 O ATOM 0 H TYR A 393 -0.335 6.628 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.006 7.458 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.737 8.904 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.157 7.610 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.526 9.937 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.456 7.085 -7.039 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.883 10.636 -3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.809 7.778 -6.977 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.316 9.111 -6.082 1.00 0.00 H new ATOM 152 N LEU A 394 -3.760 5.757 -3.433 1.00 0.00 N ATOM 153 CA LEU A 394 -4.777 4.724 -3.313 1.00 0.00 C ATOM 154 C LEU A 394 -6.075 5.225 -3.920 1.00 0.00 C ATOM 155 O LEU A 394 -6.771 6.048 -3.319 1.00 0.00 O ATOM 156 CB LEU A 394 -5.035 4.324 -1.847 1.00 0.00 C ATOM 157 CG LEU A 394 -3.818 3.892 -1.017 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.930 2.945 -1.809 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.037 5.101 -0.518 1.00 0.00 C ATOM 0 H LEU A 394 -3.717 6.400 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.412 3.843 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.506 5.168 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.756 3.507 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.180 3.353 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.075 2.653 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.499 2.057 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.579 3.445 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.181 4.765 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.688 5.685 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.683 5.719 0.106 1.00 0.00 H new ATOM 171 N GLU A 395 -6.386 4.759 -5.115 1.00 0.00 N ATOM 172 CA GLU A 395 -7.639 5.114 -5.753 1.00 0.00 C ATOM 173 C GLU A 395 -8.775 4.410 -5.027 1.00 0.00 C ATOM 174 O GLU A 395 -8.825 3.178 -4.993 1.00 0.00 O ATOM 175 CB GLU A 395 -7.617 4.733 -7.232 1.00 0.00 C ATOM 176 CG GLU A 395 -8.797 5.279 -8.017 1.00 0.00 C ATOM 177 CD GLU A 395 -8.705 4.963 -9.491 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.973 5.670 -10.210 1.00 0.00 O ATOM 179 OE2 GLU A 395 -9.364 4.001 -9.940 1.00 0.00 O ATOM 0 H GLU A 395 -5.791 4.136 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.787 6.192 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -6.693 5.099 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -7.605 3.647 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.721 4.862 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -8.850 6.359 -7.883 1.00 0.00 H new ATOM 186 N ASN A 396 -9.664 5.208 -4.435 1.00 0.00 N ATOM 187 CA ASN A 396 -10.736 4.714 -3.570 1.00 0.00 C ATOM 188 C ASN A 396 -10.156 4.232 -2.245 1.00 0.00 C ATOM 189 O ASN A 396 -10.709 3.353 -1.577 1.00 0.00 O ATOM 190 CB ASN A 396 -11.556 3.605 -4.238 1.00 0.00 C ATOM 191 CG ASN A 396 -12.314 4.100 -5.452 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.723 3.941 -6.625 1.00 0.00 O flip ATOM 193 ND2 ASN A 396 -13.432 4.608 -5.337 1.00 0.00 N flip ATOM 0 H ASN A 396 -9.661 6.222 -4.543 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.418 5.543 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.891 2.793 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.261 3.193 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.852 4.712 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.936 4.924 -6.165 1.00 0.00 H new ATOM 200 N GLY A 397 -9.041 4.834 -1.865 1.00 0.00 N ATOM 201 CA GLY A 397 -8.405 4.520 -0.607 1.00 0.00 C ATOM 202 C GLY A 397 -7.958 5.771 0.115 1.00 0.00 C ATOM 203 O GLY A 397 -7.889 6.845 -0.483 1.00 0.00 O ATOM 0 H GLY A 397 -8.560 5.545 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.098 3.963 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.545 3.874 -0.784 1.00 0.00 H new ATOM 207 N TYR A 398 -7.664 5.647 1.398 1.00 0.00 N ATOM 208 CA TYR A 398 -7.205 6.780 2.172 1.00 0.00 C ATOM 209 C TYR A 398 -5.723 6.999 1.925 1.00 0.00 C ATOM 210 O TYR A 398 -4.875 6.318 2.505 1.00 0.00 O ATOM 211 CB TYR A 398 -7.482 6.560 3.662 1.00 0.00 C ATOM 212 CG TYR A 398 -8.955 6.517 4.001 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.665 7.687 4.228 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.636 5.309 4.082 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.011 7.655 4.532 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.983 5.269 4.382 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.665 6.443 4.605 1.00 0.00 C ATOM 218 OH TYR A 398 -13.007 6.407 4.897 1.00 0.00 O ATOM 0 H TYR A 398 -7.736 4.775 1.922 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.749 7.671 1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.017 5.625 3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.009 7.359 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.157 8.638 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.103 4.386 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.549 8.574 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.498 4.322 4.441 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.314 5.477 4.909 1.00 0.00 H new ATOM 228 N ASN A 399 -5.417 7.954 1.057 1.00 0.00 N ATOM 229 CA ASN A 399 -4.040 8.230 0.658 1.00 0.00 C ATOM 230 C ASN A 399 -3.290 9.025 1.725 1.00 0.00 C ATOM 231 O ASN A 399 -2.561 9.967 1.422 1.00 0.00 O ATOM 232 CB ASN A 399 -4.000 8.965 -0.691 1.00 0.00 C ATOM 233 CG ASN A 399 -4.968 10.131 -0.767 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.635 11.257 -0.410 1.00 0.00 O ATOM 235 ND2 ASN A 399 -6.173 9.864 -1.245 1.00 0.00 N ATOM 0 H ASN A 399 -6.109 8.556 0.611 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.535 7.270 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.988 9.329 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -4.229 8.259 -1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.865 10.608 -1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.409 8.914 -1.531 1.00 0.00 H new ATOM 242 N GLN A 400 -3.458 8.614 2.974 1.00 0.00 N ATOM 243 CA GLN A 400 -2.746 9.207 4.093 1.00 0.00 C ATOM 244 C GLN A 400 -1.258 8.915 3.964 1.00 0.00 C ATOM 245 O GLN A 400 -0.408 9.686 4.406 1.00 0.00 O ATOM 246 CB GLN A 400 -3.255 8.601 5.397 1.00 0.00 C ATOM 247 CG GLN A 400 -4.762 8.667 5.569 1.00 0.00 C ATOM 248 CD GLN A 400 -5.272 7.579 6.491 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.699 6.489 6.556 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.348 7.858 7.208 1.00 0.00 N ATOM 0 H GLN A 400 -4.092 7.860 3.238 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.912 10.284 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.940 7.559 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.782 9.117 6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.040 9.642 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.243 8.573 4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.793 8.772 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.733 7.159 7.843 1.00 0.00 H new ATOM 259 N ASN A 401 -0.960 7.779 3.348 1.00 0.00 N ATOM 260 CA ASN A 401 0.408 7.306 3.231 1.00 0.00 C ATOM 261 C ASN A 401 1.015 7.694 1.892 1.00 0.00 C ATOM 262 O ASN A 401 2.208 7.508 1.673 1.00 0.00 O ATOM 263 CB ASN A 401 0.467 5.784 3.399 1.00 0.00 C ATOM 264 CG ASN A 401 -0.126 5.310 4.712 1.00 0.00 C ATOM 265 OD1 ASN A 401 -0.097 6.026 5.715 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.668 4.101 4.714 1.00 0.00 N ATOM 0 H ASN A 401 -1.654 7.166 2.920 1.00 0.00 H new ATOM 0 HA ASN A 401 0.987 7.779 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.067 5.312 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.505 5.457 3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -1.083 3.730 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.670 3.542 3.861 1.00 0.00 H new ATOM 273 N TYR A 402 0.198 8.242 1.001 1.00 0.00 N ATOM 274 CA TYR A 402 0.673 8.633 -0.318 1.00 0.00 C ATOM 275 C TYR A 402 1.710 9.742 -0.198 1.00 0.00 C ATOM 276 O TYR A 402 1.447 10.793 0.389 1.00 0.00 O ATOM 277 CB TYR A 402 -0.501 9.068 -1.202 1.00 0.00 C ATOM 278 CG TYR A 402 -0.095 9.644 -2.543 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.885 9.035 -3.311 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.705 10.785 -3.046 1.00 0.00 C ATOM 281 CE1 TYR A 402 1.252 9.543 -4.538 1.00 0.00 C ATOM 282 CE2 TYR A 402 -0.342 11.303 -4.276 1.00 0.00 C ATOM 283 CZ TYR A 402 0.635 10.675 -5.018 1.00 0.00 C ATOM 284 OH TYR A 402 1.000 11.181 -6.245 1.00 0.00 O ATOM 0 H TYR A 402 -0.792 8.425 1.167 1.00 0.00 H new ATOM 0 HA TYR A 402 1.149 7.773 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.151 8.209 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -1.089 9.811 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 402 1.371 8.144 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -1.474 11.276 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 402 2.020 9.055 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -0.821 12.194 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 402 0.470 11.982 -6.439 1.00 0.00 H new ATOM 294 N GLY A 403 2.893 9.483 -0.733 1.00 0.00 N ATOM 295 CA GLY A 403 3.975 10.440 -0.643 1.00 0.00 C ATOM 296 C GLY A 403 5.069 9.977 0.297 1.00 0.00 C ATOM 297 O GLY A 403 6.153 10.560 0.339 1.00 0.00 O ATOM 0 H GLY A 403 3.124 8.623 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.396 10.605 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.584 11.398 -0.299 1.00 0.00 H new ATOM 301 N ARG A 404 4.789 8.922 1.050 1.00 0.00 N ATOM 302 CA ARG A 404 5.751 8.396 2.011 1.00 0.00 C ATOM 303 C ARG A 404 6.760 7.484 1.338 1.00 0.00 C ATOM 304 O ARG A 404 6.576 7.060 0.197 1.00 0.00 O ATOM 305 CB ARG A 404 5.044 7.635 3.131 1.00 0.00 C ATOM 306 CG ARG A 404 4.203 8.524 4.018 1.00 0.00 C ATOM 307 CD ARG A 404 3.367 7.713 4.991 1.00 0.00 C ATOM 308 NE ARG A 404 4.144 7.154 6.092 1.00 0.00 N ATOM 309 CZ ARG A 404 3.595 6.610 7.178 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.273 6.508 7.273 1.00 0.00 N ATOM 311 NH2 ARG A 404 4.361 6.151 8.158 1.00 0.00 N ATOM 0 H ARG A 404 3.905 8.414 1.015 1.00 0.00 H new ATOM 0 HA ARG A 404 6.280 9.249 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.409 6.865 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.789 7.125 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 404 4.851 9.203 4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.549 9.140 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 404 2.578 8.346 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 404 2.879 6.902 4.451 1.00 0.00 H new ATOM 0 HE ARG A 404 5.162 7.181 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 404 1.680 6.846 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.852 6.092 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 404 5.376 6.213 8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 404 3.935 5.736 8.987 1.00 0.00 H new ATOM 325 N LYS A 405 7.822 7.188 2.062 1.00 0.00 N ATOM 326 CA LYS A 405 8.886 6.335 1.572 1.00 0.00 C ATOM 327 C LYS A 405 9.329 5.355 2.649 1.00 0.00 C ATOM 328 O LYS A 405 9.483 5.723 3.815 1.00 0.00 O ATOM 329 CB LYS A 405 10.062 7.192 1.123 1.00 0.00 C ATOM 330 CG LYS A 405 9.875 7.788 -0.263 1.00 0.00 C ATOM 331 CD LYS A 405 10.935 8.830 -0.588 1.00 0.00 C ATOM 332 CE LYS A 405 10.836 10.040 0.331 1.00 0.00 C ATOM 333 NZ LYS A 405 11.823 11.092 -0.027 1.00 0.00 N ATOM 0 H LYS A 405 7.971 7.534 3.010 1.00 0.00 H new ATOM 0 HA LYS A 405 8.514 5.761 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.210 7.999 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.968 6.587 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.910 6.992 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.887 8.244 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.925 8.383 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.825 9.150 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.829 10.454 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.998 9.726 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.722 11.898 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.785 10.705 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 11.653 11.410 -1.002 1.00 0.00 H new ATOM 347 N PHE A 406 9.525 4.109 2.254 1.00 0.00 N ATOM 348 CA PHE A 406 9.896 3.058 3.193 1.00 0.00 C ATOM 349 C PHE A 406 11.071 2.258 2.647 1.00 0.00 C ATOM 350 O PHE A 406 11.283 2.193 1.433 1.00 0.00 O ATOM 351 CB PHE A 406 8.705 2.121 3.462 1.00 0.00 C ATOM 352 CG PHE A 406 7.463 2.836 3.929 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.580 3.396 3.018 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.182 2.955 5.280 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.444 4.056 3.445 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.045 3.613 5.712 1.00 0.00 C ATOM 357 CZ PHE A 406 5.177 4.166 4.793 1.00 0.00 C ATOM 0 H PHE A 406 9.434 3.797 1.287 1.00 0.00 H new ATOM 0 HA PHE A 406 10.187 3.527 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.475 1.570 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.995 1.387 4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.783 3.315 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.859 2.529 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.765 4.486 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.836 3.694 6.769 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.291 4.684 5.129 1.00 0.00 H new ATOM 367 N VAL A 407 11.850 1.679 3.550 1.00 0.00 N ATOM 368 CA VAL A 407 12.954 0.818 3.158 1.00 0.00 C ATOM 369 C VAL A 407 12.450 -0.569 2.787 1.00 0.00 C ATOM 370 O VAL A 407 11.551 -1.113 3.427 1.00 0.00 O ATOM 371 CB VAL A 407 14.019 0.695 4.270 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.781 1.999 4.422 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.388 0.287 5.593 1.00 0.00 C ATOM 0 H VAL A 407 11.737 1.790 4.558 1.00 0.00 H new ATOM 0 HA VAL A 407 13.421 1.283 2.290 1.00 0.00 H new ATOM 0 HB VAL A 407 14.721 -0.086 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.527 1.895 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.277 2.242 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.087 2.798 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.162 0.208 6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.656 1.037 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 407 12.893 -0.677 5.478 1.00 0.00 H new ATOM 383 N GLN A 408 13.022 -1.117 1.732 1.00 0.00 N ATOM 384 CA GLN A 408 12.651 -2.433 1.237 1.00 0.00 C ATOM 385 C GLN A 408 12.921 -3.516 2.271 1.00 0.00 C ATOM 386 O GLN A 408 13.977 -3.546 2.904 1.00 0.00 O ATOM 387 CB GLN A 408 13.422 -2.689 -0.034 1.00 0.00 C ATOM 388 CG GLN A 408 13.039 -3.935 -0.785 1.00 0.00 C ATOM 389 CD GLN A 408 13.418 -3.753 -2.224 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.373 -2.644 -2.717 1.00 0.00 O ATOM 391 NE2 GLN A 408 13.799 -4.800 -2.913 1.00 0.00 N ATOM 0 H GLN A 408 13.758 -0.663 1.192 1.00 0.00 H new ATOM 0 HA GLN A 408 11.580 -2.460 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.292 -1.833 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.483 -2.745 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.548 -4.803 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.968 -4.119 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.827 -5.719 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.068 -4.696 -3.891 1.00 0.00 H new ATOM 400 N GLY A 409 11.957 -4.408 2.424 1.00 0.00 N ATOM 401 CA GLY A 409 12.016 -5.398 3.475 1.00 0.00 C ATOM 402 C GLY A 409 11.168 -4.970 4.646 1.00 0.00 C ATOM 403 O GLY A 409 11.381 -5.394 5.782 1.00 0.00 O ATOM 0 H GLY A 409 11.128 -4.464 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.668 -6.360 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.048 -5.536 3.796 1.00 0.00 H new ATOM 407 N LYS A 410 10.218 -4.098 4.359 1.00 0.00 N ATOM 408 CA LYS A 410 9.334 -3.545 5.361 1.00 0.00 C ATOM 409 C LYS A 410 7.893 -3.732 4.934 1.00 0.00 C ATOM 410 O LYS A 410 7.631 -4.187 3.828 1.00 0.00 O ATOM 411 CB LYS A 410 9.643 -2.061 5.540 1.00 0.00 C ATOM 412 CG LYS A 410 10.519 -1.755 6.744 1.00 0.00 C ATOM 413 CD LYS A 410 9.855 -2.180 8.044 1.00 0.00 C ATOM 414 CE LYS A 410 10.792 -2.025 9.232 1.00 0.00 C ATOM 415 NZ LYS A 410 11.933 -2.976 9.167 1.00 0.00 N ATOM 0 H LYS A 410 10.040 -3.753 3.416 1.00 0.00 H new ATOM 0 HA LYS A 410 9.486 -4.061 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.136 -1.692 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.705 -1.514 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.475 -2.268 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.733 -0.687 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.959 -1.582 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.535 -3.219 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.172 -1.004 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.237 -2.187 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.411 -3.009 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.581 -3.924 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.607 -2.661 8.440 1.00 0.00 H new ATOM 429 N SER A 411 6.967 -3.390 5.807 1.00 0.00 N ATOM 430 CA SER A 411 5.557 -3.470 5.484 1.00 0.00 C ATOM 431 C SER A 411 4.807 -2.328 6.150 1.00 0.00 C ATOM 432 O SER A 411 5.330 -1.673 7.061 1.00 0.00 O ATOM 433 CB SER A 411 4.988 -4.824 5.916 1.00 0.00 C ATOM 434 OG SER A 411 3.636 -4.977 5.516 1.00 0.00 O ATOM 0 H SER A 411 7.167 -3.053 6.749 1.00 0.00 H new ATOM 0 HA SER A 411 5.433 -3.381 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.588 -5.625 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.060 -4.920 6.999 1.00 0.00 H new ATOM 0 HG SER A 411 3.501 -4.545 4.647 1.00 0.00 H new ATOM 440 N ILE A 412 3.599 -2.077 5.682 1.00 0.00 N ATOM 441 CA ILE A 412 2.800 -0.975 6.194 1.00 0.00 C ATOM 442 C ILE A 412 1.327 -1.188 5.849 1.00 0.00 C ATOM 443 O ILE A 412 0.991 -1.766 4.812 1.00 0.00 O ATOM 444 CB ILE A 412 3.333 0.377 5.643 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.932 1.552 6.541 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.876 0.606 4.212 1.00 0.00 C ATOM 447 CD1 ILE A 412 1.615 2.181 6.185 1.00 0.00 C ATOM 0 H ILE A 412 3.147 -2.621 4.947 1.00 0.00 H new ATOM 0 HA ILE A 412 2.884 -0.943 7.280 1.00 0.00 H new ATOM 0 HB ILE A 412 4.421 0.320 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.889 1.206 7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 412 3.710 2.314 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.264 1.560 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.249 -0.199 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.787 0.622 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.408 3.004 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.657 2.560 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 412 0.823 1.436 6.263 1.00 0.00 H new ATOM 459 N ASP A 413 0.466 -0.750 6.755 1.00 0.00 N ATOM 460 CA ASP A 413 -0.973 -0.970 6.652 1.00 0.00 C ATOM 461 C ASP A 413 -1.623 0.043 5.716 1.00 0.00 C ATOM 462 O ASP A 413 -1.300 1.231 5.744 1.00 0.00 O ATOM 463 CB ASP A 413 -1.593 -0.867 8.041 1.00 0.00 C ATOM 464 CG ASP A 413 -3.091 -1.093 8.060 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.852 -0.121 7.856 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.517 -2.238 8.323 1.00 0.00 O ATOM 0 H ASP A 413 0.745 -0.229 7.587 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.145 -1.964 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.117 -1.596 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.378 0.119 8.452 1.00 0.00 H new ATOM 471 N VAL A 414 -2.547 -0.429 4.901 1.00 0.00 N ATOM 472 CA VAL A 414 -3.221 0.420 3.930 1.00 0.00 C ATOM 473 C VAL A 414 -4.719 0.440 4.190 1.00 0.00 C ATOM 474 O VAL A 414 -5.379 -0.601 4.158 1.00 0.00 O ATOM 475 CB VAL A 414 -2.966 -0.056 2.487 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.622 0.881 1.482 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.476 -0.174 2.217 1.00 0.00 C ATOM 0 H VAL A 414 -2.851 -1.402 4.890 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.814 1.425 4.042 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.414 -1.043 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.428 0.524 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.698 0.907 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.211 1.884 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.317 -0.511 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.003 0.798 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.037 -0.893 2.908 1.00 0.00 H new ATOM 487 N ALA A 415 -5.251 1.621 4.458 1.00 0.00 N ATOM 488 CA ALA A 415 -6.667 1.770 4.737 1.00 0.00 C ATOM 489 C ALA A 415 -7.416 2.286 3.514 1.00 0.00 C ATOM 490 O ALA A 415 -7.298 3.455 3.143 1.00 0.00 O ATOM 491 CB ALA A 415 -6.879 2.700 5.922 1.00 0.00 C ATOM 0 H ALA A 415 -4.721 2.492 4.488 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.067 0.788 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.946 2.801 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.386 2.287 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.457 3.679 5.696 1.00 0.00 H new ATOM 497 N CYS A 416 -8.167 1.406 2.878 1.00 0.00 N ATOM 498 CA CYS A 416 -9.025 1.791 1.773 1.00 0.00 C ATOM 499 C CYS A 416 -10.427 2.061 2.302 1.00 0.00 C ATOM 500 O CYS A 416 -10.696 1.820 3.479 1.00 0.00 O ATOM 501 CB CYS A 416 -9.050 0.680 0.723 1.00 0.00 C ATOM 502 SG CYS A 416 -7.394 0.178 0.145 1.00 0.00 S ATOM 0 H CYS A 416 -8.200 0.413 3.110 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.641 2.697 1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.559 -0.190 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.638 1.014 -0.132 1.00 0.00 H new ATOM 507 N HIS A 417 -11.318 2.572 1.461 1.00 0.00 N ATOM 508 CA HIS A 417 -12.692 2.805 1.896 1.00 0.00 C ATOM 509 C HIS A 417 -13.427 1.477 2.021 1.00 0.00 C ATOM 510 O HIS A 417 -13.042 0.486 1.403 1.00 0.00 O ATOM 511 CB HIS A 417 -13.461 3.718 0.935 1.00 0.00 C ATOM 512 CG HIS A 417 -12.953 5.126 0.869 1.00 0.00 C ATOM 513 ND1 HIS A 417 -11.950 5.674 0.150 1.00 0.00 N flip ATOM 514 CD2 HIS A 417 -13.513 6.161 1.584 1.00 0.00 C flip ATOM 515 CE1 HIS A 417 -11.921 7.018 0.431 1.00 0.00 C flip ATOM 516 NE2 HIS A 417 -12.877 7.283 1.302 1.00 0.00 N flip ATOM 0 H HIS A 417 -11.122 2.829 0.494 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.642 3.305 2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.423 3.285 -0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.509 3.738 1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.343 6.069 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.233 7.736 0.011 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -13.089 8.201 1.692 1.00 0.00 H new ATOM 525 N PRO A 418 -14.487 1.450 2.835 1.00 0.00 N ATOM 526 CA PRO A 418 -15.322 0.262 3.035 1.00 0.00 C ATOM 527 C PRO A 418 -15.860 -0.285 1.719 1.00 0.00 C ATOM 528 O PRO A 418 -16.677 0.352 1.050 1.00 0.00 O ATOM 529 CB PRO A 418 -16.466 0.779 3.908 1.00 0.00 C ATOM 530 CG PRO A 418 -15.888 1.946 4.617 1.00 0.00 C ATOM 531 CD PRO A 418 -14.966 2.587 3.627 1.00 0.00 C ATOM 0 HA PRO A 418 -14.767 -0.562 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.328 1.067 3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.807 0.017 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.667 2.639 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.350 1.636 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.485 3.319 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.146 3.109 4.119 1.00 0.00 H new ATOM 539 N GLY A 419 -15.384 -1.459 1.355 1.00 0.00 N ATOM 540 CA GLY A 419 -15.759 -2.061 0.093 1.00 0.00 C ATOM 541 C GLY A 419 -14.553 -2.238 -0.798 1.00 0.00 C ATOM 542 O GLY A 419 -14.610 -2.918 -1.824 1.00 0.00 O ATOM 0 H GLY A 419 -14.737 -2.014 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.229 -3.028 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.498 -1.435 -0.408 1.00 0.00 H new ATOM 546 N TYR A 420 -13.458 -1.612 -0.395 1.00 0.00 N ATOM 547 CA TYR A 420 -12.199 -1.722 -1.107 1.00 0.00 C ATOM 548 C TYR A 420 -11.147 -2.334 -0.199 1.00 0.00 C ATOM 549 O TYR A 420 -11.125 -2.063 1.003 1.00 0.00 O ATOM 550 CB TYR A 420 -11.737 -0.350 -1.597 1.00 0.00 C ATOM 551 CG TYR A 420 -12.725 0.313 -2.530 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.786 -0.046 -3.871 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.609 1.281 -2.070 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.695 0.545 -4.728 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.522 1.876 -2.919 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.563 1.504 -4.247 1.00 0.00 C ATOM 557 OH TYR A 420 -15.472 2.091 -5.097 1.00 0.00 O ATOM 0 H TYR A 420 -13.419 -1.016 0.432 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.343 -2.366 -1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.568 0.298 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.780 -0.457 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.112 -0.800 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.582 1.573 -1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.726 0.258 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.200 2.629 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.009 2.744 -4.601 1.00 0.00 H new ATOM 567 N ALA A 421 -10.286 -3.153 -0.774 1.00 0.00 N ATOM 568 CA ALA A 421 -9.272 -3.856 -0.010 1.00 0.00 C ATOM 569 C ALA A 421 -8.093 -4.217 -0.897 1.00 0.00 C ATOM 570 O ALA A 421 -8.200 -4.198 -2.124 1.00 0.00 O ATOM 571 CB ALA A 421 -9.859 -5.109 0.622 1.00 0.00 C ATOM 0 H ALA A 421 -10.269 -3.349 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.920 -3.197 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.086 -5.625 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.677 -4.832 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.235 -5.769 -0.160 1.00 0.00 H new ATOM 577 N LEU A 422 -6.980 -4.553 -0.267 1.00 0.00 N ATOM 578 CA LEU A 422 -5.766 -4.912 -0.982 1.00 0.00 C ATOM 579 C LEU A 422 -5.882 -6.292 -1.607 1.00 0.00 C ATOM 580 O LEU A 422 -6.699 -7.114 -1.181 1.00 0.00 O ATOM 581 CB LEU A 422 -4.573 -4.894 -0.032 1.00 0.00 C ATOM 582 CG LEU A 422 -4.150 -3.512 0.466 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.094 -3.645 1.547 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.624 -2.667 -0.683 1.00 0.00 C ATOM 0 H LEU A 422 -6.892 -4.585 0.749 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.620 -4.179 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.809 -5.516 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.723 -5.356 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.024 -3.015 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.801 -2.654 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.498 -4.217 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.223 -4.160 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.328 -1.687 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.761 -3.160 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.405 -2.548 -1.434 1.00 0.00 H new ATOM 596 N PRO A 423 -5.055 -6.553 -2.625 1.00 0.00 N ATOM 597 CA PRO A 423 -4.976 -7.861 -3.264 1.00 0.00 C ATOM 598 C PRO A 423 -4.622 -8.952 -2.265 1.00 0.00 C ATOM 599 O PRO A 423 -3.927 -8.696 -1.275 1.00 0.00 O ATOM 600 CB PRO A 423 -3.856 -7.699 -4.295 1.00 0.00 C ATOM 601 CG PRO A 423 -3.749 -6.233 -4.519 1.00 0.00 C ATOM 602 CD PRO A 423 -4.130 -5.586 -3.229 1.00 0.00 C ATOM 0 HA PRO A 423 -5.927 -8.160 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.917 -8.112 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.093 -8.224 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.735 -5.956 -4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.409 -5.913 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.261 -5.411 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.607 -4.619 -3.390 1.00 0.00 H new ATOM 610 N LYS A 424 -5.123 -10.156 -2.528 1.00 0.00 N ATOM 611 CA LYS A 424 -4.892 -11.323 -1.671 1.00 0.00 C ATOM 612 C LYS A 424 -5.610 -11.169 -0.332 1.00 0.00 C ATOM 613 O LYS A 424 -5.296 -11.872 0.632 1.00 0.00 O ATOM 614 CB LYS A 424 -3.390 -11.545 -1.433 1.00 0.00 C ATOM 615 CG LYS A 424 -2.591 -11.806 -2.702 1.00 0.00 C ATOM 616 CD LYS A 424 -1.095 -11.853 -2.421 1.00 0.00 C ATOM 617 CE LYS A 424 -0.724 -12.978 -1.463 1.00 0.00 C ATOM 618 NZ LYS A 424 -1.059 -14.317 -2.020 1.00 0.00 N ATOM 0 H LYS A 424 -5.703 -10.354 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.296 -12.193 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.979 -10.669 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.261 -12.389 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.909 -12.750 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.801 -11.024 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.555 -11.984 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.776 -10.900 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 424 0.343 -12.932 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.248 -12.837 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.641 -15.057 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.092 -14.434 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.678 -14.397 -2.984 1.00 0.00 H new ATOM 632 N ALA A 425 -6.577 -10.247 -0.291 1.00 0.00 N ATOM 633 CA ALA A 425 -7.327 -9.937 0.927 1.00 0.00 C ATOM 634 C ALA A 425 -6.389 -9.522 2.058 1.00 0.00 C ATOM 635 O ALA A 425 -6.615 -9.845 3.224 1.00 0.00 O ATOM 636 CB ALA A 425 -8.193 -11.119 1.342 1.00 0.00 C ATOM 0 H ALA A 425 -6.861 -9.696 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.984 -9.094 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.742 -10.867 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.898 -11.351 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.560 -11.986 1.530 1.00 0.00 H new ATOM 642 N GLN A 426 -5.337 -8.800 1.701 1.00 0.00 N ATOM 643 CA GLN A 426 -4.340 -8.367 2.666 1.00 0.00 C ATOM 644 C GLN A 426 -4.651 -6.963 3.175 1.00 0.00 C ATOM 645 O GLN A 426 -5.428 -6.227 2.565 1.00 0.00 O ATOM 646 CB GLN A 426 -2.950 -8.390 2.031 1.00 0.00 C ATOM 647 CG GLN A 426 -2.425 -9.790 1.752 1.00 0.00 C ATOM 648 CD GLN A 426 -1.102 -9.786 1.010 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.905 -8.798 0.150 1.00 0.00 O flip ATOM 650 NE2 GLN A 426 -0.270 -10.675 1.191 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.152 -8.501 0.744 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.362 -9.055 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.979 -7.830 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.251 -7.875 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.305 -10.323 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.163 -10.340 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.457 -11.420 1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.607 -10.667 0.670 1.00 0.00 H new ATOM 659 N THR A 427 -4.048 -6.609 4.301 1.00 0.00 N ATOM 660 CA THR A 427 -4.204 -5.282 4.878 1.00 0.00 C ATOM 661 C THR A 427 -2.870 -4.541 4.881 1.00 0.00 C ATOM 662 O THR A 427 -2.808 -3.335 5.117 1.00 0.00 O ATOM 663 CB THR A 427 -4.735 -5.375 6.319 1.00 0.00 C ATOM 664 OG1 THR A 427 -3.935 -6.301 7.069 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.191 -5.815 6.334 1.00 0.00 C ATOM 0 H THR A 427 -3.441 -7.229 4.837 1.00 0.00 H new ATOM 0 HA THR A 427 -4.921 -4.734 4.267 1.00 0.00 H new ATOM 0 HB THR A 427 -4.673 -4.387 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.274 -6.357 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.543 -5.873 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.795 -5.093 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.280 -6.795 5.864 1.00 0.00 H new ATOM 673 N THR A 428 -1.805 -5.279 4.599 1.00 0.00 N ATOM 674 CA THR A 428 -0.464 -4.741 4.637 1.00 0.00 C ATOM 675 C THR A 428 0.252 -4.952 3.303 1.00 0.00 C ATOM 676 O THR A 428 0.068 -5.979 2.646 1.00 0.00 O ATOM 677 CB THR A 428 0.334 -5.421 5.757 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.376 -6.582 6.215 1.00 0.00 O ATOM 679 CG2 THR A 428 0.576 -4.471 6.921 1.00 0.00 C ATOM 0 H THR A 428 -1.852 -6.264 4.339 1.00 0.00 H new ATOM 0 HA THR A 428 -0.532 -3.670 4.827 1.00 0.00 H new ATOM 0 HB THR A 428 1.304 -5.715 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.135 -7.017 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.144 -4.984 7.697 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.138 -3.605 6.573 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.381 -4.143 7.328 1.00 0.00 H new ATOM 687 N VAL A 429 1.048 -3.970 2.903 1.00 0.00 N ATOM 688 CA VAL A 429 1.856 -4.078 1.698 1.00 0.00 C ATOM 689 C VAL A 429 3.325 -4.084 2.069 1.00 0.00 C ATOM 690 O VAL A 429 3.788 -3.242 2.843 1.00 0.00 O ATOM 691 CB VAL A 429 1.591 -2.920 0.708 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.260 -3.183 -0.627 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.102 -2.694 0.518 1.00 0.00 C ATOM 0 H VAL A 429 1.151 -3.085 3.399 1.00 0.00 H new ATOM 0 HA VAL A 429 1.580 -5.010 1.205 1.00 0.00 H new ATOM 0 HB VAL A 429 2.022 -2.015 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.058 -2.354 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.336 -3.279 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.868 -4.105 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.055 -1.874 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.356 -3.601 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.353 -2.444 1.476 1.00 0.00 H new ATOM 703 N THR A 430 4.033 -5.058 1.537 1.00 0.00 N ATOM 704 CA THR A 430 5.455 -5.181 1.746 1.00 0.00 C ATOM 705 C THR A 430 6.208 -4.242 0.808 1.00 0.00 C ATOM 706 O THR A 430 5.877 -4.129 -0.371 1.00 0.00 O ATOM 707 CB THR A 430 5.902 -6.631 1.495 1.00 0.00 C ATOM 708 OG1 THR A 430 5.083 -7.533 2.250 1.00 0.00 O ATOM 709 CG2 THR A 430 7.363 -6.830 1.868 1.00 0.00 C ATOM 0 H THR A 430 3.635 -5.788 0.946 1.00 0.00 H new ATOM 0 HA THR A 430 5.680 -4.910 2.777 1.00 0.00 H new ATOM 0 HB THR A 430 5.790 -6.839 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.372 -8.454 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.649 -7.865 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.985 -6.166 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.503 -6.602 2.925 1.00 0.00 H new ATOM 717 N CYS A 431 7.193 -3.555 1.344 1.00 0.00 N ATOM 718 CA CYS A 431 8.035 -2.666 0.567 1.00 0.00 C ATOM 719 C CYS A 431 9.095 -3.463 -0.156 1.00 0.00 C ATOM 720 O CYS A 431 10.003 -4.003 0.478 1.00 0.00 O ATOM 721 CB CYS A 431 8.711 -1.656 1.485 1.00 0.00 C ATOM 722 SG CYS A 431 9.813 -0.499 0.631 1.00 0.00 S ATOM 0 H CYS A 431 7.435 -3.596 2.334 1.00 0.00 H new ATOM 0 HA CYS A 431 7.414 -2.141 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.943 -1.088 2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.283 -2.194 2.241 1.00 0.00 H new ATOM 727 N MET A 432 8.985 -3.553 -1.473 1.00 0.00 N ATOM 728 CA MET A 432 9.967 -4.279 -2.246 1.00 0.00 C ATOM 729 C MET A 432 10.140 -3.718 -3.637 1.00 0.00 C ATOM 730 O MET A 432 9.196 -3.270 -4.277 1.00 0.00 O ATOM 731 CB MET A 432 9.639 -5.760 -2.319 1.00 0.00 C ATOM 732 CG MET A 432 10.188 -6.545 -1.150 1.00 0.00 C ATOM 733 SD MET A 432 11.137 -7.993 -1.654 1.00 0.00 S ATOM 734 CE MET A 432 9.865 -9.005 -2.408 1.00 0.00 C ATOM 0 H MET A 432 8.232 -3.135 -2.019 1.00 0.00 H new ATOM 0 HA MET A 432 10.913 -4.156 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.557 -5.885 -2.358 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.041 -6.170 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.822 -5.894 -0.548 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.362 -6.863 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.305 -9.935 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.094 -9.229 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.421 -8.467 -3.245 1.00 0.00 H new ATOM 744 N GLU A 433 11.387 -3.760 -4.055 1.00 0.00 N ATOM 745 CA GLU A 433 11.865 -3.236 -5.322 1.00 0.00 C ATOM 746 C GLU A 433 11.310 -1.848 -5.622 1.00 0.00 C ATOM 747 O GLU A 433 11.051 -1.507 -6.775 1.00 0.00 O ATOM 748 CB GLU A 433 11.584 -4.237 -6.419 1.00 0.00 C ATOM 749 CG GLU A 433 12.596 -5.370 -6.450 1.00 0.00 C ATOM 750 CD GLU A 433 12.156 -6.542 -7.298 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.538 -6.325 -8.356 1.00 0.00 O ATOM 752 OE2 GLU A 433 12.441 -7.694 -6.903 1.00 0.00 O ATOM 0 H GLU A 433 12.131 -4.179 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 433 12.944 -3.098 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.585 -4.651 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.587 -3.726 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.544 -4.991 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.776 -5.715 -5.432 1.00 0.00 H new ATOM 759 N ASN A 434 11.143 -1.049 -4.550 1.00 0.00 N ATOM 760 CA ASN A 434 10.640 0.333 -4.635 1.00 0.00 C ATOM 761 C ASN A 434 9.169 0.377 -5.063 1.00 0.00 C ATOM 762 O ASN A 434 8.476 1.372 -4.845 1.00 0.00 O ATOM 763 CB ASN A 434 11.518 1.163 -5.591 1.00 0.00 C ATOM 764 CG ASN A 434 10.846 2.429 -6.103 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.210 2.420 -7.155 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.990 3.524 -5.375 1.00 0.00 N ATOM 0 H ASN A 434 11.355 -1.347 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 434 10.697 0.772 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.440 1.435 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.798 0.542 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.566 4.400 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.525 3.493 -4.507 1.00 0.00 H new ATOM 773 N GLY A 435 8.680 -0.722 -5.605 1.00 0.00 N ATOM 774 CA GLY A 435 7.350 -0.733 -6.178 1.00 0.00 C ATOM 775 C GLY A 435 6.405 -1.635 -5.429 1.00 0.00 C ATOM 776 O GLY A 435 5.400 -2.084 -5.983 1.00 0.00 O ATOM 0 H GLY A 435 9.179 -1.610 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.952 0.282 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.409 -1.057 -7.217 1.00 0.00 H new ATOM 780 N TRP A 436 6.713 -1.847 -4.149 1.00 0.00 N ATOM 781 CA TRP A 436 5.949 -2.693 -3.268 1.00 0.00 C ATOM 782 C TRP A 436 5.836 -4.140 -3.775 1.00 0.00 C ATOM 783 O TRP A 436 5.826 -4.405 -4.974 1.00 0.00 O ATOM 784 CB TRP A 436 4.608 -2.031 -3.073 1.00 0.00 C ATOM 785 CG TRP A 436 4.733 -0.651 -2.491 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.757 0.529 -3.182 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.871 -0.309 -1.110 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.900 1.580 -2.313 1.00 0.00 N ATOM 789 CE2 TRP A 436 4.970 1.091 -1.035 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.919 -1.053 0.071 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.112 1.762 0.175 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.062 -0.386 1.272 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.157 1.008 1.315 1.00 0.00 C ATOM 0 H TRP A 436 7.522 -1.420 -3.698 1.00 0.00 H new ATOM 0 HA TRP A 436 6.459 -2.793 -2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.091 -1.974 -4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.994 -2.646 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.675 0.620 -4.255 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.947 2.565 -2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.846 -2.130 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.184 2.839 0.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.101 -0.950 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.268 1.500 2.270 1.00 0.00 H new ATOM 804 N SER A 437 5.767 -5.081 -2.850 1.00 0.00 N ATOM 805 CA SER A 437 5.765 -6.487 -3.208 1.00 0.00 C ATOM 806 C SER A 437 4.441 -6.888 -3.871 1.00 0.00 C ATOM 807 O SER A 437 4.427 -7.256 -5.048 1.00 0.00 O ATOM 808 CB SER A 437 6.053 -7.355 -1.976 1.00 0.00 C ATOM 809 OG SER A 437 7.366 -7.204 -1.518 1.00 0.00 O ATOM 0 H SER A 437 5.712 -4.897 -1.848 1.00 0.00 H new ATOM 0 HA SER A 437 6.559 -6.654 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.359 -7.091 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.874 -8.402 -2.221 1.00 0.00 H new ATOM 0 HG SER A 437 7.511 -7.785 -0.742 1.00 0.00 H new ATOM 815 N PRO A 438 3.302 -6.807 -3.149 1.00 0.00 N ATOM 816 CA PRO A 438 2.014 -7.243 -3.682 1.00 0.00 C ATOM 817 C PRO A 438 1.267 -6.138 -4.426 1.00 0.00 C ATOM 818 O PRO A 438 0.178 -6.352 -4.965 1.00 0.00 O ATOM 819 CB PRO A 438 1.281 -7.632 -2.412 1.00 0.00 C ATOM 820 CG PRO A 438 1.728 -6.628 -1.412 1.00 0.00 C ATOM 821 CD PRO A 438 3.162 -6.318 -1.756 1.00 0.00 C ATOM 0 HA PRO A 438 2.108 -8.037 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.200 -7.602 -2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.535 -8.645 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.112 -5.730 -1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.645 -7.021 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.370 -5.250 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.854 -6.824 -1.082 1.00 0.00 H new ATOM 829 N THR A 439 1.874 -4.957 -4.422 1.00 0.00 N ATOM 830 CA THR A 439 1.354 -3.774 -5.107 1.00 0.00 C ATOM 831 C THR A 439 0.118 -3.204 -4.399 1.00 0.00 C ATOM 832 O THR A 439 -0.951 -3.814 -4.389 1.00 0.00 O ATOM 833 CB THR A 439 1.029 -4.066 -6.587 1.00 0.00 C ATOM 834 OG1 THR A 439 2.172 -4.652 -7.227 1.00 0.00 O ATOM 835 CG2 THR A 439 0.640 -2.790 -7.320 1.00 0.00 C ATOM 0 H THR A 439 2.755 -4.789 -3.936 1.00 0.00 H new ATOM 0 HA THR A 439 2.144 -3.024 -5.072 1.00 0.00 H new ATOM 0 HB THR A 439 0.188 -4.759 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.962 -4.838 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.416 -3.022 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.240 -2.353 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.465 -2.079 -7.277 1.00 0.00 H new ATOM 843 N PRO A 440 0.271 -2.015 -3.793 1.00 0.00 N ATOM 844 CA PRO A 440 -0.811 -1.339 -3.069 1.00 0.00 C ATOM 845 C PRO A 440 -1.972 -0.972 -3.989 1.00 0.00 C ATOM 846 O PRO A 440 -1.842 -0.100 -4.853 1.00 0.00 O ATOM 847 CB PRO A 440 -0.162 -0.068 -2.506 1.00 0.00 C ATOM 848 CG PRO A 440 1.311 -0.220 -2.700 1.00 0.00 C ATOM 849 CD PRO A 440 1.517 -1.242 -3.780 1.00 0.00 C ATOM 0 HA PRO A 440 -1.234 -1.982 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.532 0.818 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.403 0.055 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.762 0.732 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.790 -0.538 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.701 -0.769 -4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.377 -1.877 -3.567 1.00 0.00 H new ATOM 857 N ARG A 441 -3.101 -1.644 -3.799 1.00 0.00 N ATOM 858 CA ARG A 441 -4.272 -1.451 -4.647 1.00 0.00 C ATOM 859 C ARG A 441 -5.551 -1.616 -3.844 1.00 0.00 C ATOM 860 O ARG A 441 -5.759 -2.644 -3.205 1.00 0.00 O ATOM 861 CB ARG A 441 -4.271 -2.457 -5.798 1.00 0.00 C ATOM 862 CG ARG A 441 -3.216 -2.189 -6.852 1.00 0.00 C ATOM 863 CD ARG A 441 -3.108 -3.339 -7.836 1.00 0.00 C ATOM 864 NE ARG A 441 -2.476 -4.515 -7.239 1.00 0.00 N ATOM 865 CZ ARG A 441 -2.036 -5.559 -7.945 1.00 0.00 C ATOM 866 NH1 ARG A 441 -2.286 -5.638 -9.247 1.00 0.00 N ATOM 867 NH2 ARG A 441 -1.362 -6.533 -7.344 1.00 0.00 N ATOM 0 H ARG A 441 -3.231 -2.333 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.229 -0.439 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.118 -3.457 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.253 -2.452 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.460 -1.272 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.251 -2.029 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.103 -3.605 -8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.532 -3.020 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.365 -4.539 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.816 -4.900 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.948 -6.437 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.180 -6.484 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.027 -7.330 -7.885 1.00 0.00 H new ATOM 881 N CYS A 442 -6.400 -0.606 -3.882 1.00 0.00 N ATOM 882 CA CYS A 442 -7.704 -0.682 -3.240 1.00 0.00 C ATOM 883 C CYS A 442 -8.730 -1.233 -4.219 1.00 0.00 C ATOM 884 O CYS A 442 -9.459 -0.478 -4.867 1.00 0.00 O ATOM 885 CB CYS A 442 -8.138 0.696 -2.740 1.00 0.00 C ATOM 886 SG CYS A 442 -7.051 1.383 -1.450 1.00 0.00 S ATOM 0 H CYS A 442 -6.212 0.280 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.633 -1.351 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.167 1.386 -3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.153 0.628 -2.349 1.00 0.00 H new ATOM 891 N ILE A 443 -8.768 -2.550 -4.337 1.00 0.00 N ATOM 892 CA ILE A 443 -9.669 -3.202 -5.271 1.00 0.00 C ATOM 893 C ILE A 443 -11.014 -3.430 -4.613 1.00 0.00 C ATOM 894 O ILE A 443 -11.107 -3.601 -3.396 1.00 0.00 O ATOM 895 CB ILE A 443 -9.116 -4.556 -5.752 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.600 -4.482 -5.900 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.743 -4.942 -7.084 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.957 -5.795 -6.283 1.00 0.00 C ATOM 0 H ILE A 443 -8.184 -3.189 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.772 -2.546 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.367 -5.314 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.355 -3.735 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.169 -4.139 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.342 -5.901 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.824 -5.021 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.513 -4.180 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.879 -5.661 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.170 -6.541 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.358 -6.131 -7.239 1.00 0.00 H new ATOM 910 N ARG A 444 -12.044 -3.438 -5.426 1.00 0.00 N ATOM 911 CA ARG A 444 -13.406 -3.548 -4.938 1.00 0.00 C ATOM 912 C ARG A 444 -13.738 -4.984 -4.603 1.00 0.00 C ATOM 913 O ARG A 444 -13.585 -5.894 -5.420 1.00 0.00 O ATOM 914 CB ARG A 444 -14.392 -3.027 -5.974 1.00 0.00 C ATOM 915 CG ARG A 444 -15.661 -2.477 -5.356 1.00 0.00 C ATOM 916 CD ARG A 444 -16.858 -2.655 -6.268 1.00 0.00 C ATOM 917 NE ARG A 444 -16.723 -1.960 -7.545 1.00 0.00 N ATOM 918 CZ ARG A 444 -17.598 -2.086 -8.540 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.607 -2.946 -8.430 1.00 0.00 N ATOM 920 NH2 ARG A 444 -17.460 -1.371 -9.647 1.00 0.00 N ATOM 0 H ARG A 444 -11.966 -3.369 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.487 -2.944 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.913 -2.245 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.648 -3.833 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.850 -2.979 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.528 -1.418 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.007 -3.718 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.751 -2.293 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 444 -15.919 -1.348 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.709 -3.507 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.279 -3.044 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -16.680 -0.720 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -18.134 -1.472 -10.406 1.00 0.00 H new ATOM 934 N VAL A 445 -14.194 -5.154 -3.381 1.00 0.00 N ATOM 935 CA VAL A 445 -14.578 -6.445 -2.858 1.00 0.00 C ATOM 936 C VAL A 445 -15.839 -6.951 -3.547 1.00 0.00 C ATOM 937 O VAL A 445 -15.874 -8.073 -4.052 1.00 0.00 O ATOM 938 CB VAL A 445 -14.816 -6.342 -1.342 1.00 0.00 C ATOM 939 CG1 VAL A 445 -15.401 -7.630 -0.778 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.523 -5.988 -0.632 1.00 0.00 C ATOM 0 H VAL A 445 -14.310 -4.390 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.771 -7.152 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 445 -15.543 -5.549 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.556 -7.520 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -16.355 -7.839 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.712 -8.454 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.704 -5.918 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.779 -6.761 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.156 -5.031 -1.001 1.00 0.00 H new ATOM 950 N LYS A 446 -16.866 -6.115 -3.563 1.00 0.00 N ATOM 951 CA LYS A 446 -18.124 -6.456 -4.212 1.00 0.00 C ATOM 952 C LYS A 446 -18.541 -5.343 -5.163 1.00 0.00 C ATOM 953 O LYS A 446 -18.247 -5.456 -6.371 1.00 0.00 O ATOM 954 CB LYS A 446 -19.224 -6.706 -3.176 1.00 0.00 C ATOM 955 CG LYS A 446 -18.933 -7.871 -2.244 1.00 0.00 C ATOM 956 CD LYS A 446 -20.085 -8.120 -1.284 1.00 0.00 C ATOM 957 CE LYS A 446 -19.811 -9.315 -0.386 1.00 0.00 C ATOM 958 NZ LYS A 446 -20.957 -9.597 0.517 1.00 0.00 N ATOM 959 OXT LYS A 446 -19.130 -4.344 -4.695 1.00 0.00 O ATOM 0 H LYS A 446 -16.853 -5.191 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.977 -7.374 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -19.363 -5.803 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -20.164 -6.894 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.747 -8.770 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -18.024 -7.667 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.248 -7.233 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -21.001 -8.290 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -19.607 -10.192 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.917 -9.126 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -20.734 -10.418 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -21.136 -8.769 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.804 -9.802 -0.051 1.00 0.00 H new TER 973 LYS A 446