USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 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 29 GLN : amide:sc= 0.221 K(o=0.48,f=-1.3) USER MOD Set 1.2: A 30 THR OG1 : rot -60:sc= 0.261 USER MOD Single : A 1 ASP N :NH3+ 158:sc= -3.6! (180deg=-3.74!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 110:sc= -2.05! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.78! K(o=-1.8!,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0275 (180deg=-0.22) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -32:sc= 0.563 USER MOD Single : A 41 ASN : amide:sc= -6.82! C(o=-6.8!,f=-8.4!) USER MOD Single : A 42 ASN : amide:sc= -0.431 K(o=-0.43,f=-4.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -9:sc= 1.01 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.876 8.601 3.061 1.00 0.00 N ATOM 2 CA ASP A 1 -2.402 7.754 4.166 1.00 0.00 C ATOM 3 C ASP A 1 -3.089 6.428 4.089 1.00 0.00 C ATOM 4 O ASP A 1 -3.824 6.000 4.990 1.00 0.00 O ATOM 5 CB ASP A 1 -2.622 8.456 5.513 1.00 0.00 C ATOM 6 CG ASP A 1 -1.850 9.760 5.637 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.095 10.676 4.823 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.004 9.864 6.549 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.716 9.601 3.297 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.355 8.363 2.193 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.892 8.439 2.911 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.329 7.584 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.686 8.656 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.323 7.785 6.319 1.00 0.00 H new ATOM 15 N PHE A 2 -2.768 5.765 2.975 1.00 0.00 N ATOM 16 CA PHE A 2 -3.226 4.426 2.619 1.00 0.00 C ATOM 17 C PHE A 2 -4.666 4.087 3.082 1.00 0.00 C ATOM 18 O PHE A 2 -4.983 2.936 3.406 1.00 0.00 O ATOM 19 CB PHE A 2 -2.172 3.422 3.117 1.00 0.00 C ATOM 20 CG PHE A 2 -1.971 3.322 4.614 1.00 0.00 C ATOM 21 CD1 PHE A 2 -1.395 4.354 5.338 1.00 0.00 C ATOM 22 CD2 PHE A 2 -2.325 2.165 5.272 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.189 4.219 6.703 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.117 2.009 6.613 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.547 3.038 7.342 1.00 0.00 C ATOM 0 H PHE A 2 -2.154 6.168 2.267 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.314 4.368 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.443 2.434 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.216 3.682 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.106 5.266 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.779 1.360 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.752 5.029 7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.396 1.087 7.102 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.381 2.924 8.403 1.00 0.00 H new ATOM 35 N CYS A 3 -5.525 5.117 3.079 1.00 0.00 N ATOM 36 CA CYS A 3 -6.933 4.990 3.462 1.00 0.00 C ATOM 37 C CYS A 3 -7.784 5.995 2.680 1.00 0.00 C ATOM 38 O CYS A 3 -8.941 5.706 2.364 1.00 0.00 O ATOM 39 CB CYS A 3 -7.120 5.169 4.978 1.00 0.00 C ATOM 40 SG CYS A 3 -8.830 4.939 5.589 1.00 0.00 S ATOM 0 H CYS A 3 -5.258 6.064 2.809 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.266 3.983 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.470 4.462 5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.785 6.169 5.253 1.00 0.00 H new ATOM 45 N LEU A 4 -7.197 7.167 2.327 1.00 0.00 N ATOM 46 CA LEU A 4 -7.909 8.186 1.537 1.00 0.00 C ATOM 47 C LEU A 4 -6.934 9.139 0.849 1.00 0.00 C ATOM 48 O LEU A 4 -7.104 9.494 -0.320 1.00 0.00 O ATOM 49 CB LEU A 4 -8.919 8.967 2.397 1.00 0.00 C ATOM 50 CG LEU A 4 -8.361 9.656 3.648 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.073 11.122 3.368 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.349 9.511 4.789 1.00 0.00 C ATOM 0 H LEU A 4 -6.242 7.422 2.577 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.468 7.659 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.387 9.725 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.706 8.280 2.708 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.422 9.179 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.678 11.593 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.340 11.202 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.994 11.623 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.952 10.001 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.296 9.974 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.510 8.454 4.999 1.00 0.00 H new ATOM 64 N GLU A 5 -5.922 9.534 1.609 1.00 0.00 N ATOM 65 CA GLU A 5 -4.875 10.441 1.166 1.00 0.00 C ATOM 66 C GLU A 5 -3.830 9.718 0.283 1.00 0.00 C ATOM 67 O GLU A 5 -3.825 8.485 0.244 1.00 0.00 O ATOM 68 CB GLU A 5 -4.227 11.031 2.410 1.00 0.00 C ATOM 69 CG GLU A 5 -4.880 12.314 2.901 1.00 0.00 C ATOM 70 CD GLU A 5 -4.216 12.875 4.145 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.240 12.195 5.194 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.671 13.997 4.072 1.00 0.00 O ATOM 0 H GLU A 5 -5.804 9.225 2.574 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.303 11.230 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.259 10.291 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.176 11.228 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.844 13.061 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.932 12.123 3.112 1.00 0.00 H new ATOM 79 N PRO A 6 -2.940 10.465 -0.461 1.00 0.00 N ATOM 80 CA PRO A 6 -1.917 9.861 -1.360 1.00 0.00 C ATOM 81 C PRO A 6 -1.041 8.757 -0.710 1.00 0.00 C ATOM 82 O PRO A 6 -0.140 9.054 0.084 1.00 0.00 O ATOM 83 CB PRO A 6 -1.057 11.061 -1.773 1.00 0.00 C ATOM 84 CG PRO A 6 -1.978 12.223 -1.692 1.00 0.00 C ATOM 85 CD PRO A 6 -2.874 11.951 -0.518 1.00 0.00 C ATOM 0 HA PRO A 6 -2.398 9.338 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.202 11.185 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.661 10.938 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.425 13.152 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.557 12.329 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.466 12.369 0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.862 12.391 -0.658 1.00 0.00 H new ATOM 93 N PRO A 7 -1.312 7.452 -1.043 1.00 0.00 N ATOM 94 CA PRO A 7 -0.570 6.288 -0.505 1.00 0.00 C ATOM 95 C PRO A 7 0.938 6.342 -0.761 1.00 0.00 C ATOM 96 O PRO A 7 1.395 6.986 -1.709 1.00 0.00 O ATOM 97 CB PRO A 7 -1.176 5.084 -1.227 1.00 0.00 C ATOM 98 CG PRO A 7 -1.965 5.631 -2.355 1.00 0.00 C ATOM 99 CD PRO A 7 -2.383 7.013 -1.951 1.00 0.00 C ATOM 0 HA PRO A 7 -0.665 6.252 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.396 4.413 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.809 4.505 -0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.370 5.657 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.835 5.007 -2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.471 7.673 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.353 7.008 -1.453 1.00 0.00 H new ATOM 107 N TYR A 8 1.692 5.651 0.103 1.00 0.00 N ATOM 108 CA TYR A 8 3.145 5.590 0.011 1.00 0.00 C ATOM 109 C TYR A 8 3.583 4.412 -0.864 1.00 0.00 C ATOM 110 O TYR A 8 3.279 3.255 -0.555 1.00 0.00 O ATOM 111 CB TYR A 8 3.761 5.474 1.416 1.00 0.00 C ATOM 112 CG TYR A 8 3.563 6.702 2.297 1.00 0.00 C ATOM 113 CD1 TYR A 8 2.305 7.060 2.794 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.645 7.511 2.626 1.00 0.00 C ATOM 115 CE1 TYR A 8 2.144 8.179 3.588 1.00 0.00 C ATOM 116 CE2 TYR A 8 4.486 8.632 3.419 1.00 0.00 C ATOM 117 CZ TYR A 8 3.236 8.961 3.897 1.00 0.00 C ATOM 118 OH TYR A 8 3.078 10.076 4.688 1.00 0.00 O ATOM 0 H TYR A 8 1.306 5.120 0.884 1.00 0.00 H new ATOM 0 HA TYR A 8 3.501 6.510 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.328 4.609 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.829 5.283 1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.446 6.452 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.628 7.259 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.166 8.440 3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.339 9.248 3.663 1.00 0.00 H new ATOM 0 HH TYR A 8 3.945 10.515 4.811 1.00 0.00 H new ATOM 128 N THR A 9 4.280 4.720 -1.969 1.00 0.00 N ATOM 129 CA THR A 9 4.739 3.690 -2.906 1.00 0.00 C ATOM 130 C THR A 9 6.194 3.949 -3.342 1.00 0.00 C ATOM 131 O THR A 9 6.460 4.346 -4.486 1.00 0.00 O ATOM 132 CB THR A 9 3.791 3.627 -4.128 1.00 0.00 C ATOM 133 OG1 THR A 9 2.438 3.672 -3.711 1.00 0.00 O ATOM 134 CG2 THR A 9 3.949 2.371 -4.971 1.00 0.00 C ATOM 0 H THR A 9 4.536 5.672 -2.232 1.00 0.00 H new ATOM 0 HA THR A 9 4.717 2.724 -2.402 1.00 0.00 H new ATOM 0 HB THR A 9 4.065 4.490 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.045 4.532 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.250 2.403 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.968 2.315 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.742 1.493 -4.359 1.00 0.00 H new ATOM 142 N GLY A 10 7.128 3.696 -2.424 1.00 0.00 N ATOM 143 CA GLY A 10 8.545 3.872 -2.716 1.00 0.00 C ATOM 144 C GLY A 10 9.362 4.491 -1.578 1.00 0.00 C ATOM 145 O GLY A 10 10.216 5.337 -1.858 1.00 0.00 O ATOM 0 H GLY A 10 6.927 3.371 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.974 2.901 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.644 4.502 -3.600 1.00 0.00 H new ATOM 149 N PRO A 11 9.155 4.107 -0.275 1.00 0.00 N ATOM 150 CA PRO A 11 9.924 4.670 0.843 1.00 0.00 C ATOM 151 C PRO A 11 11.261 3.943 1.081 1.00 0.00 C ATOM 152 O PRO A 11 12.245 4.568 1.490 1.00 0.00 O ATOM 153 CB PRO A 11 8.988 4.496 2.051 1.00 0.00 C ATOM 154 CG PRO A 11 7.813 3.691 1.574 1.00 0.00 C ATOM 155 CD PRO A 11 8.183 3.120 0.233 1.00 0.00 C ATOM 0 HA PRO A 11 10.206 5.705 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.500 3.987 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.664 5.464 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.580 2.895 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.924 4.317 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.622 2.126 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.317 3.028 -0.422 1.00 0.00 H new ATOM 163 N CYS A 12 11.281 2.625 0.820 1.00 0.00 N ATOM 164 CA CYS A 12 12.486 1.806 0.997 1.00 0.00 C ATOM 165 C CYS A 12 12.936 1.179 -0.336 1.00 0.00 C ATOM 166 O CYS A 12 14.095 1.323 -0.736 1.00 0.00 O ATOM 167 CB CYS A 12 12.241 0.698 2.038 1.00 0.00 C ATOM 168 SG CYS A 12 11.862 1.277 3.734 1.00 0.00 S ATOM 0 H CYS A 12 10.471 2.105 0.484 1.00 0.00 H new ATOM 0 HA CYS A 12 13.280 2.462 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.415 0.076 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.125 0.061 2.080 1.00 0.00 H new ATOM 173 N ARG A 13 12.007 0.477 -1.007 1.00 0.00 N ATOM 174 CA ARG A 13 12.264 -0.194 -2.281 1.00 0.00 C ATOM 175 C ARG A 13 11.800 0.693 -3.464 1.00 0.00 C ATOM 176 O ARG A 13 11.573 1.894 -3.285 1.00 0.00 O ATOM 177 CB ARG A 13 11.558 -1.575 -2.266 1.00 0.00 C ATOM 178 CG ARG A 13 12.047 -2.576 -3.313 1.00 0.00 C ATOM 179 CD ARG A 13 11.596 -4.003 -3.001 1.00 0.00 C ATOM 180 NE ARG A 13 10.132 -4.190 -3.067 1.00 0.00 N ATOM 181 CZ ARG A 13 9.510 -5.357 -2.845 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.197 -6.457 -2.541 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.189 -5.424 -2.930 1.00 0.00 N ATOM 0 H ARG A 13 11.050 0.362 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 13 13.333 -0.356 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.685 -2.018 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.489 -1.419 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.673 -2.285 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.135 -2.543 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.073 -4.687 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.944 -4.275 -2.004 1.00 0.00 H new ATOM 0 HE ARG A 13 9.557 -3.379 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.214 -6.421 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.706 -7.336 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.650 -4.590 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.711 -6.309 -2.762 1.00 0.00 H new ATOM 197 N ALA A 14 11.681 0.096 -4.668 1.00 0.00 N ATOM 198 CA ALA A 14 11.270 0.811 -5.880 1.00 0.00 C ATOM 199 C ALA A 14 9.784 1.221 -5.857 1.00 0.00 C ATOM 200 O ALA A 14 9.423 2.194 -5.191 1.00 0.00 O ATOM 201 CB ALA A 14 11.608 -0.030 -7.112 1.00 0.00 C ATOM 0 H ALA A 14 11.868 -0.895 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 14 11.830 1.745 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.302 0.503 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.682 -0.211 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.081 -0.983 -7.058 1.00 0.00 H new ATOM 207 N ALA A 15 8.932 0.480 -6.590 1.00 0.00 N ATOM 208 CA ALA A 15 7.497 0.757 -6.667 1.00 0.00 C ATOM 209 C ALA A 15 6.722 -0.497 -7.055 1.00 0.00 C ATOM 210 O ALA A 15 6.935 -1.065 -8.132 1.00 0.00 O ATOM 211 CB ALA A 15 7.203 1.887 -7.655 1.00 0.00 C ATOM 0 H ALA A 15 9.225 -0.326 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 15 7.170 1.076 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.129 2.069 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.715 2.794 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.556 1.604 -8.647 1.00 0.00 H new ATOM 217 N ILE A 16 5.836 -0.929 -6.156 1.00 0.00 N ATOM 218 CA ILE A 16 5.021 -2.126 -6.363 1.00 0.00 C ATOM 219 C ILE A 16 3.537 -1.759 -6.155 1.00 0.00 C ATOM 220 O ILE A 16 3.230 -0.844 -5.378 1.00 0.00 O ATOM 221 CB ILE A 16 5.476 -3.269 -5.395 1.00 0.00 C ATOM 222 CG1 ILE A 16 7.009 -3.440 -5.416 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.815 -4.603 -5.725 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.732 -2.620 -4.365 1.00 0.00 C ATOM 0 H ILE A 16 5.664 -0.460 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 16 5.151 -2.497 -7.380 1.00 0.00 H new ATOM 0 HB ILE A 16 5.159 -2.968 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.250 -4.493 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.383 -3.161 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.162 -5.364 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.733 -4.503 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.077 -4.897 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.805 -2.793 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.523 -1.562 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.388 -2.915 -3.374 1.00 0.00 H new ATOM 236 N ILE A 17 2.629 -2.445 -6.877 1.00 0.00 N ATOM 237 CA ILE A 17 1.183 -2.150 -6.810 1.00 0.00 C ATOM 238 C ILE A 17 0.303 -3.336 -6.382 1.00 0.00 C ATOM 239 O ILE A 17 0.650 -4.508 -6.524 1.00 0.00 O ATOM 240 CB ILE A 17 0.718 -1.621 -8.207 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.625 -0.883 -8.161 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.664 -2.726 -9.268 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.476 0.594 -7.905 1.00 0.00 C ATOM 0 H ILE A 17 2.870 -3.206 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 17 1.054 -1.401 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 17 1.484 -0.901 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.148 -1.032 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.247 -1.321 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.335 -2.303 -10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.655 -3.163 -9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.037 -3.499 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.461 1.061 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.020 0.749 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.121 1.042 -8.699 1.00 0.00 H new ATOM 255 N ARG A 18 -0.869 -2.918 -5.906 1.00 0.00 N ATOM 256 CA ARG A 18 -1.997 -3.755 -5.444 1.00 0.00 C ATOM 257 C ARG A 18 -3.135 -2.811 -5.016 1.00 0.00 C ATOM 258 O ARG A 18 -3.268 -1.753 -5.622 1.00 0.00 O ATOM 259 CB ARG A 18 -1.629 -4.769 -4.340 1.00 0.00 C ATOM 260 CG ARG A 18 -1.174 -6.116 -4.884 1.00 0.00 C ATOM 261 CD ARG A 18 -0.803 -7.091 -3.772 1.00 0.00 C ATOM 262 NE ARG A 18 -1.974 -7.552 -3.013 1.00 0.00 N ATOM 263 CZ ARG A 18 -1.932 -8.447 -2.017 1.00 0.00 C ATOM 264 NH1 ARG A 18 -0.784 -9.003 -1.637 1.00 0.00 N ATOM 265 NH2 ARG A 18 -3.054 -8.789 -1.396 1.00 0.00 N ATOM 0 H ARG A 18 -1.079 -1.923 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.315 -4.390 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.836 -4.349 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.493 -4.920 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.969 -6.547 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.315 -5.970 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.292 -7.952 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.099 -6.611 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.883 -7.163 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.085 -8.750 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.774 -9.682 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.941 -8.371 -1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.030 -9.470 -0.637 1.00 0.00 H new ATOM 279 N TYR A 19 -3.978 -3.175 -4.033 1.00 0.00 N ATOM 280 CA TYR A 19 -5.113 -2.319 -3.666 1.00 0.00 C ATOM 281 C TYR A 19 -4.921 -1.442 -2.434 1.00 0.00 C ATOM 282 O TYR A 19 -4.539 -1.909 -1.353 1.00 0.00 O ATOM 283 CB TYR A 19 -6.380 -3.187 -3.524 1.00 0.00 C ATOM 284 CG TYR A 19 -6.942 -3.747 -4.834 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.129 -4.002 -5.942 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.300 -4.019 -4.954 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.649 -4.506 -7.116 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.828 -4.525 -6.129 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.000 -4.765 -7.205 1.00 0.00 C ATOM 290 OH TYR A 19 -8.524 -5.268 -8.374 1.00 0.00 O ATOM 0 H TYR A 19 -3.896 -4.036 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.210 -1.603 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.156 -4.021 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.155 -2.592 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.070 -3.800 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.955 -3.832 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.002 -4.696 -7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.886 -4.731 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.490 -5.395 -8.271 1.00 0.00 H new ATOM 300 N PHE A 20 -5.258 -0.153 -2.644 1.00 0.00 N ATOM 301 CA PHE A 20 -5.223 0.887 -1.624 1.00 0.00 C ATOM 302 C PHE A 20 -6.638 1.475 -1.508 1.00 0.00 C ATOM 303 O PHE A 20 -7.509 1.120 -2.301 1.00 0.00 O ATOM 304 CB PHE A 20 -4.126 1.924 -1.992 1.00 0.00 C ATOM 305 CG PHE A 20 -4.521 3.300 -2.451 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.039 4.233 -1.575 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.331 3.656 -3.758 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.379 5.497 -2.018 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.660 4.908 -4.210 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.191 5.832 -3.342 1.00 0.00 C ATOM 0 H PHE A 20 -5.568 0.190 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.950 0.503 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.486 2.044 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.512 1.483 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.179 3.973 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.914 2.937 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.791 6.220 -1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.502 5.168 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.460 6.816 -3.696 1.00 0.00 H new ATOM 320 N TYR A 21 -6.874 2.346 -0.529 1.00 0.00 N ATOM 321 CA TYR A 21 -8.188 2.945 -0.350 1.00 0.00 C ATOM 322 C TYR A 21 -8.109 4.464 -0.554 1.00 0.00 C ATOM 323 O TYR A 21 -7.380 5.147 0.163 1.00 0.00 O ATOM 324 CB TYR A 21 -8.707 2.615 1.052 1.00 0.00 C ATOM 325 CG TYR A 21 -10.220 2.525 1.169 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.054 3.521 0.675 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.810 1.430 1.784 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.427 3.425 0.788 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.183 1.326 1.902 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.986 2.326 1.402 1.00 0.00 C ATOM 331 OH TYR A 21 -14.355 2.228 1.517 1.00 0.00 O ATOM 0 H TYR A 21 -6.174 2.649 0.148 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.878 2.539 -1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.275 1.666 1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.348 3.376 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.621 4.385 0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.184 0.643 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.060 4.208 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.623 0.465 2.384 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.586 1.392 1.974 1.00 0.00 H new ATOM 341 N ASN A 22 -8.843 4.983 -1.546 1.00 0.00 N ATOM 342 CA ASN A 22 -8.851 6.415 -1.840 1.00 0.00 C ATOM 343 C ASN A 22 -10.272 6.959 -1.613 1.00 0.00 C ATOM 344 O ASN A 22 -10.914 7.472 -2.537 1.00 0.00 O ATOM 345 CB ASN A 22 -8.368 6.653 -3.274 1.00 0.00 C ATOM 346 CG ASN A 22 -7.965 8.095 -3.540 1.00 0.00 C ATOM 347 OD1 ASN A 22 -7.120 8.657 -2.841 1.00 0.00 O ATOM 348 ND2 ASN A 22 -8.558 8.693 -4.563 1.00 0.00 N ATOM 0 H ASN A 22 -9.440 4.427 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.170 6.947 -1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.518 6.002 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.159 6.370 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.320 9.657 -4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.252 8.190 -5.115 1.00 0.00 H new ATOM 355 N ALA A 23 -10.773 6.771 -0.371 1.00 0.00 N ATOM 356 CA ALA A 23 -12.148 7.148 0.054 1.00 0.00 C ATOM 357 C ALA A 23 -12.525 8.635 -0.125 1.00 0.00 C ATOM 358 O ALA A 23 -13.343 9.180 0.626 1.00 0.00 O ATOM 359 CB ALA A 23 -12.350 6.723 1.504 1.00 0.00 C ATOM 0 H ALA A 23 -10.227 6.346 0.379 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.821 6.619 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.355 6.995 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.221 5.644 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.618 7.226 2.136 1.00 0.00 H new ATOM 365 N LYS A 24 -11.939 9.257 -1.129 1.00 0.00 N ATOM 366 CA LYS A 24 -12.176 10.651 -1.460 1.00 0.00 C ATOM 367 C LYS A 24 -12.663 10.823 -2.905 1.00 0.00 C ATOM 368 O LYS A 24 -13.580 11.607 -3.169 1.00 0.00 O ATOM 369 CB LYS A 24 -10.874 11.420 -1.265 1.00 0.00 C ATOM 370 CG LYS A 24 -10.850 12.379 -0.074 1.00 0.00 C ATOM 371 CD LYS A 24 -10.826 11.645 1.265 1.00 0.00 C ATOM 372 CE LYS A 24 -12.207 11.586 1.909 1.00 0.00 C ATOM 373 NZ LYS A 24 -12.689 12.929 2.347 1.00 0.00 N ATOM 0 H LYS A 24 -11.272 8.800 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.958 11.035 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.062 10.702 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.669 11.989 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.974 13.023 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.726 13.026 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.452 10.632 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.132 12.145 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.918 11.162 1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.176 10.916 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.427 12.814 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.895 13.470 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.081 13.440 1.531 1.00 0.00 H new ATOM 387 N ALA A 25 -12.017 10.100 -3.829 1.00 0.00 N ATOM 388 CA ALA A 25 -12.333 10.164 -5.259 1.00 0.00 C ATOM 389 C ALA A 25 -13.349 9.101 -5.671 1.00 0.00 C ATOM 390 O ALA A 25 -14.515 9.403 -5.937 1.00 0.00 O ATOM 391 CB ALA A 25 -11.046 10.011 -6.060 1.00 0.00 C ATOM 0 H ALA A 25 -11.260 9.454 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.788 11.132 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.273 10.058 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.358 10.815 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.585 9.051 -5.829 1.00 0.00 H new ATOM 397 N GLY A 26 -12.875 7.866 -5.702 1.00 0.00 N ATOM 398 CA GLY A 26 -13.689 6.719 -6.058 1.00 0.00 C ATOM 399 C GLY A 26 -13.492 5.607 -5.058 1.00 0.00 C ATOM 400 O GLY A 26 -13.971 4.484 -5.240 1.00 0.00 O ATOM 0 H GLY A 26 -11.908 7.631 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.740 7.006 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.423 6.371 -7.056 1.00 0.00 H new ATOM 404 N LEU A 27 -12.767 5.959 -3.981 1.00 0.00 N ATOM 405 CA LEU A 27 -12.435 5.073 -2.860 1.00 0.00 C ATOM 406 C LEU A 27 -11.385 4.021 -3.248 1.00 0.00 C ATOM 407 O LEU A 27 -10.300 4.412 -3.680 1.00 0.00 O ATOM 408 CB LEU A 27 -13.703 4.524 -2.185 1.00 0.00 C ATOM 409 CG LEU A 27 -14.558 5.624 -1.530 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.633 6.124 -2.487 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.183 5.127 -0.236 1.00 0.00 C ATOM 0 H LEU A 27 -12.386 6.898 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.942 5.660 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.304 3.997 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.418 3.793 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.900 6.460 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.222 6.900 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.162 6.534 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.284 5.296 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.782 5.922 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.819 4.267 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.396 4.835 0.459 1.00 0.00 H new ATOM 423 N CYS A 28 -11.665 2.713 -3.087 1.00 0.00 N ATOM 424 CA CYS A 28 -10.697 1.654 -3.405 1.00 0.00 C ATOM 425 C CYS A 28 -9.894 1.926 -4.679 1.00 0.00 C ATOM 426 O CYS A 28 -10.438 2.044 -5.782 1.00 0.00 O ATOM 427 CB CYS A 28 -11.397 0.316 -3.473 1.00 0.00 C ATOM 428 SG CYS A 28 -12.092 -0.223 -1.878 1.00 0.00 S ATOM 0 H CYS A 28 -12.558 2.367 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.967 1.638 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.199 0.371 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.692 -0.436 -3.826 1.00 0.00 H new ATOM 433 N GLN A 29 -8.591 2.077 -4.457 1.00 0.00 N ATOM 434 CA GLN A 29 -7.619 2.402 -5.489 1.00 0.00 C ATOM 435 C GLN A 29 -6.442 1.390 -5.509 1.00 0.00 C ATOM 436 O GLN A 29 -6.654 0.207 -5.226 1.00 0.00 O ATOM 437 CB GLN A 29 -7.190 3.863 -5.261 1.00 0.00 C ATOM 438 CG GLN A 29 -7.376 4.767 -6.469 1.00 0.00 C ATOM 439 CD GLN A 29 -6.331 4.550 -7.554 1.00 0.00 C ATOM 440 OE1 GLN A 29 -6.222 3.462 -8.121 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.560 5.591 -7.847 1.00 0.00 N ATOM 0 H GLN A 29 -8.175 1.974 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.053 2.315 -6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.760 4.270 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.140 3.879 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.367 4.598 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.341 5.807 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.685 6.474 -7.352 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.843 5.508 -8.567 1.00 0.00 H new ATOM 450 N THR A 30 -5.225 1.840 -5.890 1.00 0.00 N ATOM 451 CA THR A 30 -4.032 0.942 -6.002 1.00 0.00 C ATOM 452 C THR A 30 -2.690 1.621 -5.631 1.00 0.00 C ATOM 453 O THR A 30 -2.530 2.827 -5.834 1.00 0.00 O ATOM 454 CB THR A 30 -3.914 0.406 -7.442 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.953 1.467 -8.380 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.994 -0.589 -7.826 1.00 0.00 C ATOM 0 H THR A 30 -5.034 2.814 -6.126 1.00 0.00 H new ATOM 0 HA THR A 30 -4.202 0.141 -5.282 1.00 0.00 H new ATOM 0 HB THR A 30 -2.955 -0.112 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.798 1.954 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.838 -0.917 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.949 -1.450 -7.160 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.972 -0.115 -7.741 1.00 0.00 H new ATOM 464 N PHE A 31 -1.705 0.812 -5.120 1.00 0.00 N ATOM 465 CA PHE A 31 -0.329 1.325 -4.747 1.00 0.00 C ATOM 466 C PHE A 31 0.579 0.267 -4.050 1.00 0.00 C ATOM 467 O PHE A 31 1.759 0.533 -3.823 1.00 0.00 O ATOM 468 CB PHE A 31 -0.419 2.493 -3.698 1.00 0.00 C ATOM 469 CG PHE A 31 -0.433 1.984 -2.270 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.439 1.137 -1.844 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.577 2.309 -1.381 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.453 0.624 -0.579 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.568 1.806 -0.094 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.450 0.959 0.306 1.00 0.00 C ATOM 0 H PHE A 31 -1.830 -0.187 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 31 0.094 1.628 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.428 3.166 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.322 3.075 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.233 0.875 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.378 2.961 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.246 -0.042 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.353 2.073 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.459 0.561 1.310 1.00 0.00 H new ATOM 484 N VAL A 32 -0.059 -0.812 -3.564 1.00 0.00 N ATOM 485 CA VAL A 32 0.541 -1.856 -2.667 1.00 0.00 C ATOM 486 C VAL A 32 1.608 -1.295 -1.716 1.00 0.00 C ATOM 487 O VAL A 32 1.359 -1.179 -0.514 1.00 0.00 O ATOM 488 CB VAL A 32 1.008 -3.218 -3.310 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.449 -3.242 -3.797 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.812 -4.354 -2.306 1.00 0.00 C ATOM 0 H VAL A 32 -1.037 -1.002 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.338 -2.149 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 32 0.386 -3.343 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.673 -4.220 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.588 -2.475 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.119 -3.048 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.135 -5.294 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.402 -4.155 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.242 -4.424 -2.037 1.00 0.00 H new ATOM 500 N TYR A 33 2.794 -1.001 -2.269 1.00 0.00 N ATOM 501 CA TYR A 33 3.947 -0.508 -1.512 1.00 0.00 C ATOM 502 C TYR A 33 5.220 -0.495 -2.361 1.00 0.00 C ATOM 503 O TYR A 33 5.265 -1.084 -3.443 1.00 0.00 O ATOM 504 CB TYR A 33 4.055 -1.383 -0.251 1.00 0.00 C ATOM 505 CG TYR A 33 5.213 -2.317 -0.094 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.283 -3.462 -0.859 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.159 -2.112 0.872 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.290 -4.380 -0.672 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.154 -3.023 1.083 1.00 0.00 C ATOM 510 CZ TYR A 33 7.226 -4.159 0.309 1.00 0.00 C ATOM 511 OH TYR A 33 8.230 -5.076 0.523 1.00 0.00 O ATOM 0 H TYR A 33 2.978 -1.101 -3.267 1.00 0.00 H new ATOM 0 HA TYR A 33 3.814 0.533 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.057 -0.715 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.145 -1.980 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.535 -3.641 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.119 -1.218 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.344 -5.265 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.886 -2.852 1.859 1.00 0.00 H new ATOM 0 HH TYR A 33 8.807 -4.766 1.252 1.00 0.00 H new ATOM 521 N GLY A 34 6.242 0.185 -1.845 1.00 0.00 N ATOM 522 CA GLY A 34 7.515 0.280 -2.520 1.00 0.00 C ATOM 523 C GLY A 34 8.663 0.229 -1.539 1.00 0.00 C ATOM 524 O GLY A 34 9.534 1.098 -1.555 1.00 0.00 O ATOM 0 H GLY A 34 6.202 0.679 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.610 -0.535 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.560 1.210 -3.087 1.00 0.00 H new ATOM 528 N GLY A 35 8.636 -0.792 -0.674 1.00 0.00 N ATOM 529 CA GLY A 35 9.662 -0.964 0.343 1.00 0.00 C ATOM 530 C GLY A 35 9.138 -0.676 1.731 1.00 0.00 C ATOM 531 O GLY A 35 8.070 -0.071 1.871 1.00 0.00 O ATOM 0 H GLY A 35 7.911 -1.509 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.043 -1.984 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.501 -0.302 0.128 1.00 0.00 H new ATOM 535 N CYS A 36 9.893 -1.121 2.758 1.00 0.00 N ATOM 536 CA CYS A 36 9.539 -0.937 4.184 1.00 0.00 C ATOM 537 C CYS A 36 8.562 -2.040 4.647 1.00 0.00 C ATOM 538 O CYS A 36 8.447 -3.076 3.983 1.00 0.00 O ATOM 539 CB CYS A 36 8.951 0.470 4.425 1.00 0.00 C ATOM 540 SG CYS A 36 9.907 1.841 3.674 1.00 0.00 S ATOM 0 H CYS A 36 10.771 -1.621 2.621 1.00 0.00 H new ATOM 0 HA CYS A 36 10.448 -1.023 4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.935 0.496 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.881 0.640 5.499 1.00 0.00 H new ATOM 545 N ARG A 37 7.859 -1.819 5.781 1.00 0.00 N ATOM 546 CA ARG A 37 6.897 -2.796 6.323 1.00 0.00 C ATOM 547 C ARG A 37 5.572 -2.792 5.534 1.00 0.00 C ATOM 548 O ARG A 37 4.478 -2.905 6.101 1.00 0.00 O ATOM 549 CB ARG A 37 6.667 -2.545 7.834 1.00 0.00 C ATOM 550 CG ARG A 37 6.046 -1.189 8.180 1.00 0.00 C ATOM 551 CD ARG A 37 4.591 -1.321 8.642 1.00 0.00 C ATOM 552 NE ARG A 37 4.440 -2.101 9.888 1.00 0.00 N ATOM 553 CZ ARG A 37 4.790 -1.679 11.117 1.00 0.00 C ATOM 554 NH1 ARG A 37 5.319 -0.472 11.305 1.00 0.00 N ATOM 555 NH2 ARG A 37 4.607 -2.476 12.160 1.00 0.00 N ATOM 0 H ARG A 37 7.943 -0.968 6.338 1.00 0.00 H new ATOM 0 HA ARG A 37 7.325 -3.792 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.022 -3.333 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.623 -2.632 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.633 -0.712 8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.091 -0.537 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.173 -0.325 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.008 -1.795 7.852 1.00 0.00 H new ATOM 0 HE ARG A 37 4.038 -3.035 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.465 0.150 10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.578 -0.169 12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.203 -3.403 12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.870 -2.162 13.094 1.00 0.00 H new ATOM 569 N ALA A 38 5.700 -2.643 4.203 1.00 0.00 N ATOM 570 CA ALA A 38 4.564 -2.588 3.263 1.00 0.00 C ATOM 571 C ALA A 38 3.560 -1.476 3.650 1.00 0.00 C ATOM 572 O ALA A 38 2.359 -1.560 3.363 1.00 0.00 O ATOM 573 CB ALA A 38 3.888 -3.957 3.119 1.00 0.00 C ATOM 0 H ALA A 38 6.607 -2.556 3.744 1.00 0.00 H new ATOM 0 HA ALA A 38 4.960 -2.327 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.056 -3.880 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.611 -4.682 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.516 -4.283 4.090 1.00 0.00 H new ATOM 579 N LYS A 39 4.103 -0.426 4.317 1.00 0.00 N ATOM 580 CA LYS A 39 3.371 0.757 4.804 1.00 0.00 C ATOM 581 C LYS A 39 2.019 0.398 5.468 1.00 0.00 C ATOM 582 O LYS A 39 1.039 1.147 5.385 1.00 0.00 O ATOM 583 CB LYS A 39 3.232 1.789 3.666 1.00 0.00 C ATOM 584 CG LYS A 39 2.814 3.196 4.113 1.00 0.00 C ATOM 585 CD LYS A 39 3.950 3.936 4.818 1.00 0.00 C ATOM 586 CE LYS A 39 3.478 5.253 5.409 1.00 0.00 C ATOM 587 NZ LYS A 39 4.580 5.979 6.099 1.00 0.00 N ATOM 0 H LYS A 39 5.099 -0.385 4.535 1.00 0.00 H new ATOM 0 HA LYS A 39 3.954 1.214 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.185 1.859 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.499 1.420 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.491 3.771 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.958 3.124 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.359 3.307 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.758 4.123 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.070 5.881 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.669 5.065 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.217 6.872 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.953 5.391 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.341 6.182 5.420 1.00 0.00 H new ATOM 601 N SER A 40 2.008 -0.759 6.167 1.00 0.00 N ATOM 602 CA SER A 40 0.827 -1.271 6.911 1.00 0.00 C ATOM 603 C SER A 40 -0.461 -1.432 6.057 1.00 0.00 C ATOM 604 O SER A 40 -1.494 -1.865 6.584 1.00 0.00 O ATOM 605 CB SER A 40 0.550 -0.374 8.132 1.00 0.00 C ATOM 606 OG SER A 40 -0.473 -0.912 8.956 1.00 0.00 O ATOM 0 H SER A 40 2.822 -1.370 6.233 1.00 0.00 H new ATOM 0 HA SER A 40 1.090 -2.281 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.464 -0.259 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.260 0.621 7.795 1.00 0.00 H new ATOM 0 HG SER A 40 -1.122 -1.392 8.400 1.00 0.00 H new ATOM 612 N ASN A 41 -0.400 -1.110 4.756 1.00 0.00 N ATOM 613 CA ASN A 41 -1.546 -1.243 3.867 1.00 0.00 C ATOM 614 C ASN A 41 -1.242 -2.331 2.848 1.00 0.00 C ATOM 615 O ASN A 41 -0.068 -2.519 2.509 1.00 0.00 O ATOM 616 CB ASN A 41 -1.788 0.057 3.127 1.00 0.00 C ATOM 617 CG ASN A 41 -3.260 0.316 2.830 1.00 0.00 C ATOM 618 OD1 ASN A 41 -4.088 0.296 3.740 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.587 0.608 1.571 1.00 0.00 N ATOM 0 H ASN A 41 0.441 -0.754 4.301 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.430 -1.493 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.393 0.883 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.232 0.042 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.555 0.826 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.870 0.614 0.846 1.00 0.00 H new ATOM 626 N ASN A 42 -2.274 -3.039 2.345 1.00 0.00 N ATOM 627 CA ASN A 42 -2.075 -4.108 1.354 1.00 0.00 C ATOM 628 C ASN A 42 -3.381 -4.883 1.154 1.00 0.00 C ATOM 629 O ASN A 42 -3.623 -5.899 1.819 1.00 0.00 O ATOM 630 CB ASN A 42 -0.916 -5.049 1.796 1.00 0.00 C ATOM 631 CG ASN A 42 -0.617 -6.188 0.831 1.00 0.00 C ATOM 632 OD1 ASN A 42 -1.465 -7.041 0.571 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.602 -6.203 0.300 1.00 0.00 N ATOM 0 H ASN A 42 -3.248 -2.888 2.609 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.794 -3.665 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.012 -4.454 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.161 -5.472 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.865 -6.942 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.274 -5.475 0.544 1.00 0.00 H new ATOM 640 N PHE A 43 -4.214 -4.402 0.227 1.00 0.00 N ATOM 641 CA PHE A 43 -5.475 -5.061 -0.064 1.00 0.00 C ATOM 642 C PHE A 43 -5.424 -5.692 -1.452 1.00 0.00 C ATOM 643 O PHE A 43 -4.489 -5.444 -2.225 1.00 0.00 O ATOM 644 CB PHE A 43 -6.687 -4.120 0.012 1.00 0.00 C ATOM 645 CG PHE A 43 -6.572 -2.874 0.858 1.00 0.00 C ATOM 646 CD1 PHE A 43 -6.081 -2.912 2.155 1.00 0.00 C ATOM 647 CD2 PHE A 43 -6.995 -1.659 0.345 1.00 0.00 C ATOM 648 CE1 PHE A 43 -6.010 -1.761 2.911 1.00 0.00 C ATOM 649 CE2 PHE A 43 -6.933 -0.510 1.101 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.440 -0.560 2.384 1.00 0.00 C ATOM 0 H PHE A 43 -4.034 -3.565 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.607 -5.822 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.933 -3.811 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.534 -4.697 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.752 -3.851 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.379 -1.612 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.618 -1.799 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.271 0.429 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.389 0.340 2.979 1.00 0.00 H new ATOM 660 N LYS A 44 -6.440 -6.506 -1.763 1.00 0.00 N ATOM 661 CA LYS A 44 -6.522 -7.186 -3.070 1.00 0.00 C ATOM 662 C LYS A 44 -7.980 -7.368 -3.541 1.00 0.00 C ATOM 663 O LYS A 44 -8.220 -7.966 -4.598 1.00 0.00 O ATOM 664 CB LYS A 44 -5.819 -8.549 -2.994 1.00 0.00 C ATOM 665 CG LYS A 44 -5.367 -9.101 -4.343 1.00 0.00 C ATOM 666 CD LYS A 44 -4.680 -10.448 -4.190 1.00 0.00 C ATOM 667 CE LYS A 44 -4.230 -10.999 -5.534 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.556 -12.319 -5.395 1.00 0.00 N ATOM 0 H LYS A 44 -7.216 -6.712 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.021 -6.553 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.950 -8.460 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.494 -9.267 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.229 -9.203 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.685 -8.395 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.818 -10.345 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.362 -11.154 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.093 -11.099 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.549 -10.292 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.264 -12.660 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.718 -12.219 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.214 -13.001 -4.967 1.00 0.00 H new ATOM 682 N SER A 45 -8.946 -6.856 -2.759 1.00 0.00 N ATOM 683 CA SER A 45 -10.382 -6.970 -3.090 1.00 0.00 C ATOM 684 C SER A 45 -11.217 -5.938 -2.318 1.00 0.00 C ATOM 685 O SER A 45 -10.664 -5.063 -1.644 1.00 0.00 O ATOM 686 CB SER A 45 -10.897 -8.394 -2.783 1.00 0.00 C ATOM 687 OG SER A 45 -10.248 -9.364 -3.588 1.00 0.00 O ATOM 0 H SER A 45 -8.760 -6.357 -1.889 1.00 0.00 H new ATOM 0 HA SER A 45 -10.491 -6.771 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.732 -8.623 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.973 -8.438 -2.954 1.00 0.00 H new ATOM 0 HG SER A 45 -9.712 -8.914 -4.274 1.00 0.00 H new ATOM 693 N ALA A 46 -12.560 -6.056 -2.417 1.00 0.00 N ATOM 694 CA ALA A 46 -13.492 -5.156 -1.732 1.00 0.00 C ATOM 695 C ALA A 46 -13.525 -5.422 -0.227 1.00 0.00 C ATOM 696 O ALA A 46 -13.595 -4.489 0.579 1.00 0.00 O ATOM 697 CB ALA A 46 -14.887 -5.284 -2.328 1.00 0.00 C ATOM 0 H ALA A 46 -13.019 -6.777 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.139 -4.135 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.568 -4.609 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.856 -5.024 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.238 -6.310 -2.216 1.00 0.00 H new ATOM 703 N GLU A 47 -13.444 -6.708 0.129 1.00 0.00 N ATOM 704 CA GLU A 47 -13.430 -7.159 1.516 1.00 0.00 C ATOM 705 C GLU A 47 -12.110 -6.778 2.198 1.00 0.00 C ATOM 706 O GLU A 47 -12.070 -6.463 3.390 1.00 0.00 O ATOM 707 CB GLU A 47 -13.676 -8.677 1.576 1.00 0.00 C ATOM 708 CG GLU A 47 -12.729 -9.528 0.726 1.00 0.00 C ATOM 709 CD GLU A 47 -13.021 -11.014 0.825 1.00 0.00 C ATOM 710 OE1 GLU A 47 -12.899 -11.574 1.937 1.00 0.00 O ATOM 711 OE2 GLU A 47 -13.370 -11.620 -0.210 1.00 0.00 O ATOM 0 H GLU A 47 -13.386 -7.469 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.233 -6.661 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.596 -9.001 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.700 -8.875 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.805 -9.217 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.702 -9.343 1.040 1.00 0.00 H new ATOM 718 N ASP A 48 -11.051 -6.778 1.384 1.00 0.00 N ATOM 719 CA ASP A 48 -9.698 -6.413 1.787 1.00 0.00 C ATOM 720 C ASP A 48 -9.619 -4.926 2.110 1.00 0.00 C ATOM 721 O ASP A 48 -9.204 -4.500 3.188 1.00 0.00 O ATOM 722 CB ASP A 48 -8.766 -6.708 0.628 1.00 0.00 C ATOM 723 CG ASP A 48 -8.547 -8.197 0.364 1.00 0.00 C ATOM 724 OD1 ASP A 48 -9.109 -9.034 1.107 1.00 0.00 O ATOM 725 OD2 ASP A 48 -7.810 -8.525 -0.589 1.00 0.00 O ATOM 0 H ASP A 48 -11.117 -7.040 0.400 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.418 -6.981 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.168 -6.246 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.802 -6.239 0.824 1.00 0.00 H new ATOM 730 N CYS A 49 -10.041 -4.171 1.117 1.00 0.00 N ATOM 731 CA CYS A 49 -10.098 -2.716 1.127 1.00 0.00 C ATOM 732 C CYS A 49 -10.947 -2.178 2.291 1.00 0.00 C ATOM 733 O CYS A 49 -10.551 -1.232 2.987 1.00 0.00 O ATOM 734 CB CYS A 49 -10.732 -2.325 -0.200 1.00 0.00 C ATOM 735 SG CYS A 49 -10.454 -0.609 -0.738 1.00 0.00 S ATOM 0 H CYS A 49 -10.370 -4.570 0.238 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.101 -2.295 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.353 -2.994 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.807 -2.494 -0.131 1.00 0.00 H new ATOM 740 N MET A 50 -12.121 -2.799 2.474 1.00 0.00 N ATOM 741 CA MET A 50 -13.079 -2.415 3.511 1.00 0.00 C ATOM 742 C MET A 50 -12.665 -2.829 4.927 1.00 0.00 C ATOM 743 O MET A 50 -12.817 -2.047 5.865 1.00 0.00 O ATOM 744 CB MET A 50 -14.443 -2.989 3.174 1.00 0.00 C ATOM 745 CG MET A 50 -15.267 -2.093 2.266 1.00 0.00 C ATOM 746 SD MET A 50 -16.908 -2.758 1.931 1.00 0.00 S ATOM 747 CE MET A 50 -17.615 -1.417 0.979 1.00 0.00 C ATOM 0 H MET A 50 -12.431 -3.585 1.902 1.00 0.00 H new ATOM 0 HA MET A 50 -13.110 -1.325 3.519 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.312 -3.959 2.694 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.994 -3.163 4.098 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.365 -1.110 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.737 -1.953 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.635 -1.673 0.692 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.624 -0.509 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.017 -1.252 0.083 1.00 0.00 H new ATOM 757 N ARG A 51 -12.148 -4.056 5.077 1.00 0.00 N ATOM 758 CA ARG A 51 -11.717 -4.579 6.388 1.00 0.00 C ATOM 759 C ARG A 51 -10.664 -3.677 7.057 1.00 0.00 C ATOM 760 O ARG A 51 -10.618 -3.559 8.285 1.00 0.00 O ATOM 761 CB ARG A 51 -11.146 -6.001 6.219 1.00 0.00 C ATOM 762 CG ARG A 51 -9.817 -6.046 5.474 1.00 0.00 C ATOM 763 CD ARG A 51 -9.451 -7.427 4.990 1.00 0.00 C ATOM 764 NE ARG A 51 -8.170 -7.400 4.273 1.00 0.00 N ATOM 765 CZ ARG A 51 -7.519 -8.484 3.826 1.00 0.00 C ATOM 766 NH1 ARG A 51 -8.002 -9.709 4.027 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.376 -8.337 3.172 1.00 0.00 N ATOM 0 H ARG A 51 -12.016 -4.710 4.305 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.593 -4.600 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.015 -6.449 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.872 -6.613 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.864 -5.370 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.028 -5.677 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.386 -8.110 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.234 -7.808 4.334 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.744 -6.489 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.881 -9.835 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.493 -10.521 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.997 -7.404 3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.875 -9.157 2.829 1.00 0.00 H new ATOM 781 N THR A 52 -9.800 -3.099 6.218 1.00 0.00 N ATOM 782 CA THR A 52 -8.704 -2.261 6.672 1.00 0.00 C ATOM 783 C THR A 52 -9.092 -0.769 6.806 1.00 0.00 C ATOM 784 O THR A 52 -8.862 -0.170 7.861 1.00 0.00 O ATOM 785 CB THR A 52 -7.501 -2.425 5.741 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.317 -3.786 5.387 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.185 -1.943 6.333 1.00 0.00 C ATOM 0 H THR A 52 -9.847 -3.204 5.204 1.00 0.00 H new ATOM 0 HA THR A 52 -8.441 -2.597 7.675 1.00 0.00 H new ATOM 0 HB THR A 52 -7.742 -1.806 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.926 -4.019 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.384 -2.095 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.261 -0.883 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.966 -2.506 7.240 1.00 0.00 H new ATOM 795 N CYS A 53 -9.641 -0.169 5.730 1.00 0.00 N ATOM 796 CA CYS A 53 -10.008 1.264 5.742 1.00 0.00 C ATOM 797 C CYS A 53 -11.506 1.509 5.484 1.00 0.00 C ATOM 798 O CYS A 53 -11.977 2.642 5.626 1.00 0.00 O ATOM 799 CB CYS A 53 -9.145 2.013 4.706 1.00 0.00 C ATOM 800 SG CYS A 53 -9.722 3.691 4.254 1.00 0.00 S ATOM 0 H CYS A 53 -9.839 -0.647 4.851 1.00 0.00 H new ATOM 0 HA CYS A 53 -9.813 1.647 6.744 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.130 2.091 5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.094 1.410 3.799 1.00 0.00 H new ATOM 805 N GLY A 54 -12.249 0.458 5.112 1.00 0.00 N ATOM 806 CA GLY A 54 -13.685 0.597 4.842 1.00 0.00 C ATOM 807 C GLY A 54 -14.531 0.737 6.102 1.00 0.00 C ATOM 808 O GLY A 54 -15.443 1.568 6.148 1.00 0.00 O ATOM 0 H GLY A 54 -11.884 -0.487 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.844 1.469 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.026 -0.272 4.280 1.00 0.00 H new