USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.143 (180deg=-3.16!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 134:sc= 1.21 (180deg=0.943) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 7 THR OG1 : rot -47:sc= 1.28 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.974 USER MOD Single : A 14 ASN : amide:sc= -0.653 K(o=-0.65,f=-7.2!) USER MOD Single : A 22 ASN : amide:sc= -0.741 X(o=-0.74,f=-0.96) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 108:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.07) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 2.65 (180deg=2.56) USER MOD Single : A 48 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.323 0.317 8.626 1.00 0.00 N ATOM 2 CA MET A 1 -4.567 0.844 9.767 1.00 0.00 C ATOM 3 C MET A 1 -3.461 -0.161 9.992 1.00 0.00 C ATOM 4 O MET A 1 -3.662 -1.300 9.593 1.00 0.00 O ATOM 5 CB MET A 1 -4.095 2.295 9.583 1.00 0.00 C ATOM 6 CG MET A 1 -5.327 3.174 9.583 1.00 0.00 C ATOM 7 SD MET A 1 -5.112 4.936 9.937 1.00 0.00 S ATOM 8 CE MET A 1 -5.278 4.870 11.737 1.00 0.00 C ATOM 0 H1 MET A 1 -6.342 0.397 8.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.088 0.862 7.772 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.076 -0.682 8.478 1.00 0.00 H new ATOM 0 HA MET A 1 -5.189 0.939 10.657 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.418 2.583 10.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.545 2.404 8.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.801 3.085 8.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.026 2.769 10.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.174 5.874 12.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.258 4.471 11.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.502 4.226 12.151 1.00 0.00 H new ATOM 20 N LYS A 2 -2.353 0.247 10.598 1.00 0.00 N ATOM 21 CA LYS A 2 -1.127 -0.522 10.697 1.00 0.00 C ATOM 22 C LYS A 2 -0.517 -0.823 9.332 1.00 0.00 C ATOM 23 O LYS A 2 -1.137 -0.643 8.286 1.00 0.00 O ATOM 24 CB LYS A 2 -1.348 -1.817 11.459 1.00 0.00 C ATOM 25 CG LYS A 2 -2.213 -1.616 12.700 1.00 0.00 C ATOM 26 CD LYS A 2 -2.069 -2.896 13.514 1.00 0.00 C ATOM 27 CE LYS A 2 -3.285 -3.185 14.399 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.472 -2.146 15.429 1.00 0.00 N ATOM 0 H LYS A 2 -2.285 1.159 11.050 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.421 0.099 11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.822 -2.546 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.384 -2.232 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.882 -0.749 13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.254 -1.440 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.913 -3.735 12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.180 -2.823 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.179 -3.247 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.162 -4.156 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.305 -2.377 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.629 -2.104 16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.614 -1.224 14.970 1.00 0.00 H new ATOM 42 N LYS A 3 0.737 -1.257 9.352 1.00 0.00 N ATOM 43 CA LYS A 3 1.498 -1.481 8.143 1.00 0.00 C ATOM 44 C LYS A 3 1.075 -2.806 7.522 1.00 0.00 C ATOM 45 O LYS A 3 0.394 -3.600 8.165 1.00 0.00 O ATOM 46 CB LYS A 3 2.984 -1.400 8.486 1.00 0.00 C ATOM 47 CG LYS A 3 3.282 -0.012 9.068 1.00 0.00 C ATOM 48 CD LYS A 3 4.706 0.108 9.611 1.00 0.00 C ATOM 49 CE LYS A 3 5.843 0.103 8.590 1.00 0.00 C ATOM 50 NZ LYS A 3 7.144 0.181 9.285 1.00 0.00 N ATOM 0 H LYS A 3 1.249 -1.462 10.210 1.00 0.00 H new ATOM 0 HA LYS A 3 1.303 -0.718 7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.248 -2.175 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.587 -1.573 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.127 0.742 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.573 0.201 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.772 1.031 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.873 -0.714 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.797 -0.803 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.734 0.946 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.797 -0.520 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.543 1.134 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.009 -0.016 10.297 1.00 0.00 H new ATOM 64 N TYR A 4 1.474 -3.037 6.274 1.00 0.00 N ATOM 65 CA TYR A 4 1.140 -4.254 5.535 1.00 0.00 C ATOM 66 C TYR A 4 2.197 -4.610 4.491 1.00 0.00 C ATOM 67 O TYR A 4 2.796 -3.712 3.909 1.00 0.00 O ATOM 68 CB TYR A 4 -0.164 -4.052 4.764 1.00 0.00 C ATOM 69 CG TYR A 4 -1.433 -4.286 5.547 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.954 -3.277 6.366 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.140 -5.486 5.385 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.127 -3.508 7.092 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.312 -5.724 6.121 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.799 -4.736 6.991 1.00 0.00 C ATOM 75 OH TYR A 4 -4.971 -4.926 7.660 1.00 0.00 O ATOM 0 H TYR A 4 2.043 -2.379 5.741 1.00 0.00 H new ATOM 0 HA TYR A 4 1.067 -5.049 6.277 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.181 -3.033 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.162 -4.720 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.452 -2.323 6.437 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.781 -6.231 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.519 -2.735 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.836 -6.663 6.018 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.306 -5.830 7.482 1.00 0.00 H new ATOM 85 N THR A 5 2.364 -5.902 4.192 1.00 0.00 N ATOM 86 CA THR A 5 3.211 -6.384 3.099 1.00 0.00 C ATOM 87 C THR A 5 2.529 -6.243 1.722 1.00 0.00 C ATOM 88 O THR A 5 1.299 -6.201 1.642 1.00 0.00 O ATOM 89 CB THR A 5 3.596 -7.843 3.399 1.00 0.00 C ATOM 90 OG1 THR A 5 3.769 -7.999 4.796 1.00 0.00 O ATOM 91 CG2 THR A 5 4.898 -8.260 2.708 1.00 0.00 C ATOM 0 H THR A 5 1.908 -6.652 4.711 1.00 0.00 H new ATOM 0 HA THR A 5 4.109 -5.769 3.042 1.00 0.00 H new ATOM 0 HB THR A 5 2.792 -8.474 3.020 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.013 -8.927 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.124 -9.298 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.786 -8.158 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.712 -7.621 3.050 1.00 0.00 H new ATOM 99 N CYS A 6 3.329 -6.177 0.646 1.00 0.00 N ATOM 100 CA CYS A 6 2.886 -6.334 -0.743 1.00 0.00 C ATOM 101 C CYS A 6 2.513 -7.803 -0.979 1.00 0.00 C ATOM 102 O CYS A 6 2.859 -8.673 -0.181 1.00 0.00 O ATOM 103 CB CYS A 6 3.999 -5.873 -1.670 1.00 0.00 C ATOM 104 SG CYS A 6 3.735 -6.155 -3.461 1.00 0.00 S ATOM 0 H CYS A 6 4.332 -6.008 0.724 1.00 0.00 H new ATOM 0 HA CYS A 6 2.006 -5.725 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.156 -4.806 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.919 -6.378 -1.376 1.00 0.00 H new ATOM 109 N THR A 7 1.835 -8.072 -2.097 1.00 0.00 N ATOM 110 CA THR A 7 1.546 -9.389 -2.635 1.00 0.00 C ATOM 111 C THR A 7 2.769 -10.308 -2.609 1.00 0.00 C ATOM 112 O THR A 7 2.635 -11.501 -2.346 1.00 0.00 O ATOM 113 CB THR A 7 1.073 -9.190 -4.084 1.00 0.00 C ATOM 114 OG1 THR A 7 0.171 -8.104 -4.139 1.00 0.00 O ATOM 115 CG2 THR A 7 0.408 -10.432 -4.681 1.00 0.00 C ATOM 0 H THR A 7 1.454 -7.327 -2.680 1.00 0.00 H new ATOM 0 HA THR A 7 0.784 -9.870 -2.022 1.00 0.00 H new ATOM 0 HB THR A 7 1.963 -8.989 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.492 -8.193 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.098 -10.222 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.116 -11.261 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.465 -10.699 -4.085 1.00 0.00 H new ATOM 123 N VAL A 8 3.946 -9.775 -2.963 1.00 0.00 N ATOM 124 CA VAL A 8 5.151 -10.582 -3.129 1.00 0.00 C ATOM 125 C VAL A 8 6.448 -9.764 -3.077 1.00 0.00 C ATOM 126 O VAL A 8 7.464 -10.301 -2.634 1.00 0.00 O ATOM 127 CB VAL A 8 5.045 -11.474 -4.389 1.00 0.00 C ATOM 128 CG1 VAL A 8 4.750 -10.683 -5.669 1.00 0.00 C ATOM 129 CG2 VAL A 8 6.297 -12.338 -4.600 1.00 0.00 C ATOM 0 H VAL A 8 4.084 -8.780 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 8 5.214 -11.243 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 8 4.194 -12.126 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.689 -11.368 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.803 -10.155 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.549 -9.962 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.173 -12.945 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.168 -11.694 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.439 -12.989 -3.737 1.00 0.00 H new ATOM 139 N CYS A 9 6.471 -8.506 -3.539 1.00 0.00 N ATOM 140 CA CYS A 9 7.719 -7.752 -3.531 1.00 0.00 C ATOM 141 C CYS A 9 8.030 -7.238 -2.118 1.00 0.00 C ATOM 142 O CYS A 9 7.224 -7.355 -1.194 1.00 0.00 O ATOM 143 CB CYS A 9 7.713 -6.673 -4.587 1.00 0.00 C ATOM 144 SG CYS A 9 6.912 -5.162 -4.010 1.00 0.00 S ATOM 0 H CYS A 9 5.663 -8.007 -3.911 1.00 0.00 H new ATOM 0 HA CYS A 9 8.540 -8.417 -3.800 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.738 -6.449 -4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.198 -7.039 -5.476 1.00 0.00 H new ATOM 149 N GLY A 10 9.219 -6.664 -1.932 1.00 0.00 N ATOM 150 CA GLY A 10 9.664 -6.195 -0.631 1.00 0.00 C ATOM 151 C GLY A 10 9.254 -4.745 -0.382 1.00 0.00 C ATOM 152 O GLY A 10 10.107 -3.937 -0.020 1.00 0.00 O ATOM 0 H GLY A 10 9.895 -6.514 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.244 -6.831 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.748 -6.283 -0.564 1.00 0.00 H new ATOM 156 N TYR A 11 7.970 -4.410 -0.560 1.00 0.00 N ATOM 157 CA TYR A 11 7.477 -3.043 -0.401 1.00 0.00 C ATOM 158 C TYR A 11 6.311 -3.007 0.590 1.00 0.00 C ATOM 159 O TYR A 11 5.143 -3.087 0.219 1.00 0.00 O ATOM 160 CB TYR A 11 7.141 -2.432 -1.772 1.00 0.00 C ATOM 161 CG TYR A 11 7.519 -0.969 -1.904 1.00 0.00 C ATOM 162 CD1 TYR A 11 6.916 0.005 -1.086 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.548 -0.597 -2.790 1.00 0.00 C ATOM 164 CE1 TYR A 11 7.328 1.348 -1.170 1.00 0.00 C ATOM 165 CE2 TYR A 11 8.963 0.741 -2.863 1.00 0.00 C ATOM 166 CZ TYR A 11 8.331 1.720 -2.081 1.00 0.00 C ATOM 167 OH TYR A 11 8.672 3.030 -2.238 1.00 0.00 O ATOM 0 H TYR A 11 7.247 -5.081 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 11 8.259 -2.417 0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.654 -3.001 -2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.071 -2.538 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.137 -0.278 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.018 -1.343 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.873 2.093 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.771 1.019 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 11 9.384 3.105 -2.907 1.00 0.00 H new ATOM 177 N ILE A 12 6.631 -2.888 1.880 1.00 0.00 N ATOM 178 CA ILE A 12 5.623 -2.732 2.921 1.00 0.00 C ATOM 179 C ILE A 12 4.934 -1.371 2.770 1.00 0.00 C ATOM 180 O ILE A 12 5.607 -0.342 2.734 1.00 0.00 O ATOM 181 CB ILE A 12 6.269 -2.946 4.308 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.345 -4.463 4.563 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.507 -2.242 5.448 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.326 -4.855 5.671 1.00 0.00 C ATOM 0 H ILE A 12 7.590 -2.897 2.227 1.00 0.00 H new ATOM 0 HA ILE A 12 4.845 -3.489 2.821 1.00 0.00 H new ATOM 0 HB ILE A 12 7.262 -2.497 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.352 -4.828 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.636 -4.963 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.012 -2.432 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.481 -1.169 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.488 -2.627 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.324 -5.938 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.329 -4.522 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.025 -4.385 6.607 1.00 0.00 H new ATOM 196 N TYR A 13 3.599 -1.361 2.712 1.00 0.00 N ATOM 197 CA TYR A 13 2.812 -0.139 2.763 1.00 0.00 C ATOM 198 C TYR A 13 2.729 0.327 4.217 1.00 0.00 C ATOM 199 O TYR A 13 2.509 -0.493 5.116 1.00 0.00 O ATOM 200 CB TYR A 13 1.406 -0.372 2.183 1.00 0.00 C ATOM 201 CG TYR A 13 0.505 0.848 2.290 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.899 2.062 1.701 1.00 0.00 C ATOM 203 CD2 TYR A 13 -0.645 0.815 3.100 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.198 3.245 1.989 1.00 0.00 C ATOM 205 CE2 TYR A 13 -1.290 2.015 3.465 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.880 3.233 2.888 1.00 0.00 C ATOM 207 OH TYR A 13 -1.597 4.384 3.069 1.00 0.00 O ATOM 0 H TYR A 13 3.037 -2.208 2.628 1.00 0.00 H new ATOM 0 HA TYR A 13 3.291 0.631 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.495 -0.659 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.939 -1.208 2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.742 2.085 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.035 -0.132 3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.491 4.170 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.095 2.000 4.184 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.313 4.225 3.719 1.00 0.00 H new ATOM 217 N ASN A 14 2.892 1.636 4.443 1.00 0.00 N ATOM 218 CA ASN A 14 2.797 2.261 5.756 1.00 0.00 C ATOM 219 C ASN A 14 1.725 3.343 5.751 1.00 0.00 C ATOM 220 O ASN A 14 1.906 4.361 5.091 1.00 0.00 O ATOM 221 CB ASN A 14 4.150 2.857 6.166 1.00 0.00 C ATOM 222 CG ASN A 14 4.123 3.377 7.604 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.109 3.301 8.291 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.247 3.868 8.095 1.00 0.00 N ATOM 0 H ASN A 14 3.098 2.300 3.697 1.00 0.00 H new ATOM 0 HA ASN A 14 2.520 1.497 6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.927 2.099 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.410 3.671 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.283 4.192 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.079 3.923 7.508 1.00 0.00 H new ATOM 231 N PRO A 15 0.615 3.172 6.483 1.00 0.00 N ATOM 232 CA PRO A 15 -0.451 4.147 6.456 1.00 0.00 C ATOM 233 C PRO A 15 -0.025 5.477 7.035 1.00 0.00 C ATOM 234 O PRO A 15 -0.403 6.505 6.487 1.00 0.00 O ATOM 235 CB PRO A 15 -1.634 3.552 7.213 1.00 0.00 C ATOM 236 CG PRO A 15 -1.048 2.389 8.003 1.00 0.00 C ATOM 237 CD PRO A 15 0.316 2.077 7.387 1.00 0.00 C ATOM 0 HA PRO A 15 -0.731 4.360 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.091 4.288 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.411 3.213 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.945 2.650 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.703 1.519 7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.081 1.990 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.293 1.127 6.853 1.00 0.00 H new ATOM 245 N GLU A 16 0.765 5.481 8.106 1.00 0.00 N ATOM 246 CA GLU A 16 1.175 6.720 8.734 1.00 0.00 C ATOM 247 C GLU A 16 1.947 7.606 7.753 1.00 0.00 C ATOM 248 O GLU A 16 1.839 8.831 7.800 1.00 0.00 O ATOM 249 CB GLU A 16 1.989 6.395 9.980 1.00 0.00 C ATOM 250 CG GLU A 16 1.142 5.597 10.987 1.00 0.00 C ATOM 251 CD GLU A 16 1.638 5.782 12.414 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.809 5.423 12.658 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.833 6.279 13.232 1.00 0.00 O ATOM 0 H GLU A 16 1.130 4.639 8.551 1.00 0.00 H new ATOM 0 HA GLU A 16 0.295 7.290 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.873 5.820 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.340 7.317 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.102 5.915 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.169 4.539 10.727 1.00 0.00 H new ATOM 260 N ASP A 17 2.677 6.967 6.839 1.00 0.00 N ATOM 261 CA ASP A 17 3.443 7.648 5.802 1.00 0.00 C ATOM 262 C ASP A 17 2.559 7.882 4.576 1.00 0.00 C ATOM 263 O ASP A 17 2.735 8.856 3.845 1.00 0.00 O ATOM 264 CB ASP A 17 4.645 6.788 5.400 1.00 0.00 C ATOM 265 CG ASP A 17 5.711 6.599 6.473 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.850 7.497 7.330 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.374 5.536 6.420 1.00 0.00 O ATOM 0 H ASP A 17 2.752 5.951 6.800 1.00 0.00 H new ATOM 0 HA ASP A 17 3.792 8.606 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.281 5.806 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.113 7.237 4.524 1.00 0.00 H new ATOM 272 N GLY A 18 1.616 6.970 4.331 1.00 0.00 N ATOM 273 CA GLY A 18 0.913 6.872 3.076 1.00 0.00 C ATOM 274 C GLY A 18 1.879 6.533 1.940 1.00 0.00 C ATOM 275 O GLY A 18 2.968 6.010 2.168 1.00 0.00 O ATOM 0 H GLY A 18 1.324 6.274 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.141 6.105 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.408 7.814 2.862 1.00 0.00 H new ATOM 279 N ASP A 19 1.461 6.844 0.715 1.00 0.00 N ATOM 280 CA ASP A 19 2.257 6.777 -0.503 1.00 0.00 C ATOM 281 C ASP A 19 1.847 7.976 -1.379 1.00 0.00 C ATOM 282 O ASP A 19 1.299 7.808 -2.477 1.00 0.00 O ATOM 283 CB ASP A 19 2.051 5.402 -1.185 1.00 0.00 C ATOM 284 CG ASP A 19 3.293 4.520 -1.139 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.370 5.034 -1.513 1.00 0.00 O ATOM 286 OD2 ASP A 19 3.132 3.332 -0.787 1.00 0.00 O ATOM 0 H ASP A 19 0.509 7.166 0.539 1.00 0.00 H new ATOM 0 HA ASP A 19 3.327 6.849 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.225 4.882 -0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.762 5.558 -2.224 1.00 0.00 H new ATOM 291 N PRO A 20 2.049 9.216 -0.897 1.00 0.00 N ATOM 292 CA PRO A 20 1.514 10.405 -1.544 1.00 0.00 C ATOM 293 C PRO A 20 2.066 10.555 -2.954 1.00 0.00 C ATOM 294 O PRO A 20 1.342 10.979 -3.851 1.00 0.00 O ATOM 295 CB PRO A 20 1.871 11.590 -0.647 1.00 0.00 C ATOM 296 CG PRO A 20 3.022 11.071 0.216 1.00 0.00 C ATOM 297 CD PRO A 20 2.743 9.573 0.330 1.00 0.00 C ATOM 0 HA PRO A 20 0.432 10.341 -1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.173 12.458 -1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.022 11.898 -0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.989 11.264 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.037 11.551 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.669 9.008 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.132 9.352 1.205 1.00 0.00 H new ATOM 305 N ASP A 21 3.319 10.144 -3.161 1.00 0.00 N ATOM 306 CA ASP A 21 4.008 10.168 -4.435 1.00 0.00 C ATOM 307 C ASP A 21 3.201 9.426 -5.501 1.00 0.00 C ATOM 308 O ASP A 21 3.268 9.752 -6.684 1.00 0.00 O ATOM 309 CB ASP A 21 5.378 9.506 -4.230 1.00 0.00 C ATOM 310 CG ASP A 21 6.203 10.209 -3.161 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.756 10.139 -1.993 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.239 10.803 -3.528 1.00 0.00 O ATOM 0 H ASP A 21 3.898 9.771 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 21 4.130 11.194 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.237 8.462 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.927 9.511 -5.172 1.00 0.00 H new ATOM 317 N ASN A 22 2.446 8.413 -5.065 1.00 0.00 N ATOM 318 CA ASN A 22 1.684 7.506 -5.908 1.00 0.00 C ATOM 319 C ASN A 22 0.201 7.863 -5.885 1.00 0.00 C ATOM 320 O ASN A 22 -0.528 7.527 -6.814 1.00 0.00 O ATOM 321 CB ASN A 22 1.909 6.074 -5.420 1.00 0.00 C ATOM 322 CG ASN A 22 3.391 5.767 -5.264 1.00 0.00 C ATOM 323 OD1 ASN A 22 4.032 5.278 -6.187 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.937 6.058 -4.087 1.00 0.00 N ATOM 0 H ASN A 22 2.350 8.199 -4.072 1.00 0.00 H new ATOM 0 HA ASN A 22 2.024 7.595 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.404 5.930 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.463 5.373 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.927 5.875 -3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.366 6.464 -3.346 1.00 0.00 H new ATOM 331 N GLY A 23 -0.234 8.548 -4.825 1.00 0.00 N ATOM 332 CA GLY A 23 -1.551 9.159 -4.728 1.00 0.00 C ATOM 333 C GLY A 23 -2.265 8.857 -3.410 1.00 0.00 C ATOM 334 O GLY A 23 -3.456 9.135 -3.287 1.00 0.00 O ATOM 0 H GLY A 23 0.338 8.694 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.452 10.239 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.168 8.808 -5.555 1.00 0.00 H new ATOM 338 N VAL A 24 -1.568 8.289 -2.422 1.00 0.00 N ATOM 339 CA VAL A 24 -2.153 7.871 -1.155 1.00 0.00 C ATOM 340 C VAL A 24 -1.644 8.794 -0.051 1.00 0.00 C ATOM 341 O VAL A 24 -0.476 8.746 0.314 1.00 0.00 O ATOM 342 CB VAL A 24 -1.770 6.408 -0.912 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.165 5.931 0.485 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.451 5.505 -1.946 1.00 0.00 C ATOM 0 H VAL A 24 -0.567 8.106 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.241 7.941 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.686 6.347 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.873 4.888 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.660 6.541 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.244 6.023 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.171 4.467 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.533 5.609 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.134 5.795 -2.948 1.00 0.00 H new ATOM 354 N ASN A 25 -2.505 9.658 0.477 1.00 0.00 N ATOM 355 CA ASN A 25 -2.115 10.609 1.511 1.00 0.00 C ATOM 356 C ASN A 25 -1.668 9.879 2.785 1.00 0.00 C ATOM 357 O ASN A 25 -2.106 8.754 3.029 1.00 0.00 O ATOM 358 CB ASN A 25 -3.290 11.549 1.807 1.00 0.00 C ATOM 359 CG ASN A 25 -3.340 12.712 0.824 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.075 13.853 1.187 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.664 12.440 -0.439 1.00 0.00 N ATOM 0 H ASN A 25 -3.486 9.719 0.203 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.269 11.196 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.225 10.990 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.201 11.934 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.696 13.190 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.880 11.482 -0.715 1.00 0.00 H new ATOM 368 N PRO A 26 -0.826 10.496 3.629 1.00 0.00 N ATOM 369 CA PRO A 26 -0.527 9.936 4.930 1.00 0.00 C ATOM 370 C PRO A 26 -1.798 9.799 5.764 1.00 0.00 C ATOM 371 O PRO A 26 -2.752 10.562 5.617 1.00 0.00 O ATOM 372 CB PRO A 26 0.507 10.850 5.584 1.00 0.00 C ATOM 373 CG PRO A 26 0.436 12.150 4.786 1.00 0.00 C ATOM 374 CD PRO A 26 -0.146 11.763 3.426 1.00 0.00 C ATOM 0 HA PRO A 26 -0.120 8.929 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.277 11.018 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.505 10.413 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.194 12.885 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.424 12.598 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.838 12.524 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.641 11.668 2.677 1.00 0.00 H new ATOM 382 N GLY A 27 -1.799 8.783 6.619 1.00 0.00 N ATOM 383 CA GLY A 27 -2.922 8.383 7.440 1.00 0.00 C ATOM 384 C GLY A 27 -4.025 7.692 6.644 1.00 0.00 C ATOM 385 O GLY A 27 -5.133 7.570 7.162 1.00 0.00 O ATOM 0 H GLY A 27 -0.979 8.194 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.571 7.711 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.335 9.262 7.935 1.00 0.00 H new ATOM 389 N THR A 28 -3.762 7.210 5.422 1.00 0.00 N ATOM 390 CA THR A 28 -4.786 6.532 4.660 1.00 0.00 C ATOM 391 C THR A 28 -4.741 5.062 5.021 1.00 0.00 C ATOM 392 O THR A 28 -3.717 4.402 4.829 1.00 0.00 O ATOM 393 CB THR A 28 -4.531 6.736 3.166 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.673 8.098 2.832 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.539 5.957 2.336 1.00 0.00 C ATOM 0 H THR A 28 -2.857 7.282 4.956 1.00 0.00 H new ATOM 0 HA THR A 28 -5.773 6.934 4.890 1.00 0.00 H new ATOM 0 HB THR A 28 -3.520 6.388 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.791 8.484 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.339 6.117 1.277 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.455 4.895 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.546 6.300 2.571 1.00 0.00 H new ATOM 403 N ASP A 29 -5.861 4.538 5.508 1.00 0.00 N ATOM 404 CA ASP A 29 -5.997 3.118 5.721 1.00 0.00 C ATOM 405 C ASP A 29 -5.913 2.406 4.384 1.00 0.00 C ATOM 406 O ASP A 29 -6.573 2.810 3.433 1.00 0.00 O ATOM 407 CB ASP A 29 -7.346 2.830 6.367 1.00 0.00 C ATOM 408 CG ASP A 29 -7.386 1.441 6.958 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.964 0.493 6.267 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.724 1.314 8.158 1.00 0.00 O ATOM 0 H ASP A 29 -6.685 5.084 5.760 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.200 2.765 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.542 3.565 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.137 2.934 5.624 1.00 0.00 H new ATOM 415 N PHE A 30 -5.157 1.315 4.336 1.00 0.00 N ATOM 416 CA PHE A 30 -5.177 0.376 3.227 1.00 0.00 C ATOM 417 C PHE A 30 -6.610 0.134 2.713 1.00 0.00 C ATOM 418 O PHE A 30 -6.852 0.092 1.503 1.00 0.00 O ATOM 419 CB PHE A 30 -4.508 -0.929 3.686 1.00 0.00 C ATOM 420 CG PHE A 30 -3.759 -1.704 2.621 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.246 -1.796 1.309 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.535 -2.311 2.942 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.505 -2.448 0.320 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.792 -2.977 1.953 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.288 -3.043 0.646 1.00 0.00 C ATOM 0 H PHE A 30 -4.505 1.057 5.077 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.622 0.792 2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.813 -0.693 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.275 -1.578 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.202 -1.359 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.162 -2.266 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.874 -2.491 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.845 -3.435 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.723 -3.559 -0.116 1.00 0.00 H new ATOM 435 N LYS A 31 -7.598 -0.003 3.602 1.00 0.00 N ATOM 436 CA LYS A 31 -8.943 -0.267 3.110 1.00 0.00 C ATOM 437 C LYS A 31 -9.489 0.943 2.337 1.00 0.00 C ATOM 438 O LYS A 31 -10.205 0.780 1.353 1.00 0.00 O ATOM 439 CB LYS A 31 -9.845 -0.720 4.250 1.00 0.00 C ATOM 440 CG LYS A 31 -10.143 0.474 5.142 1.00 0.00 C ATOM 441 CD LYS A 31 -10.707 0.008 6.478 1.00 0.00 C ATOM 442 CE LYS A 31 -11.036 1.225 7.360 1.00 0.00 C ATOM 443 NZ LYS A 31 -10.328 1.189 8.654 1.00 0.00 N ATOM 0 H LYS A 31 -7.498 0.061 4.615 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.913 -1.090 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.772 -1.137 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.360 -1.509 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.233 1.051 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.856 1.136 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.605 -0.588 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.985 -0.634 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.769 2.138 6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.111 1.262 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.813 1.810 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.321 0.215 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.350 1.516 8.524 1.00 0.00 H new ATOM 457 N ASP A 32 -9.120 2.146 2.786 1.00 0.00 N ATOM 458 CA ASP A 32 -9.560 3.415 2.234 1.00 0.00 C ATOM 459 C ASP A 32 -8.814 3.699 0.929 1.00 0.00 C ATOM 460 O ASP A 32 -9.290 4.495 0.122 1.00 0.00 O ATOM 461 CB ASP A 32 -9.314 4.568 3.227 1.00 0.00 C ATOM 462 CG ASP A 32 -10.003 4.451 4.582 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.863 3.558 4.746 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.615 5.244 5.467 1.00 0.00 O ATOM 0 H ASP A 32 -8.482 2.259 3.574 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.631 3.348 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.240 4.651 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.636 5.498 2.758 1.00 0.00 H new ATOM 469 N ILE A 33 -7.638 3.089 0.708 1.00 0.00 N ATOM 470 CA ILE A 33 -6.902 3.273 -0.522 1.00 0.00 C ATOM 471 C ILE A 33 -7.816 2.899 -1.686 1.00 0.00 C ATOM 472 O ILE A 33 -8.433 1.834 -1.637 1.00 0.00 O ATOM 473 CB ILE A 33 -5.677 2.366 -0.498 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.731 2.796 0.613 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.909 2.336 -1.799 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.372 2.111 0.547 1.00 0.00 C ATOM 0 H ILE A 33 -7.188 2.465 1.377 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.576 4.307 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.060 1.360 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.589 3.875 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.192 2.581 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.053 1.669 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.559 1.977 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.560 3.341 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.747 2.463 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.504 1.032 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.891 2.347 -0.402 1.00 0.00 H new ATOM 488 N PRO A 34 -7.865 3.714 -2.742 1.00 0.00 N ATOM 489 CA PRO A 34 -8.646 3.394 -3.913 1.00 0.00 C ATOM 490 C PRO A 34 -8.107 2.114 -4.529 1.00 0.00 C ATOM 491 O PRO A 34 -6.899 1.952 -4.669 1.00 0.00 O ATOM 492 CB PRO A 34 -8.486 4.566 -4.879 1.00 0.00 C ATOM 493 CG PRO A 34 -7.401 5.474 -4.281 1.00 0.00 C ATOM 494 CD PRO A 34 -6.974 4.833 -2.962 1.00 0.00 C ATOM 0 HA PRO A 34 -9.698 3.240 -3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.197 4.216 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.426 5.107 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.553 5.564 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.786 6.480 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.937 4.500 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.041 5.549 -2.143 1.00 0.00 H new ATOM 502 N ASP A 35 -8.989 1.215 -4.949 1.00 0.00 N ATOM 503 CA ASP A 35 -8.589 -0.041 -5.539 1.00 0.00 C ATOM 504 C ASP A 35 -8.019 0.146 -6.956 1.00 0.00 C ATOM 505 O ASP A 35 -7.499 -0.795 -7.548 1.00 0.00 O ATOM 506 CB ASP A 35 -9.781 -0.993 -5.418 1.00 0.00 C ATOM 507 CG ASP A 35 -9.800 -1.779 -4.101 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.262 -1.272 -3.085 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.362 -2.891 -4.127 1.00 0.00 O ATOM 0 H ASP A 35 -9.999 1.343 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.750 -0.493 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.704 -0.420 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.762 -1.695 -6.252 1.00 0.00 H new ATOM 514 N ASP A 36 -8.039 1.389 -7.453 1.00 0.00 N ATOM 515 CA ASP A 36 -7.277 1.852 -8.605 1.00 0.00 C ATOM 516 C ASP A 36 -5.770 1.909 -8.322 1.00 0.00 C ATOM 517 O ASP A 36 -4.957 1.902 -9.243 1.00 0.00 O ATOM 518 CB ASP A 36 -7.816 3.208 -9.061 1.00 0.00 C ATOM 519 CG ASP A 36 -8.460 3.160 -10.440 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.703 3.254 -11.429 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.704 3.045 -10.476 1.00 0.00 O ATOM 0 H ASP A 36 -8.613 2.125 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.404 1.130 -9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.548 3.564 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.001 3.932 -9.072 1.00 0.00 H new ATOM 526 N TRP A 37 -5.384 2.014 -7.048 1.00 0.00 N ATOM 527 CA TRP A 37 -3.992 2.153 -6.645 1.00 0.00 C ATOM 528 C TRP A 37 -3.226 0.849 -6.874 1.00 0.00 C ATOM 529 O TRP A 37 -3.797 -0.241 -6.837 1.00 0.00 O ATOM 530 CB TRP A 37 -3.927 2.582 -5.178 1.00 0.00 C ATOM 531 CG TRP A 37 -2.560 2.670 -4.579 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.704 3.713 -4.652 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.872 1.635 -3.826 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.553 3.411 -3.949 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.601 2.136 -3.418 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.204 0.315 -3.456 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.290 1.373 -2.652 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.310 -0.465 -2.700 1.00 0.00 C ATOM 539 CH2 TRP A 37 -0.070 0.063 -2.292 1.00 0.00 C ATOM 0 H TRP A 37 -6.038 2.004 -6.265 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.517 2.920 -7.257 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.406 3.556 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.515 1.879 -4.588 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.890 4.638 -5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.234 4.050 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.154 -0.101 -3.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.239 1.785 -2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.577 -1.476 -2.431 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.605 -0.539 -1.702 1.00 0.00 H new ATOM 550 N VAL A 38 -1.917 0.979 -7.098 1.00 0.00 N ATOM 551 CA VAL A 38 -1.007 -0.089 -7.476 1.00 0.00 C ATOM 552 C VAL A 38 0.295 0.119 -6.695 1.00 0.00 C ATOM 553 O VAL A 38 0.619 1.248 -6.324 1.00 0.00 O ATOM 554 CB VAL A 38 -0.819 -0.038 -9.008 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.355 -0.876 -9.524 1.00 0.00 C ATOM 556 CG2 VAL A 38 -2.093 -0.521 -9.717 1.00 0.00 C ATOM 0 H VAL A 38 -1.445 1.880 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.386 -1.081 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.603 1.006 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.418 -0.786 -10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.282 -0.518 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.202 -1.921 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.947 -0.480 -10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.309 -1.547 -9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.929 0.121 -9.440 1.00 0.00 H new ATOM 566 N CYS A 39 1.011 -0.976 -6.427 1.00 0.00 N ATOM 567 CA CYS A 39 2.284 -1.004 -5.715 1.00 0.00 C ATOM 568 C CYS A 39 3.288 -0.046 -6.386 1.00 0.00 C ATOM 569 O CYS A 39 3.397 -0.066 -7.614 1.00 0.00 O ATOM 570 CB CYS A 39 2.771 -2.433 -5.725 1.00 0.00 C ATOM 571 SG CYS A 39 4.076 -2.749 -4.513 1.00 0.00 S ATOM 0 H CYS A 39 0.703 -1.905 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 39 2.172 -0.665 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.931 -3.098 -5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.142 -2.677 -6.721 1.00 0.00 H new ATOM 576 N PRO A 40 4.004 0.802 -5.624 1.00 0.00 N ATOM 577 CA PRO A 40 4.757 1.931 -6.159 1.00 0.00 C ATOM 578 C PRO A 40 5.831 1.529 -7.174 1.00 0.00 C ATOM 579 O PRO A 40 5.893 2.099 -8.262 1.00 0.00 O ATOM 580 CB PRO A 40 5.352 2.649 -4.939 1.00 0.00 C ATOM 581 CG PRO A 40 5.330 1.600 -3.835 1.00 0.00 C ATOM 582 CD PRO A 40 4.074 0.806 -4.171 1.00 0.00 C ATOM 0 HA PRO A 40 4.099 2.585 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.366 2.996 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.763 3.525 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.223 0.975 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.273 2.052 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.132 -0.208 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.188 1.267 -3.735 1.00 0.00 H new ATOM 590 N LEU A 41 6.708 0.587 -6.814 1.00 0.00 N ATOM 591 CA LEU A 41 7.867 0.208 -7.620 1.00 0.00 C ATOM 592 C LEU A 41 7.887 -1.309 -7.805 1.00 0.00 C ATOM 593 O LEU A 41 8.833 -1.980 -7.401 1.00 0.00 O ATOM 594 CB LEU A 41 9.157 0.725 -6.956 1.00 0.00 C ATOM 595 CG LEU A 41 9.267 2.261 -6.891 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.510 2.655 -6.082 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.376 2.891 -8.286 1.00 0.00 C ATOM 0 H LEU A 41 6.630 0.061 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 41 7.801 0.664 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.216 0.325 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.015 0.334 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 41 8.359 2.630 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.586 3.741 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.428 2.255 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.400 2.249 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.451 3.974 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.264 2.508 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.491 2.639 -8.869 1.00 0.00 H new ATOM 609 N CYS A 42 6.824 -1.841 -8.413 1.00 0.00 N ATOM 610 CA CYS A 42 6.583 -3.276 -8.521 1.00 0.00 C ATOM 611 C CYS A 42 5.542 -3.502 -9.618 1.00 0.00 C ATOM 612 O CYS A 42 5.873 -4.006 -10.690 1.00 0.00 O ATOM 613 CB CYS A 42 6.192 -3.778 -7.150 1.00 0.00 C ATOM 614 SG CYS A 42 5.195 -5.292 -7.104 1.00 0.00 S ATOM 0 H CYS A 42 6.097 -1.275 -8.850 1.00 0.00 H new ATOM 0 HA CYS A 42 7.462 -3.847 -8.820 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.103 -3.950 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.639 -2.988 -6.641 1.00 0.00 H new ATOM 619 N GLY A 43 4.305 -3.051 -9.386 1.00 0.00 N ATOM 620 CA GLY A 43 3.233 -3.099 -10.367 1.00 0.00 C ATOM 621 C GLY A 43 2.264 -4.254 -10.118 1.00 0.00 C ATOM 622 O GLY A 43 1.944 -4.998 -11.043 1.00 0.00 O ATOM 0 H GLY A 43 4.023 -2.638 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.684 -2.158 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.662 -3.197 -11.364 1.00 0.00 H new ATOM 626 N VAL A 44 1.747 -4.370 -8.890 1.00 0.00 N ATOM 627 CA VAL A 44 0.630 -5.249 -8.555 1.00 0.00 C ATOM 628 C VAL A 44 -0.462 -4.425 -7.877 1.00 0.00 C ATOM 629 O VAL A 44 -0.177 -3.389 -7.274 1.00 0.00 O ATOM 630 CB VAL A 44 1.077 -6.425 -7.671 1.00 0.00 C ATOM 631 CG1 VAL A 44 2.109 -7.295 -8.398 1.00 0.00 C ATOM 632 CG2 VAL A 44 1.631 -5.966 -6.317 1.00 0.00 C ATOM 0 H VAL A 44 2.102 -3.845 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 44 0.235 -5.686 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 44 0.186 -7.020 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.409 -8.120 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.670 -7.692 -9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.983 -6.692 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.932 -6.836 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.495 -5.320 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.861 -5.415 -5.777 1.00 0.00 H new ATOM 642 N GLY A 45 -1.711 -4.877 -8.002 1.00 0.00 N ATOM 643 CA GLY A 45 -2.843 -4.262 -7.335 1.00 0.00 C ATOM 644 C GLY A 45 -2.894 -4.671 -5.864 1.00 0.00 C ATOM 645 O GLY A 45 -2.014 -5.366 -5.355 1.00 0.00 O ATOM 0 H GLY A 45 -1.959 -5.685 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.771 -3.177 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.767 -4.557 -7.831 1.00 0.00 H new ATOM 649 N LYS A 46 -3.946 -4.237 -5.176 1.00 0.00 N ATOM 650 CA LYS A 46 -4.143 -4.529 -3.770 1.00 0.00 C ATOM 651 C LYS A 46 -4.675 -5.959 -3.605 1.00 0.00 C ATOM 652 O LYS A 46 -5.882 -6.142 -3.467 1.00 0.00 O ATOM 653 CB LYS A 46 -5.151 -3.526 -3.200 1.00 0.00 C ATOM 654 CG LYS A 46 -4.813 -2.051 -3.393 1.00 0.00 C ATOM 655 CD LYS A 46 -6.024 -1.209 -2.969 1.00 0.00 C ATOM 656 CE LYS A 46 -6.273 -1.190 -1.460 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.633 -0.679 -1.147 1.00 0.00 N ATOM 0 H LYS A 46 -4.688 -3.669 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.197 -4.447 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.122 -3.718 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.258 -3.717 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.940 -1.783 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.562 -1.854 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.881 -0.186 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.913 -1.593 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.158 -2.196 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.525 -0.564 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.781 -0.693 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.727 0.296 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.345 -1.282 -1.607 1.00 0.00 H new ATOM 671 N ASP A 47 -3.798 -6.966 -3.579 1.00 0.00 N ATOM 672 CA ASP A 47 -4.162 -8.347 -3.314 1.00 0.00 C ATOM 673 C ASP A 47 -3.101 -8.964 -2.412 1.00 0.00 C ATOM 674 O ASP A 47 -1.940 -8.563 -2.433 1.00 0.00 O ATOM 675 CB ASP A 47 -4.296 -9.146 -4.621 1.00 0.00 C ATOM 676 CG ASP A 47 -5.746 -9.267 -5.062 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.500 -9.915 -4.303 1.00 0.00 O ATOM 678 OD2 ASP A 47 -6.062 -8.747 -6.152 1.00 0.00 O ATOM 0 H ASP A 47 -2.800 -6.835 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.132 -8.376 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.717 -8.659 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.873 -10.141 -4.484 1.00 0.00 H new ATOM 683 N GLN A 48 -3.544 -9.931 -1.614 1.00 0.00 N ATOM 684 CA GLN A 48 -2.747 -10.768 -0.722 1.00 0.00 C ATOM 685 C GLN A 48 -1.779 -9.940 0.140 1.00 0.00 C ATOM 686 O GLN A 48 -0.576 -10.179 0.135 1.00 0.00 O ATOM 687 CB GLN A 48 -2.028 -11.847 -1.555 1.00 0.00 C ATOM 688 CG GLN A 48 -1.547 -13.037 -0.712 1.00 0.00 C ATOM 689 CD GLN A 48 -2.695 -13.974 -0.355 1.00 0.00 C ATOM 690 OE1 GLN A 48 -3.292 -13.868 0.710 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.026 -14.900 -1.252 1.00 0.00 N ATOM 0 H GLN A 48 -4.535 -10.167 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.409 -11.263 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.703 -12.208 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.173 -11.398 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.785 -13.588 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.079 -12.671 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.512 -14.966 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.794 -15.544 -1.061 1.00 0.00 H new ATOM 700 N PHE A 49 -2.311 -8.969 0.888 1.00 0.00 N ATOM 701 CA PHE A 49 -1.529 -8.087 1.746 1.00 0.00 C ATOM 702 C PHE A 49 -1.673 -8.515 3.212 1.00 0.00 C ATOM 703 O PHE A 49 -2.764 -8.453 3.777 1.00 0.00 O ATOM 704 CB PHE A 49 -1.928 -6.621 1.490 1.00 0.00 C ATOM 705 CG PHE A 49 -3.415 -6.352 1.309 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.007 -6.511 0.043 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.214 -5.967 2.401 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.400 -6.390 -0.104 1.00 0.00 C ATOM 709 CE2 PHE A 49 -5.599 -5.791 2.242 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.196 -6.023 0.993 1.00 0.00 C ATOM 0 H PHE A 49 -3.312 -8.774 0.912 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.469 -8.168 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.570 -6.018 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.406 -6.274 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.391 -6.726 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.760 -5.806 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.859 -6.580 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.204 -5.477 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.265 -5.920 0.876 1.00 0.00 H new ATOM 720 N GLU A 50 -0.568 -8.944 3.829 1.00 0.00 N ATOM 721 CA GLU A 50 -0.487 -9.365 5.226 1.00 0.00 C ATOM 722 C GLU A 50 -0.244 -8.140 6.107 1.00 0.00 C ATOM 723 O GLU A 50 0.434 -7.221 5.662 1.00 0.00 O ATOM 724 CB GLU A 50 0.687 -10.339 5.363 1.00 0.00 C ATOM 725 CG GLU A 50 0.371 -11.687 4.700 1.00 0.00 C ATOM 726 CD GLU A 50 1.641 -12.486 4.440 1.00 0.00 C ATOM 727 OE1 GLU A 50 2.170 -13.044 5.424 1.00 0.00 O ATOM 728 OE2 GLU A 50 2.061 -12.513 3.264 1.00 0.00 O ATOM 0 H GLU A 50 0.329 -9.009 3.348 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.414 -9.848 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.577 -9.906 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.913 -10.494 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.298 -12.262 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.154 -11.518 3.760 1.00 0.00 H new ATOM 735 N GLU A 51 -0.777 -8.105 7.334 1.00 0.00 N ATOM 736 CA GLU A 51 -0.613 -6.993 8.251 1.00 0.00 C ATOM 737 C GLU A 51 0.745 -7.111 8.956 1.00 0.00 C ATOM 738 O GLU A 51 1.189 -8.210 9.282 1.00 0.00 O ATOM 739 CB GLU A 51 -1.810 -7.009 9.217 1.00 0.00 C ATOM 740 CG GLU A 51 -1.666 -5.999 10.353 1.00 0.00 C ATOM 741 CD GLU A 51 -2.948 -5.858 11.169 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.356 -6.876 11.767 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.496 -4.735 11.198 1.00 0.00 O ATOM 0 H GLU A 51 -1.341 -8.865 7.715 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.606 -6.031 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.723 -6.796 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.919 -8.009 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.852 -6.307 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.392 -5.028 9.940 1.00 0.00 H new ATOM 750 N VAL A 52 1.409 -5.972 9.171 1.00 0.00 N ATOM 751 CA VAL A 52 2.690 -5.820 9.816 1.00 0.00 C ATOM 752 C VAL A 52 2.451 -5.161 11.183 1.00 0.00 C ATOM 753 O VAL A 52 2.221 -3.954 11.287 1.00 0.00 O ATOM 754 CB VAL A 52 3.577 -4.983 8.880 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.821 -4.484 9.607 1.00 0.00 C ATOM 756 CG2 VAL A 52 4.005 -5.777 7.648 1.00 0.00 C ATOM 0 H VAL A 52 1.027 -5.075 8.872 1.00 0.00 H new ATOM 0 HA VAL A 52 3.199 -6.767 9.997 1.00 0.00 H new ATOM 0 HB VAL A 52 2.977 -4.132 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.431 -3.895 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.524 -3.864 10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.399 -5.336 9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.630 -5.151 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.569 -6.656 7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.121 -6.091 7.093 1.00 0.00 H new ATOM 766 N GLU A 53 2.496 -5.980 12.231 1.00 0.00 N ATOM 767 CA GLU A 53 2.286 -5.610 13.616 1.00 0.00 C ATOM 768 C GLU A 53 3.504 -4.894 14.231 1.00 0.00 C ATOM 769 O GLU A 53 4.262 -5.441 15.026 1.00 0.00 O ATOM 770 CB GLU A 53 1.851 -6.868 14.377 1.00 0.00 C ATOM 771 CG GLU A 53 2.886 -8.003 14.382 1.00 0.00 C ATOM 772 CD GLU A 53 2.311 -9.294 14.954 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.265 -9.728 14.424 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.923 -9.824 15.906 1.00 0.00 O ATOM 0 H GLU A 53 2.692 -6.975 12.123 1.00 0.00 H new ATOM 0 HA GLU A 53 1.493 -4.866 13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.627 -6.594 15.408 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.925 -7.240 13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.235 -8.180 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.754 -7.701 14.969 1.00 0.00 H new ATOM 781 N GLU A 54 3.659 -3.628 13.873 1.00 0.00 N ATOM 782 CA GLU A 54 4.352 -2.677 14.745 1.00 0.00 C ATOM 783 C GLU A 54 3.622 -2.637 16.097 1.00 0.00 C ATOM 784 O GLU A 54 2.368 -2.686 16.062 1.00 0.00 O ATOM 785 CB GLU A 54 4.358 -1.263 14.157 1.00 0.00 C ATOM 786 CG GLU A 54 4.951 -1.144 12.749 1.00 0.00 C ATOM 787 CD GLU A 54 6.474 -1.085 12.656 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.133 -0.873 13.694 1.00 0.00 O ATOM 789 OE2 GLU A 54 6.959 -1.171 11.502 1.00 0.00 O ATOM 790 OXT GLU A 54 4.312 -2.519 17.132 1.00 0.00 O ATOM 0 H GLU A 54 3.320 -3.233 12.996 1.00 0.00 H new ATOM 0 HA GLU A 54 5.386 -3.005 14.854 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.333 -0.892 14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.919 -0.611 14.826 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.606 -1.994 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.545 -0.246 12.282 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 4.928 -4.792 -4.922 1.00 0.00 FE