USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 363 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 6 CYS SG : rot 10:sc= -0.495 USER MOD Set 1.2: A 9 CYS SG : rot 163:sc= 0.362 USER MOD Set 1.3: A 39 CYS SG : rot -105:sc= 1.49 USER MOD Set 1.4: A 42 CYS SG : rot 150:sc= -0.614 USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.01) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc= 1.23 (180deg=0.938) USER MOD Single : A 4 TYR OH : rot -84:sc= 1.22 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.0232 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -8:sc= 1.06 USER MOD Single : A 14 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.4!) USER MOD Single : A 22 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.48) USER MOD Single : A 25 ASN : amide:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : A 28 THR OG1 : rot 96:sc= 1.35 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 1.2 (180deg=1.05) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 2.6 (180deg=2.38) USER MOD Single : A 48 GLN : amide:sc= 0.414 K(o=0.41,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.683 0.545 11.227 1.00 0.00 N ATOM 21 CA LYS A 2 -0.792 -0.597 11.082 1.00 0.00 C ATOM 22 C LYS A 2 -0.223 -0.672 9.675 1.00 0.00 C ATOM 23 O LYS A 2 -0.919 -0.412 8.700 1.00 0.00 O ATOM 24 CB LYS A 2 -1.535 -1.896 11.354 1.00 0.00 C ATOM 25 CG LYS A 2 -1.941 -2.040 12.821 1.00 0.00 C ATOM 26 CD LYS A 2 -1.367 -3.369 13.323 1.00 0.00 C ATOM 27 CE LYS A 2 -2.056 -3.861 14.589 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.460 -3.235 15.786 1.00 0.00 N ATOM 0 HA LYS A 2 0.016 -0.465 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.426 -1.940 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.904 -2.738 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.556 -1.208 13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.026 -2.027 12.923 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.468 -4.123 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.301 -3.251 13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.120 -3.629 14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.969 -4.945 14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.836 -3.693 16.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.426 -3.348 15.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.698 -2.223 15.803 1.00 0.00 H new ATOM 42 N LYS A 3 1.039 -1.075 9.579 1.00 0.00 N ATOM 43 CA LYS A 3 1.707 -1.317 8.320 1.00 0.00 C ATOM 44 C LYS A 3 1.160 -2.579 7.669 1.00 0.00 C ATOM 45 O LYS A 3 0.389 -3.310 8.286 1.00 0.00 O ATOM 46 CB LYS A 3 3.206 -1.379 8.590 1.00 0.00 C ATOM 47 CG LYS A 3 3.640 -0.013 9.133 1.00 0.00 C ATOM 48 CD LYS A 3 5.149 0.031 9.390 1.00 0.00 C ATOM 49 CE LYS A 3 5.493 1.266 10.235 1.00 0.00 C ATOM 50 NZ LYS A 3 6.924 1.310 10.587 1.00 0.00 N ATOM 0 H LYS A 3 1.631 -1.244 10.392 1.00 0.00 H new ATOM 0 HA LYS A 3 1.522 -0.512 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.433 -2.166 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.750 -1.617 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.367 0.767 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.105 0.199 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.467 -0.875 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.688 0.064 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.227 2.168 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.895 1.260 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.211 2.296 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.086 0.755 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.485 0.910 9.809 1.00 0.00 H new ATOM 64 N TYR A 4 1.557 -2.826 6.423 1.00 0.00 N ATOM 65 CA TYR A 4 1.113 -3.984 5.650 1.00 0.00 C ATOM 66 C TYR A 4 2.224 -4.497 4.732 1.00 0.00 C ATOM 67 O TYR A 4 3.030 -3.713 4.229 1.00 0.00 O ATOM 68 CB TYR A 4 -0.122 -3.645 4.803 1.00 0.00 C ATOM 69 CG TYR A 4 -1.445 -3.652 5.546 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.793 -2.637 6.457 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.319 -4.730 5.352 1.00 0.00 C ATOM 72 CE1 TYR A 4 -2.935 -2.773 7.264 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.447 -4.882 6.175 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.741 -3.918 7.151 1.00 0.00 C ATOM 75 OH TYR A 4 -4.830 -4.088 7.947 1.00 0.00 O ATOM 0 H TYR A 4 2.203 -2.221 5.916 1.00 0.00 H new ATOM 0 HA TYR A 4 0.853 -4.764 6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.021 -2.659 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.183 -4.357 3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.180 -1.751 6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.125 -5.446 4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.193 -1.998 7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.089 -5.742 6.056 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.552 -4.478 8.802 1.00 0.00 H new ATOM 85 N THR A 5 2.241 -5.811 4.483 1.00 0.00 N ATOM 86 CA THR A 5 3.181 -6.438 3.567 1.00 0.00 C ATOM 87 C THR A 5 2.708 -6.252 2.121 1.00 0.00 C ATOM 88 O THR A 5 1.607 -6.686 1.767 1.00 0.00 O ATOM 89 CB THR A 5 3.331 -7.925 3.918 1.00 0.00 C ATOM 90 OG1 THR A 5 3.593 -8.055 5.301 1.00 0.00 O ATOM 91 CG2 THR A 5 4.485 -8.574 3.150 1.00 0.00 C ATOM 0 H THR A 5 1.595 -6.469 4.919 1.00 0.00 H new ATOM 0 HA THR A 5 4.158 -5.964 3.664 1.00 0.00 H new ATOM 0 HB THR A 5 2.402 -8.425 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.688 -9.004 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.559 -9.626 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.301 -8.491 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.418 -8.067 3.398 1.00 0.00 H new ATOM 99 N CYS A 6 3.561 -5.632 1.298 1.00 0.00 N ATOM 100 CA CYS A 6 3.424 -5.558 -0.152 1.00 0.00 C ATOM 101 C CYS A 6 3.401 -6.999 -0.676 1.00 0.00 C ATOM 102 O CYS A 6 4.432 -7.662 -0.805 1.00 0.00 O ATOM 103 CB CYS A 6 4.569 -4.733 -0.689 1.00 0.00 C ATOM 104 SG CYS A 6 4.324 -4.059 -2.359 1.00 0.00 S ATOM 0 H CYS A 6 4.394 -5.152 1.640 1.00 0.00 H new ATOM 0 HA CYS A 6 2.505 -5.071 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.751 -3.905 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.469 -5.348 -0.692 1.00 0.00 H new ATOM 0 HG CYS A 6 3.090 -4.244 -2.725 1.00 0.00 H new ATOM 109 N THR A 7 2.198 -7.534 -0.856 1.00 0.00 N ATOM 110 CA THR A 7 2.013 -8.936 -1.173 1.00 0.00 C ATOM 111 C THR A 7 2.589 -9.216 -2.559 1.00 0.00 C ATOM 112 O THR A 7 2.512 -8.370 -3.443 1.00 0.00 O ATOM 113 CB THR A 7 0.528 -9.276 -1.014 1.00 0.00 C ATOM 114 OG1 THR A 7 0.216 -9.092 0.357 1.00 0.00 O ATOM 115 CG2 THR A 7 0.208 -10.722 -1.397 1.00 0.00 C ATOM 0 H THR A 7 1.329 -7.005 -0.785 1.00 0.00 H new ATOM 0 HA THR A 7 2.555 -9.591 -0.491 1.00 0.00 H new ATOM 0 HB THR A 7 -0.055 -8.635 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.679 -9.447 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.858 -10.906 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.479 -10.891 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.775 -11.401 -0.760 1.00 0.00 H new ATOM 123 N VAL A 8 3.228 -10.382 -2.710 1.00 0.00 N ATOM 124 CA VAL A 8 4.003 -10.788 -3.881 1.00 0.00 C ATOM 125 C VAL A 8 5.105 -9.776 -4.265 1.00 0.00 C ATOM 126 O VAL A 8 5.647 -9.846 -5.366 1.00 0.00 O ATOM 127 CB VAL A 8 3.074 -11.293 -5.017 1.00 0.00 C ATOM 128 CG1 VAL A 8 2.141 -10.241 -5.631 1.00 0.00 C ATOM 129 CG2 VAL A 8 3.831 -11.997 -6.153 1.00 0.00 C ATOM 0 H VAL A 8 3.216 -11.099 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 8 4.601 -11.662 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 8 2.447 -12.010 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.538 -10.702 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.486 -9.839 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.735 -9.433 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.123 -12.325 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.546 -11.305 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.362 -12.862 -5.755 1.00 0.00 H new ATOM 139 N CYS A 9 5.517 -8.918 -3.322 1.00 0.00 N ATOM 140 CA CYS A 9 6.563 -7.917 -3.485 1.00 0.00 C ATOM 141 C CYS A 9 7.409 -7.901 -2.200 1.00 0.00 C ATOM 142 O CYS A 9 7.370 -8.853 -1.422 1.00 0.00 O ATOM 143 CB CYS A 9 5.891 -6.592 -3.743 1.00 0.00 C ATOM 144 SG CYS A 9 5.162 -6.486 -5.394 1.00 0.00 S ATOM 0 H CYS A 9 5.109 -8.908 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 9 7.225 -8.135 -4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.113 -6.433 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.619 -5.790 -3.620 1.00 0.00 H new ATOM 0 HG CYS A 9 4.305 -5.509 -5.428 1.00 0.00 H new ATOM 149 N GLY A 10 8.190 -6.837 -1.971 1.00 0.00 N ATOM 150 CA GLY A 10 9.009 -6.674 -0.778 1.00 0.00 C ATOM 151 C GLY A 10 9.233 -5.191 -0.491 1.00 0.00 C ATOM 152 O GLY A 10 10.364 -4.714 -0.530 1.00 0.00 O ATOM 0 H GLY A 10 8.267 -6.057 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.521 -7.147 0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.968 -7.174 -0.915 1.00 0.00 H new ATOM 156 N TYR A 11 8.147 -4.459 -0.222 1.00 0.00 N ATOM 157 CA TYR A 11 8.157 -3.008 -0.067 1.00 0.00 C ATOM 158 C TYR A 11 7.038 -2.582 0.894 1.00 0.00 C ATOM 159 O TYR A 11 6.072 -1.949 0.483 1.00 0.00 O ATOM 160 CB TYR A 11 8.031 -2.365 -1.462 1.00 0.00 C ATOM 161 CG TYR A 11 8.635 -0.977 -1.573 1.00 0.00 C ATOM 162 CD1 TYR A 11 7.913 0.159 -1.159 1.00 0.00 C ATOM 163 CD2 TYR A 11 9.927 -0.823 -2.108 1.00 0.00 C ATOM 164 CE1 TYR A 11 8.471 1.440 -1.304 1.00 0.00 C ATOM 165 CE2 TYR A 11 10.489 0.458 -2.243 1.00 0.00 C ATOM 166 CZ TYR A 11 9.754 1.591 -1.854 1.00 0.00 C ATOM 167 OH TYR A 11 10.295 2.834 -1.990 1.00 0.00 O ATOM 0 H TYR A 11 7.221 -4.870 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 11 9.093 -2.665 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.511 -3.016 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.976 -2.310 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.929 0.045 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.489 -1.692 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.912 2.310 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.485 0.572 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 11 11.188 2.760 -2.386 1.00 0.00 H new ATOM 177 N ILE A 12 7.151 -2.970 2.174 1.00 0.00 N ATOM 178 CA ILE A 12 6.135 -2.744 3.209 1.00 0.00 C ATOM 179 C ILE A 12 5.444 -1.384 3.075 1.00 0.00 C ATOM 180 O ILE A 12 6.101 -0.343 3.074 1.00 0.00 O ATOM 181 CB ILE A 12 6.737 -2.963 4.618 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.640 -4.469 4.930 1.00 0.00 C ATOM 183 CG2 ILE A 12 6.043 -2.134 5.722 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.519 -4.919 6.098 1.00 0.00 C ATOM 0 H ILE A 12 7.973 -3.462 2.525 1.00 0.00 H new ATOM 0 HA ILE A 12 5.348 -3.484 3.062 1.00 0.00 H new ATOM 0 HB ILE A 12 7.771 -2.619 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.602 -4.718 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.919 -5.033 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.517 -2.338 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.133 -1.073 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.989 -2.406 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.395 -5.990 6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.563 -4.704 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.226 -4.384 7.001 1.00 0.00 H new ATOM 196 N TYR A 13 4.113 -1.407 2.998 1.00 0.00 N ATOM 197 CA TYR A 13 3.307 -0.204 2.963 1.00 0.00 C ATOM 198 C TYR A 13 3.210 0.343 4.381 1.00 0.00 C ATOM 199 O TYR A 13 2.951 -0.416 5.321 1.00 0.00 O ATOM 200 CB TYR A 13 1.918 -0.530 2.408 1.00 0.00 C ATOM 201 CG TYR A 13 0.948 0.638 2.461 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.266 0.936 3.654 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.738 1.443 1.329 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.591 2.043 3.712 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.061 2.671 1.464 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.603 2.982 2.668 1.00 0.00 C ATOM 207 OH TYR A 13 -1.418 4.078 2.746 1.00 0.00 O ATOM 0 H TYR A 13 3.569 -2.269 2.958 1.00 0.00 H new ATOM 0 HA TYR A 13 3.761 0.545 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.018 -0.861 1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.499 -1.364 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.403 0.312 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.093 1.122 0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.244 2.174 4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.051 3.375 0.645 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.011 3.990 3.522 1.00 0.00 H new ATOM 217 N ASN A 14 3.378 1.661 4.521 1.00 0.00 N ATOM 218 CA ASN A 14 3.239 2.366 5.783 1.00 0.00 C ATOM 219 C ASN A 14 2.140 3.415 5.670 1.00 0.00 C ATOM 220 O ASN A 14 2.317 4.404 4.965 1.00 0.00 O ATOM 221 CB ASN A 14 4.574 3.013 6.161 1.00 0.00 C ATOM 222 CG ASN A 14 4.521 3.621 7.554 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.518 3.535 8.255 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.625 4.187 8.005 1.00 0.00 N ATOM 0 H ASN A 14 3.619 2.273 3.741 1.00 0.00 H new ATOM 0 HA ASN A 14 2.962 1.661 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.367 2.266 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.824 3.786 5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.655 4.563 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.448 4.248 7.406 1.00 0.00 H new ATOM 231 N PRO A 15 1.004 3.246 6.358 1.00 0.00 N ATOM 232 CA PRO A 15 -0.109 4.163 6.215 1.00 0.00 C ATOM 233 C PRO A 15 0.244 5.540 6.711 1.00 0.00 C ATOM 234 O PRO A 15 -0.166 6.522 6.108 1.00 0.00 O ATOM 235 CB PRO A 15 -1.263 3.586 7.029 1.00 0.00 C ATOM 236 CG PRO A 15 -0.576 2.657 8.020 1.00 0.00 C ATOM 237 CD PRO A 15 0.741 2.248 7.379 1.00 0.00 C ATOM 0 HA PRO A 15 -0.378 4.268 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.825 4.369 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.968 3.046 6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.405 3.161 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.195 1.784 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.544 2.220 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.672 1.251 6.944 1.00 0.00 H new ATOM 245 N GLU A 16 1.007 5.614 7.794 1.00 0.00 N ATOM 246 CA GLU A 16 1.361 6.870 8.416 1.00 0.00 C ATOM 247 C GLU A 16 2.152 7.756 7.454 1.00 0.00 C ATOM 248 O GLU A 16 2.036 8.980 7.493 1.00 0.00 O ATOM 249 CB GLU A 16 2.111 6.542 9.701 1.00 0.00 C ATOM 250 CG GLU A 16 1.233 5.595 10.544 1.00 0.00 C ATOM 251 CD GLU A 16 1.393 5.741 12.046 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.428 6.279 12.487 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.438 5.292 12.721 1.00 0.00 O ATOM 0 H GLU A 16 1.397 4.796 8.263 1.00 0.00 H new ATOM 0 HA GLU A 16 0.475 7.454 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.067 6.071 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.329 7.454 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.188 5.767 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.464 4.566 10.267 1.00 0.00 H new ATOM 260 N ASP A 17 2.896 7.112 6.556 1.00 0.00 N ATOM 261 CA ASP A 17 3.613 7.769 5.472 1.00 0.00 C ATOM 262 C ASP A 17 2.691 7.918 4.259 1.00 0.00 C ATOM 263 O ASP A 17 2.793 8.884 3.502 1.00 0.00 O ATOM 264 CB ASP A 17 4.840 6.933 5.087 1.00 0.00 C ATOM 265 CG ASP A 17 5.929 6.846 6.149 1.00 0.00 C ATOM 266 OD1 ASP A 17 6.079 7.817 6.921 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.601 5.788 6.180 1.00 0.00 O ATOM 0 H ASP A 17 3.018 6.099 6.565 1.00 0.00 H new ATOM 0 HA ASP A 17 3.937 8.757 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.509 5.923 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.274 7.352 4.179 1.00 0.00 H new ATOM 272 N GLY A 18 1.788 6.955 4.063 1.00 0.00 N ATOM 273 CA GLY A 18 1.024 6.803 2.847 1.00 0.00 C ATOM 274 C GLY A 18 1.950 6.499 1.670 1.00 0.00 C ATOM 275 O GLY A 18 3.079 6.049 1.854 1.00 0.00 O ATOM 0 H GLY A 18 1.571 6.250 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.298 5.998 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.460 7.714 2.648 1.00 0.00 H new ATOM 279 N ASP A 19 1.461 6.779 0.464 1.00 0.00 N ATOM 280 CA ASP A 19 2.207 6.722 -0.785 1.00 0.00 C ATOM 281 C ASP A 19 1.734 7.889 -1.667 1.00 0.00 C ATOM 282 O ASP A 19 1.155 7.680 -2.740 1.00 0.00 O ATOM 283 CB ASP A 19 2.004 5.335 -1.429 1.00 0.00 C ATOM 284 CG ASP A 19 3.145 4.385 -1.109 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.287 4.752 -1.459 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.844 3.287 -0.592 1.00 0.00 O ATOM 0 H ASP A 19 0.491 7.064 0.328 1.00 0.00 H new ATOM 0 HA ASP A 19 3.281 6.836 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.066 4.906 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.918 5.447 -2.510 1.00 0.00 H new ATOM 291 N PRO A 20 1.931 9.143 -1.222 1.00 0.00 N ATOM 292 CA PRO A 20 1.343 10.305 -1.870 1.00 0.00 C ATOM 293 C PRO A 20 1.845 10.450 -3.301 1.00 0.00 C ATOM 294 O PRO A 20 1.077 10.840 -4.178 1.00 0.00 O ATOM 295 CB PRO A 20 1.695 11.513 -1.000 1.00 0.00 C ATOM 296 CG PRO A 20 2.899 11.044 -0.182 1.00 0.00 C ATOM 297 CD PRO A 20 2.668 9.541 -0.032 1.00 0.00 C ATOM 0 HA PRO A 20 0.261 10.208 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.941 12.384 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.862 11.797 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.838 11.256 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.944 11.541 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.613 9.004 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.103 9.319 0.873 1.00 0.00 H new ATOM 305 N ASP A 21 3.101 10.077 -3.552 1.00 0.00 N ATOM 306 CA ASP A 21 3.736 10.129 -4.855 1.00 0.00 C ATOM 307 C ASP A 21 2.939 9.307 -5.868 1.00 0.00 C ATOM 308 O ASP A 21 2.934 9.602 -7.061 1.00 0.00 O ATOM 309 CB ASP A 21 5.160 9.579 -4.702 1.00 0.00 C ATOM 310 CG ASP A 21 5.949 10.325 -3.636 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.569 10.153 -2.455 1.00 0.00 O ATOM 312 OD2 ASP A 21 6.887 11.058 -4.017 1.00 0.00 O ATOM 0 H ASP A 21 3.719 9.719 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 21 3.770 11.154 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.114 8.521 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.681 9.652 -5.656 1.00 0.00 H new ATOM 317 N ASN A 22 2.272 8.262 -5.370 1.00 0.00 N ATOM 318 CA ASN A 22 1.504 7.303 -6.145 1.00 0.00 C ATOM 319 C ASN A 22 0.015 7.631 -6.099 1.00 0.00 C ATOM 320 O ASN A 22 -0.732 7.237 -6.992 1.00 0.00 O ATOM 321 CB ASN A 22 1.769 5.901 -5.597 1.00 0.00 C ATOM 322 CG ASN A 22 3.259 5.598 -5.522 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.839 5.103 -6.481 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.883 5.898 -4.386 1.00 0.00 N ATOM 0 H ASN A 22 2.257 8.059 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 22 1.814 7.351 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.329 5.809 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.279 5.163 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.882 5.717 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.362 6.309 -3.611 1.00 0.00 H new ATOM 331 N GLY A 23 -0.409 8.351 -5.060 1.00 0.00 N ATOM 332 CA GLY A 23 -1.735 8.943 -4.951 1.00 0.00 C ATOM 333 C GLY A 23 -2.415 8.663 -3.609 1.00 0.00 C ATOM 334 O GLY A 23 -3.591 8.982 -3.442 1.00 0.00 O ATOM 0 H GLY A 23 0.180 8.542 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.657 10.021 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.363 8.561 -5.755 1.00 0.00 H new ATOM 338 N VAL A 24 -1.703 8.066 -2.651 1.00 0.00 N ATOM 339 CA VAL A 24 -2.256 7.645 -1.371 1.00 0.00 C ATOM 340 C VAL A 24 -1.742 8.585 -0.286 1.00 0.00 C ATOM 341 O VAL A 24 -0.563 8.582 0.043 1.00 0.00 O ATOM 342 CB VAL A 24 -1.847 6.189 -1.133 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.147 5.712 0.284 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.579 5.272 -2.118 1.00 0.00 C ATOM 0 H VAL A 24 -0.709 7.860 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.345 7.695 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.768 6.144 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.835 4.673 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.604 6.330 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.217 5.791 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.282 4.238 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.655 5.370 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.321 5.555 -3.139 1.00 0.00 H new ATOM 354 N ASN A 25 -2.621 9.413 0.268 1.00 0.00 N ATOM 355 CA ASN A 25 -2.239 10.390 1.280 1.00 0.00 C ATOM 356 C ASN A 25 -1.737 9.685 2.546 1.00 0.00 C ATOM 357 O ASN A 25 -2.128 8.546 2.801 1.00 0.00 O ATOM 358 CB ASN A 25 -3.444 11.285 1.598 1.00 0.00 C ATOM 359 CG ASN A 25 -3.588 12.422 0.591 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.402 13.585 0.931 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.906 12.107 -0.662 1.00 0.00 N ATOM 0 H ASN A 25 -3.613 9.426 0.030 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.426 11.007 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.353 10.683 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.334 11.699 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.000 12.841 -1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.056 11.132 -0.920 1.00 0.00 H new ATOM 368 N PRO A 26 -0.898 10.336 3.364 1.00 0.00 N ATOM 369 CA PRO A 26 -0.557 9.807 4.669 1.00 0.00 C ATOM 370 C PRO A 26 -1.809 9.644 5.529 1.00 0.00 C ATOM 371 O PRO A 26 -2.793 10.367 5.378 1.00 0.00 O ATOM 372 CB PRO A 26 0.455 10.768 5.289 1.00 0.00 C ATOM 373 CG PRO A 26 0.298 12.060 4.491 1.00 0.00 C ATOM 374 CD PRO A 26 -0.265 11.624 3.137 1.00 0.00 C ATOM 0 HA PRO A 26 -0.118 8.812 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.252 10.929 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.470 10.377 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.375 12.755 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.254 12.571 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.984 12.352 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.527 11.544 2.392 1.00 0.00 H new ATOM 382 N GLY A 27 -1.754 8.658 6.416 1.00 0.00 N ATOM 383 CA GLY A 27 -2.841 8.239 7.274 1.00 0.00 C ATOM 384 C GLY A 27 -3.927 7.475 6.525 1.00 0.00 C ATOM 385 O GLY A 27 -5.054 7.433 7.015 1.00 0.00 O ATOM 0 H GLY A 27 -0.908 8.107 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.446 7.610 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.282 9.116 7.748 1.00 0.00 H new ATOM 389 N THR A 28 -3.625 6.855 5.375 1.00 0.00 N ATOM 390 CA THR A 28 -4.608 6.067 4.667 1.00 0.00 C ATOM 391 C THR A 28 -4.385 4.612 5.035 1.00 0.00 C ATOM 392 O THR A 28 -3.327 4.054 4.737 1.00 0.00 O ATOM 393 CB THR A 28 -4.441 6.287 3.164 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.663 7.639 2.831 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.456 5.457 2.399 1.00 0.00 C ATOM 0 H THR A 28 -2.709 6.892 4.928 1.00 0.00 H new ATOM 0 HA THR A 28 -5.622 6.359 4.939 1.00 0.00 H new ATOM 0 HB THR A 28 -3.425 5.996 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.805 8.110 2.784 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.328 5.621 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.307 4.401 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.463 5.752 2.694 1.00 0.00 H new ATOM 403 N ASP A 29 -5.389 4.003 5.663 1.00 0.00 N ATOM 404 CA ASP A 29 -5.393 2.588 5.967 1.00 0.00 C ATOM 405 C ASP A 29 -5.318 1.829 4.660 1.00 0.00 C ATOM 406 O ASP A 29 -6.024 2.171 3.713 1.00 0.00 O ATOM 407 CB ASP A 29 -6.689 2.221 6.677 1.00 0.00 C ATOM 408 CG ASP A 29 -6.684 0.820 7.260 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.381 -0.117 6.492 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.088 0.688 8.438 1.00 0.00 O ATOM 0 H ASP A 29 -6.229 4.491 5.975 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.548 2.339 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.871 2.938 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.517 2.310 5.974 1.00 0.00 H new ATOM 415 N PHE A 30 -4.504 0.783 4.624 1.00 0.00 N ATOM 416 CA PHE A 30 -4.465 -0.121 3.486 1.00 0.00 C ATOM 417 C PHE A 30 -5.856 -0.509 2.961 1.00 0.00 C ATOM 418 O PHE A 30 -6.045 -0.680 1.753 1.00 0.00 O ATOM 419 CB PHE A 30 -3.677 -1.370 3.863 1.00 0.00 C ATOM 420 CG PHE A 30 -2.984 -1.989 2.674 1.00 0.00 C ATOM 421 CD1 PHE A 30 -3.714 -2.656 1.677 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.622 -1.723 2.476 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.067 -3.079 0.507 1.00 0.00 C ATOM 424 CE2 PHE A 30 -0.955 -2.239 1.360 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.681 -2.927 0.386 1.00 0.00 C ATOM 0 H PHE A 30 -3.859 0.540 5.375 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.974 0.412 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.936 -1.115 4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.351 -2.101 4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.769 -2.842 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.084 -1.116 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.636 -3.520 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.111 -2.106 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.169 -3.345 -0.468 1.00 0.00 H new ATOM 435 N LYS A 31 -6.854 -0.654 3.837 1.00 0.00 N ATOM 436 CA LYS A 31 -8.171 -1.025 3.343 1.00 0.00 C ATOM 437 C LYS A 31 -8.786 0.137 2.556 1.00 0.00 C ATOM 438 O LYS A 31 -9.427 -0.078 1.531 1.00 0.00 O ATOM 439 CB LYS A 31 -9.047 -1.507 4.493 1.00 0.00 C ATOM 440 CG LYS A 31 -9.420 -0.324 5.375 1.00 0.00 C ATOM 441 CD LYS A 31 -9.867 -0.814 6.744 1.00 0.00 C ATOM 442 CE LYS A 31 -10.271 0.389 7.610 1.00 0.00 C ATOM 443 NZ LYS A 31 -9.648 0.334 8.945 1.00 0.00 N ATOM 0 H LYS A 31 -6.778 -0.526 4.846 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.086 -1.860 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.947 -1.983 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.517 -2.258 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.566 0.345 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.219 0.251 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.708 -1.500 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.061 -1.368 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.978 1.312 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.356 0.414 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.262 0.813 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.519 -0.659 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.723 0.809 8.916 1.00 0.00 H new ATOM 457 N ASP A 32 -8.555 1.364 3.035 1.00 0.00 N ATOM 458 CA ASP A 32 -9.126 2.592 2.506 1.00 0.00 C ATOM 459 C ASP A 32 -8.453 2.947 1.182 1.00 0.00 C ATOM 460 O ASP A 32 -9.008 3.718 0.401 1.00 0.00 O ATOM 461 CB ASP A 32 -8.948 3.753 3.503 1.00 0.00 C ATOM 462 CG ASP A 32 -9.602 3.562 4.868 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.497 2.698 4.986 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.172 4.284 5.793 1.00 0.00 O ATOM 0 H ASP A 32 -7.941 1.527 3.833 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.192 2.433 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.881 3.918 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.351 4.660 3.052 1.00 0.00 H new ATOM 469 N ILE A 33 -7.252 2.413 0.917 1.00 0.00 N ATOM 470 CA ILE A 33 -6.567 2.621 -0.334 1.00 0.00 C ATOM 471 C ILE A 33 -7.511 2.209 -1.462 1.00 0.00 C ATOM 472 O ILE A 33 -8.051 1.102 -1.410 1.00 0.00 O ATOM 473 CB ILE A 33 -5.316 1.756 -0.341 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.357 2.222 0.744 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.578 1.755 -1.660 1.00 0.00 C ATOM 476 CD1 ILE A 33 -2.988 1.552 0.662 1.00 0.00 C ATOM 0 H ILE A 33 -6.741 1.826 1.576 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.280 3.664 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.661 0.738 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.231 3.302 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.796 2.019 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.698 1.116 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.235 1.378 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.268 2.771 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.351 1.927 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.104 0.473 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.530 1.777 -0.301 1.00 0.00 H new ATOM 488 N PRO A 34 -7.679 3.050 -2.486 1.00 0.00 N ATOM 489 CA PRO A 34 -8.525 2.728 -3.614 1.00 0.00 C ATOM 490 C PRO A 34 -7.981 1.478 -4.285 1.00 0.00 C ATOM 491 O PRO A 34 -6.781 1.372 -4.509 1.00 0.00 O ATOM 492 CB PRO A 34 -8.464 3.923 -4.565 1.00 0.00 C ATOM 493 CG PRO A 34 -7.420 4.886 -3.982 1.00 0.00 C ATOM 494 CD PRO A 34 -6.856 4.213 -2.728 1.00 0.00 C ATOM 0 HA PRO A 34 -9.556 2.537 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.183 3.606 -5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.438 4.407 -4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.629 5.083 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.873 5.846 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.814 3.928 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.884 4.893 -1.876 1.00 0.00 H new ATOM 502 N ASP A 35 -8.848 0.537 -4.644 1.00 0.00 N ATOM 503 CA ASP A 35 -8.414 -0.700 -5.262 1.00 0.00 C ATOM 504 C ASP A 35 -7.954 -0.481 -6.715 1.00 0.00 C ATOM 505 O ASP A 35 -7.385 -1.379 -7.329 1.00 0.00 O ATOM 506 CB ASP A 35 -9.506 -1.755 -5.049 1.00 0.00 C ATOM 507 CG ASP A 35 -9.147 -2.722 -3.917 1.00 0.00 C ATOM 508 OD1 ASP A 35 -8.827 -2.236 -2.803 1.00 0.00 O ATOM 509 OD2 ASP A 35 -9.170 -3.941 -4.181 1.00 0.00 O ATOM 0 H ASP A 35 -9.857 0.613 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.514 -1.088 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.450 -1.260 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.656 -2.315 -5.972 1.00 0.00 H new ATOM 514 N ASP A 36 -8.120 0.747 -7.224 1.00 0.00 N ATOM 515 CA ASP A 36 -7.475 1.245 -8.434 1.00 0.00 C ATOM 516 C ASP A 36 -5.958 1.395 -8.259 1.00 0.00 C ATOM 517 O ASP A 36 -5.200 1.374 -9.227 1.00 0.00 O ATOM 518 CB ASP A 36 -8.117 2.568 -8.859 1.00 0.00 C ATOM 519 CG ASP A 36 -8.780 2.509 -10.230 1.00 0.00 C ATOM 520 OD1 ASP A 36 -8.048 2.272 -11.212 1.00 0.00 O ATOM 521 OD2 ASP A 36 -10.011 2.724 -10.268 1.00 0.00 O ATOM 0 H ASP A 36 -8.728 1.439 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.626 0.509 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.861 2.857 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.355 3.347 -8.866 1.00 0.00 H new ATOM 526 N TRP A 37 -5.509 1.601 -7.019 1.00 0.00 N ATOM 527 CA TRP A 37 -4.114 1.870 -6.719 1.00 0.00 C ATOM 528 C TRP A 37 -3.264 0.623 -6.949 1.00 0.00 C ATOM 529 O TRP A 37 -3.711 -0.509 -6.755 1.00 0.00 O ATOM 530 CB TRP A 37 -3.973 2.357 -5.276 1.00 0.00 C ATOM 531 CG TRP A 37 -2.582 2.572 -4.768 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.819 3.679 -4.905 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.776 1.623 -4.018 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.638 3.507 -4.207 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.561 2.255 -3.630 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.960 0.280 -3.639 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.405 1.601 -2.852 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -0.995 -0.392 -2.866 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.175 0.272 -2.457 1.00 0.00 C ATOM 0 H TRP A 37 -6.111 1.584 -6.196 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.757 2.652 -7.389 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.518 3.296 -5.180 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.464 1.635 -4.624 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.089 4.559 -5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.088 4.219 -4.128 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.854 -0.242 -3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.312 2.111 -2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.154 -1.423 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.898 -0.240 -1.839 1.00 0.00 H new ATOM 550 N VAL A 38 -2.014 0.868 -7.333 1.00 0.00 N ATOM 551 CA VAL A 38 -1.005 -0.128 -7.626 1.00 0.00 C ATOM 552 C VAL A 38 0.222 0.106 -6.740 1.00 0.00 C ATOM 553 O VAL A 38 0.419 1.217 -6.251 1.00 0.00 O ATOM 554 CB VAL A 38 -0.654 -0.046 -9.122 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.766 -0.663 -9.979 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.395 1.392 -9.598 1.00 0.00 C ATOM 0 H VAL A 38 -1.666 1.819 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.377 -1.130 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 38 0.270 -0.611 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.495 -0.593 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.897 -1.710 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.698 -0.125 -9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.152 1.385 -10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.287 1.996 -9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.439 1.816 -9.038 1.00 0.00 H new ATOM 566 N CYS A 39 1.026 -0.944 -6.540 1.00 0.00 N ATOM 567 CA CYS A 39 2.273 -0.946 -5.785 1.00 0.00 C ATOM 568 C CYS A 39 3.116 0.314 -6.009 1.00 0.00 C ATOM 569 O CYS A 39 3.211 0.794 -7.139 1.00 0.00 O ATOM 570 CB CYS A 39 3.103 -2.123 -6.213 1.00 0.00 C ATOM 571 SG CYS A 39 2.701 -3.618 -5.296 1.00 0.00 S ATOM 0 H CYS A 39 0.807 -1.863 -6.924 1.00 0.00 H new ATOM 0 HA CYS A 39 1.999 -0.991 -4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.952 -2.302 -7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.159 -1.889 -6.075 1.00 0.00 H new ATOM 0 HG CYS A 39 3.633 -3.855 -4.422 1.00 0.00 H new ATOM 576 N PRO A 40 3.802 0.794 -4.961 1.00 0.00 N ATOM 577 CA PRO A 40 4.526 2.051 -4.993 1.00 0.00 C ATOM 578 C PRO A 40 5.771 1.996 -5.878 1.00 0.00 C ATOM 579 O PRO A 40 6.155 3.012 -6.453 1.00 0.00 O ATOM 580 CB PRO A 40 4.872 2.341 -3.535 1.00 0.00 C ATOM 581 CG PRO A 40 5.001 0.953 -2.914 1.00 0.00 C ATOM 582 CD PRO A 40 3.919 0.168 -3.651 1.00 0.00 C ATOM 0 HA PRO A 40 3.923 2.843 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.799 2.907 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.094 2.928 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.992 0.527 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.829 0.971 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.192 -0.883 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.972 0.206 -3.113 1.00 0.00 H new ATOM 590 N LEU A 41 6.434 0.837 -5.980 1.00 0.00 N ATOM 591 CA LEU A 41 7.639 0.713 -6.797 1.00 0.00 C ATOM 592 C LEU A 41 7.767 -0.705 -7.363 1.00 0.00 C ATOM 593 O LEU A 41 8.873 -1.220 -7.513 1.00 0.00 O ATOM 594 CB LEU A 41 8.856 1.163 -5.963 1.00 0.00 C ATOM 595 CG LEU A 41 10.129 1.496 -6.766 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.905 2.623 -7.783 1.00 0.00 C ATOM 597 CD2 LEU A 41 11.228 1.926 -5.788 1.00 0.00 C ATOM 0 H LEU A 41 6.155 -0.023 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 41 7.582 1.367 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.572 2.043 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.095 0.376 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 41 10.414 0.602 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.833 2.817 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.131 2.326 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.592 3.527 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.135 2.165 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.899 2.805 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.432 1.114 -5.090 1.00 0.00 H new ATOM 609 N CYS A 42 6.627 -1.315 -7.706 1.00 0.00 N ATOM 610 CA CYS A 42 6.564 -2.679 -8.227 1.00 0.00 C ATOM 611 C CYS A 42 5.699 -2.734 -9.494 1.00 0.00 C ATOM 612 O CYS A 42 6.109 -3.303 -10.502 1.00 0.00 O ATOM 613 CB CYS A 42 6.082 -3.651 -7.172 1.00 0.00 C ATOM 614 SG CYS A 42 6.504 -3.154 -5.468 1.00 0.00 S ATOM 0 H CYS A 42 5.714 -0.868 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 42 7.573 -2.986 -8.502 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.000 -3.754 -7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.512 -4.633 -7.372 1.00 0.00 H new ATOM 0 HG CYS A 42 5.595 -3.595 -4.650 1.00 0.00 H new ATOM 619 N GLY A 43 4.510 -2.119 -9.455 1.00 0.00 N ATOM 620 CA GLY A 43 3.600 -2.051 -10.590 1.00 0.00 C ATOM 621 C GLY A 43 2.702 -3.287 -10.688 1.00 0.00 C ATOM 622 O GLY A 43 2.723 -3.998 -11.690 1.00 0.00 O ATOM 0 H GLY A 43 4.155 -1.651 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.979 -1.159 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.176 -1.949 -11.510 1.00 0.00 H new ATOM 626 N VAL A 44 1.868 -3.510 -9.669 1.00 0.00 N ATOM 627 CA VAL A 44 0.835 -4.538 -9.632 1.00 0.00 C ATOM 628 C VAL A 44 -0.272 -4.018 -8.710 1.00 0.00 C ATOM 629 O VAL A 44 -0.025 -3.090 -7.941 1.00 0.00 O ATOM 630 CB VAL A 44 1.442 -5.886 -9.184 1.00 0.00 C ATOM 631 CG1 VAL A 44 2.103 -5.806 -7.805 1.00 0.00 C ATOM 632 CG2 VAL A 44 0.410 -7.021 -9.181 1.00 0.00 C ATOM 0 H VAL A 44 1.899 -2.954 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 44 0.405 -4.733 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 44 2.209 -6.110 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.512 -6.781 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.906 -5.069 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.362 -5.510 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.888 -7.946 -8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.401 -6.774 -8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.009 -7.151 -10.186 1.00 0.00 H new ATOM 642 N GLY A 45 -1.495 -4.544 -8.823 1.00 0.00 N ATOM 643 CA GLY A 45 -2.606 -4.143 -7.967 1.00 0.00 C ATOM 644 C GLY A 45 -2.387 -4.590 -6.520 1.00 0.00 C ATOM 645 O GLY A 45 -1.515 -5.410 -6.252 1.00 0.00 O ATOM 0 H GLY A 45 -1.738 -5.258 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.721 -3.060 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.533 -4.574 -8.346 1.00 0.00 H new ATOM 649 N LYS A 46 -3.202 -4.065 -5.598 1.00 0.00 N ATOM 650 CA LYS A 46 -3.166 -4.426 -4.182 1.00 0.00 C ATOM 651 C LYS A 46 -3.197 -5.951 -3.996 1.00 0.00 C ATOM 652 O LYS A 46 -2.307 -6.496 -3.356 1.00 0.00 O ATOM 653 CB LYS A 46 -4.361 -3.796 -3.454 1.00 0.00 C ATOM 654 CG LYS A 46 -4.334 -2.271 -3.400 1.00 0.00 C ATOM 655 CD LYS A 46 -5.659 -1.724 -2.858 1.00 0.00 C ATOM 656 CE LYS A 46 -5.832 -1.849 -1.341 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.183 -1.404 -0.920 1.00 0.00 N ATOM 0 H LYS A 46 -3.913 -3.369 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.235 -4.047 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.280 -4.114 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.396 -4.183 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.512 -1.939 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.150 -1.870 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.742 -0.673 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.480 -2.248 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.676 -2.884 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.074 -1.251 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.317 -1.609 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.278 -0.381 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.903 -1.910 -1.474 1.00 0.00 H new ATOM 671 N ASP A 47 -4.253 -6.591 -4.523 1.00 0.00 N ATOM 672 CA ASP A 47 -4.624 -8.004 -4.380 1.00 0.00 C ATOM 673 C ASP A 47 -4.016 -8.716 -3.159 1.00 0.00 C ATOM 674 O ASP A 47 -2.987 -9.385 -3.254 1.00 0.00 O ATOM 675 CB ASP A 47 -4.394 -8.773 -5.689 1.00 0.00 C ATOM 676 CG ASP A 47 -4.854 -10.224 -5.581 1.00 0.00 C ATOM 677 OD1 ASP A 47 -5.752 -10.481 -4.750 1.00 0.00 O ATOM 678 OD2 ASP A 47 -4.323 -11.046 -6.359 1.00 0.00 O ATOM 0 H ASP A 47 -4.923 -6.091 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.694 -8.003 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.931 -8.280 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.335 -8.745 -5.946 1.00 0.00 H new ATOM 683 N GLN A 48 -4.707 -8.588 -2.018 1.00 0.00 N ATOM 684 CA GLN A 48 -4.357 -9.191 -0.734 1.00 0.00 C ATOM 685 C GLN A 48 -3.184 -8.434 -0.094 1.00 0.00 C ATOM 686 O GLN A 48 -2.419 -7.756 -0.771 1.00 0.00 O ATOM 687 CB GLN A 48 -4.169 -10.714 -0.884 1.00 0.00 C ATOM 688 CG GLN A 48 -4.492 -11.525 0.382 1.00 0.00 C ATOM 689 CD GLN A 48 -3.353 -11.543 1.395 1.00 0.00 C ATOM 690 OE1 GLN A 48 -3.440 -10.881 2.424 1.00 0.00 O ATOM 691 NE2 GLN A 48 -2.294 -12.298 1.116 1.00 0.00 N ATOM 0 H GLN A 48 -5.563 -8.036 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.177 -9.087 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.803 -11.067 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.137 -10.913 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.382 -11.109 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.732 -12.549 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.263 -12.833 0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.513 -12.342 1.770 1.00 0.00 H new ATOM 700 N PHE A 49 -3.120 -8.422 1.236 1.00 0.00 N ATOM 701 CA PHE A 49 -2.294 -7.488 1.985 1.00 0.00 C ATOM 702 C PHE A 49 -2.305 -7.921 3.452 1.00 0.00 C ATOM 703 O PHE A 49 -3.325 -7.811 4.129 1.00 0.00 O ATOM 704 CB PHE A 49 -2.770 -6.042 1.740 1.00 0.00 C ATOM 705 CG PHE A 49 -4.282 -5.821 1.721 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.969 -5.514 2.908 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.982 -5.792 0.496 1.00 0.00 C ATOM 708 CE1 PHE A 49 -6.321 -5.137 2.877 1.00 0.00 C ATOM 709 CE2 PHE A 49 -6.339 -5.424 0.462 1.00 0.00 C ATOM 710 CZ PHE A 49 -7.006 -5.083 1.652 1.00 0.00 C ATOM 0 H PHE A 49 -3.646 -9.067 1.825 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.257 -7.503 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.341 -5.405 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.363 -5.705 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.451 -5.569 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.473 -6.054 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.834 -4.889 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.869 -5.403 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.042 -4.780 1.624 1.00 0.00 H new ATOM 720 N GLU A 50 -1.174 -8.436 3.942 1.00 0.00 N ATOM 721 CA GLU A 50 -1.055 -8.949 5.298 1.00 0.00 C ATOM 722 C GLU A 50 -0.686 -7.790 6.208 1.00 0.00 C ATOM 723 O GLU A 50 0.182 -7.003 5.850 1.00 0.00 O ATOM 724 CB GLU A 50 0.044 -10.010 5.341 1.00 0.00 C ATOM 725 CG GLU A 50 -0.328 -11.227 4.481 1.00 0.00 C ATOM 726 CD GLU A 50 0.801 -12.243 4.410 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.325 -12.587 5.492 1.00 0.00 O ATOM 728 OE2 GLU A 50 1.112 -12.660 3.274 1.00 0.00 O ATOM 0 H GLU A 50 -0.313 -8.506 3.400 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.993 -9.398 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.981 -9.582 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.209 -10.326 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.218 -11.703 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.581 -10.895 3.474 1.00 0.00 H new ATOM 735 N GLU A 51 -1.314 -7.670 7.373 1.00 0.00 N ATOM 736 CA GLU A 51 -1.054 -6.589 8.291 1.00 0.00 C ATOM 737 C GLU A 51 0.264 -6.867 9.018 1.00 0.00 C ATOM 738 O GLU A 51 0.530 -8.002 9.410 1.00 0.00 O ATOM 739 CB GLU A 51 -2.268 -6.503 9.224 1.00 0.00 C ATOM 740 CG GLU A 51 -2.036 -5.456 10.299 1.00 0.00 C ATOM 741 CD GLU A 51 -3.321 -5.090 11.031 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.093 -4.301 10.442 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.490 -5.560 12.175 1.00 0.00 O ATOM 0 H GLU A 51 -2.020 -8.329 7.700 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.932 -5.624 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.159 -6.252 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.449 -7.474 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.305 -5.829 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.610 -4.561 9.846 1.00 0.00 H new ATOM 750 N VAL A 52 1.098 -5.839 9.181 1.00 0.00 N ATOM 751 CA VAL A 52 2.348 -5.880 9.891 1.00 0.00 C ATOM 752 C VAL A 52 2.059 -5.320 11.285 1.00 0.00 C ATOM 753 O VAL A 52 1.764 -4.132 11.436 1.00 0.00 O ATOM 754 CB VAL A 52 3.369 -5.067 9.073 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.594 -4.696 9.902 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.812 -5.846 7.835 1.00 0.00 C ATOM 0 H VAL A 52 0.897 -4.916 8.797 1.00 0.00 H new ATOM 0 HA VAL A 52 2.775 -6.876 10.014 1.00 0.00 H new ATOM 0 HB VAL A 52 2.871 -4.147 8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.289 -4.123 9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.286 -4.095 10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.084 -5.604 10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.533 -5.254 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.274 -6.785 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.946 -6.056 7.208 1.00 0.00 H new ATOM 766 N GLU A 53 2.096 -6.195 12.293 1.00 0.00 N ATOM 767 CA GLU A 53 1.699 -5.939 13.665 1.00 0.00 C ATOM 768 C GLU A 53 2.701 -5.093 14.453 1.00 0.00 C ATOM 769 O GLU A 53 3.183 -5.477 15.517 1.00 0.00 O ATOM 770 CB GLU A 53 1.377 -7.271 14.339 1.00 0.00 C ATOM 771 CG GLU A 53 2.520 -8.301 14.358 1.00 0.00 C ATOM 772 CD GLU A 53 2.052 -9.604 14.992 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.131 -10.213 14.408 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.609 -9.961 16.052 1.00 0.00 O ATOM 0 H GLU A 53 2.423 -7.152 12.158 1.00 0.00 H new ATOM 0 HA GLU A 53 0.802 -5.320 13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.073 -7.073 15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.520 -7.716 13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.866 -8.488 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.368 -7.902 14.915 1.00 0.00 H new ATOM 781 N GLU A 54 2.934 -3.891 13.947 1.00 0.00 N ATOM 782 CA GLU A 54 3.421 -2.792 14.762 1.00 0.00 C ATOM 783 C GLU A 54 2.244 -2.252 15.605 1.00 0.00 C ATOM 784 O GLU A 54 1.101 -2.758 15.452 1.00 0.00 O ATOM 785 CB GLU A 54 4.089 -1.718 13.879 1.00 0.00 C ATOM 786 CG GLU A 54 5.100 -2.297 12.861 1.00 0.00 C ATOM 787 CD GLU A 54 6.475 -1.640 12.909 1.00 0.00 C ATOM 788 OE1 GLU A 54 6.593 -0.519 12.366 1.00 0.00 O ATOM 789 OE2 GLU A 54 7.409 -2.279 13.436 1.00 0.00 O ATOM 790 OXT GLU A 54 2.491 -1.327 16.405 1.00 0.00 O ATOM 0 H GLU A 54 2.791 -3.652 12.966 1.00 0.00 H new ATOM 0 HA GLU A 54 4.197 -3.130 15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.316 -1.170 13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.601 -1.000 14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.213 -3.366 13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.691 -2.187 11.856 1.00 0.00 H new