USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=13 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 -92:sc= 1.58 USER MOD Set 1.2: A 9 CYS SG : rot -110:sc= 0.0171 USER MOD Set 1.3: A 39 CYS SG : rot 175:sc= -1.16 USER MOD Set 1.4: A 42 CYS SG : rot -147:sc= -0.895 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -146:sc= 1.14 (180deg=0.735) USER MOD Single : A 4 TYR OH : rot 13:sc= 0.763 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 7 THR OG1 : rot 165:sc= 1.27 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -9:sc= 1.14 USER MOD Single : A 14 ASN : amide:sc= -0.791 K(o=-0.79,f=-6.8!) USER MOD Single : A 22 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 28 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= 1.23 (180deg=1.16) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 2.76 (180deg=2.49) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.942 0.050 11.031 1.00 0.00 N ATOM 21 CA LYS A 2 -0.624 -0.555 11.010 1.00 0.00 C ATOM 22 C LYS A 2 -0.085 -0.720 9.593 1.00 0.00 C ATOM 23 O LYS A 2 -0.744 -0.442 8.598 1.00 0.00 O ATOM 24 CB LYS A 2 -0.642 -1.912 11.692 1.00 0.00 C ATOM 25 CG LYS A 2 -1.440 -1.945 12.992 1.00 0.00 C ATOM 26 CD LYS A 2 -1.202 -3.346 13.548 1.00 0.00 C ATOM 27 CE LYS A 2 -2.400 -3.888 14.327 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.529 -3.230 15.639 1.00 0.00 N ATOM 0 HA LYS A 2 0.035 0.124 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.059 -2.647 11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.384 -2.216 11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.099 -1.178 13.687 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.500 -1.763 12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.973 -4.024 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.329 -3.329 14.200 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.312 -3.734 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.289 -4.963 14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.351 -3.619 16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.668 -3.398 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.659 -2.207 15.503 1.00 0.00 H new ATOM 42 N LYS A 3 1.156 -1.167 9.506 1.00 0.00 N ATOM 43 CA LYS A 3 1.820 -1.352 8.238 1.00 0.00 C ATOM 44 C LYS A 3 1.258 -2.579 7.535 1.00 0.00 C ATOM 45 O LYS A 3 0.495 -3.340 8.127 1.00 0.00 O ATOM 46 CB LYS A 3 3.315 -1.415 8.513 1.00 0.00 C ATOM 47 CG LYS A 3 3.736 -0.092 9.163 1.00 0.00 C ATOM 48 CD LYS A 3 5.221 -0.168 9.549 1.00 0.00 C ATOM 49 CE LYS A 3 5.543 0.780 10.715 1.00 0.00 C ATOM 50 NZ LYS A 3 6.847 0.462 11.331 1.00 0.00 N ATOM 0 H LYS A 3 1.727 -1.410 10.315 1.00 0.00 H new ATOM 0 HA LYS A 3 1.644 -0.524 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.546 -2.253 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.866 -1.576 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.569 0.735 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.128 0.102 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.475 -1.191 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.837 0.089 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.551 1.809 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.758 0.711 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.804 0.652 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.069 -0.542 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.588 1.051 10.900 1.00 0.00 H new ATOM 64 N TYR A 4 1.633 -2.772 6.271 1.00 0.00 N ATOM 65 CA TYR A 4 1.230 -3.949 5.503 1.00 0.00 C ATOM 66 C TYR A 4 2.360 -4.437 4.602 1.00 0.00 C ATOM 67 O TYR A 4 3.065 -3.623 4.007 1.00 0.00 O ATOM 68 CB TYR A 4 -0.014 -3.679 4.646 1.00 0.00 C ATOM 69 CG TYR A 4 -1.286 -3.407 5.423 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.513 -2.166 6.038 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.242 -4.423 5.548 1.00 0.00 C ATOM 72 CE1 TYR A 4 -2.708 -1.934 6.742 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.378 -4.232 6.361 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.663 -2.952 6.874 1.00 0.00 C ATOM 75 OH TYR A 4 -4.940 -2.617 7.240 1.00 0.00 O ATOM 0 H TYR A 4 2.222 -2.120 5.753 1.00 0.00 H new ATOM 0 HA TYR A 4 0.989 -4.722 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.188 -2.825 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.181 -4.538 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.768 -1.387 5.970 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.109 -5.356 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.891 -0.966 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.027 -5.064 6.589 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.060 -1.648 7.157 1.00 0.00 H new ATOM 85 N THR A 5 2.504 -5.760 4.478 1.00 0.00 N ATOM 86 CA THR A 5 3.420 -6.383 3.533 1.00 0.00 C ATOM 87 C THR A 5 2.807 -6.357 2.130 1.00 0.00 C ATOM 88 O THR A 5 1.597 -6.524 1.966 1.00 0.00 O ATOM 89 CB THR A 5 3.755 -7.810 3.995 1.00 0.00 C ATOM 90 OG1 THR A 5 4.347 -7.755 5.275 1.00 0.00 O ATOM 91 CG2 THR A 5 4.726 -8.538 3.063 1.00 0.00 C ATOM 0 H THR A 5 1.980 -6.431 5.040 1.00 0.00 H new ATOM 0 HA THR A 5 4.356 -5.825 3.495 1.00 0.00 H new ATOM 0 HB THR A 5 2.815 -8.363 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.561 -8.663 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.919 -9.539 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.289 -8.611 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.663 -7.983 3.008 1.00 0.00 H new ATOM 99 N CYS A 6 3.664 -6.135 1.132 1.00 0.00 N ATOM 100 CA CYS A 6 3.327 -6.169 -0.281 1.00 0.00 C ATOM 101 C CYS A 6 3.279 -7.628 -0.731 1.00 0.00 C ATOM 102 O CYS A 6 4.156 -8.406 -0.361 1.00 0.00 O ATOM 103 CB CYS A 6 4.395 -5.413 -1.021 1.00 0.00 C ATOM 104 SG CYS A 6 3.946 -5.115 -2.740 1.00 0.00 S ATOM 0 H CYS A 6 4.647 -5.919 1.298 1.00 0.00 H new ATOM 0 HA CYS A 6 2.357 -5.712 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.575 -4.460 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.329 -5.974 -0.983 1.00 0.00 H new ATOM 0 HG CYS A 6 4.404 -6.079 -3.482 1.00 0.00 H new ATOM 109 N THR A 7 2.256 -7.997 -1.500 1.00 0.00 N ATOM 110 CA THR A 7 1.898 -9.365 -1.827 1.00 0.00 C ATOM 111 C THR A 7 3.083 -10.244 -2.229 1.00 0.00 C ATOM 112 O THR A 7 3.279 -11.309 -1.646 1.00 0.00 O ATOM 113 CB THR A 7 0.830 -9.309 -2.924 1.00 0.00 C ATOM 114 OG1 THR A 7 -0.110 -8.321 -2.550 1.00 0.00 O ATOM 115 CG2 THR A 7 0.152 -10.670 -3.109 1.00 0.00 C ATOM 0 H THR A 7 1.630 -7.315 -1.928 1.00 0.00 H new ATOM 0 HA THR A 7 1.511 -9.847 -0.929 1.00 0.00 H new ATOM 0 HB THR A 7 1.287 -9.057 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.669 -8.093 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.601 -10.598 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.898 -11.413 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.325 -10.969 -2.176 1.00 0.00 H new ATOM 123 N VAL A 8 3.842 -9.844 -3.256 1.00 0.00 N ATOM 124 CA VAL A 8 4.903 -10.687 -3.800 1.00 0.00 C ATOM 125 C VAL A 8 5.994 -9.828 -4.451 1.00 0.00 C ATOM 126 O VAL A 8 6.607 -10.227 -5.439 1.00 0.00 O ATOM 127 CB VAL A 8 4.277 -11.774 -4.708 1.00 0.00 C ATOM 128 CG1 VAL A 8 3.580 -11.200 -5.948 1.00 0.00 C ATOM 129 CG2 VAL A 8 5.265 -12.881 -5.105 1.00 0.00 C ATOM 0 H VAL A 8 3.738 -8.943 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 8 5.423 -11.227 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 8 3.509 -12.234 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.163 -12.014 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.778 -10.530 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.303 -10.647 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.760 -13.609 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.102 -12.444 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.635 -13.378 -4.208 1.00 0.00 H new ATOM 139 N CYS A 9 6.262 -8.661 -3.857 1.00 0.00 N ATOM 140 CA CYS A 9 7.250 -7.713 -4.356 1.00 0.00 C ATOM 141 C CYS A 9 8.300 -7.461 -3.269 1.00 0.00 C ATOM 142 O CYS A 9 9.458 -7.839 -3.425 1.00 0.00 O ATOM 143 CB CYS A 9 6.572 -6.443 -4.804 1.00 0.00 C ATOM 144 SG CYS A 9 4.942 -6.732 -5.561 1.00 0.00 S ATOM 0 H CYS A 9 5.791 -8.349 -3.007 1.00 0.00 H new ATOM 0 HA CYS A 9 7.760 -8.124 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.456 -5.779 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.213 -5.929 -5.521 1.00 0.00 H new ATOM 0 HG CYS A 9 5.006 -6.485 -6.836 1.00 0.00 H new ATOM 149 N GLY A 10 7.879 -6.855 -2.151 1.00 0.00 N ATOM 150 CA GLY A 10 8.714 -6.590 -0.985 1.00 0.00 C ATOM 151 C GLY A 10 8.867 -5.091 -0.720 1.00 0.00 C ATOM 152 O GLY A 10 9.985 -4.590 -0.632 1.00 0.00 O ATOM 0 H GLY A 10 6.920 -6.528 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.277 -7.070 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.698 -7.034 -1.135 1.00 0.00 H new ATOM 156 N TYR A 11 7.745 -4.380 -0.557 1.00 0.00 N ATOM 157 CA TYR A 11 7.707 -2.944 -0.317 1.00 0.00 C ATOM 158 C TYR A 11 6.636 -2.641 0.737 1.00 0.00 C ATOM 159 O TYR A 11 5.477 -2.415 0.404 1.00 0.00 O ATOM 160 CB TYR A 11 7.435 -2.233 -1.652 1.00 0.00 C ATOM 161 CG TYR A 11 7.640 -0.730 -1.614 1.00 0.00 C ATOM 162 CD1 TYR A 11 8.904 -0.192 -1.915 1.00 0.00 C ATOM 163 CD2 TYR A 11 6.575 0.129 -1.284 1.00 0.00 C ATOM 164 CE1 TYR A 11 9.107 1.199 -1.871 1.00 0.00 C ATOM 165 CE2 TYR A 11 6.779 1.519 -1.237 1.00 0.00 C ATOM 166 CZ TYR A 11 8.043 2.054 -1.537 1.00 0.00 C ATOM 167 OH TYR A 11 8.247 3.401 -1.491 1.00 0.00 O ATOM 0 H TYR A 11 6.818 -4.804 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 11 8.658 -2.579 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.087 -2.657 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.409 -2.440 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.720 -0.848 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.600 -0.280 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.081 1.610 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.964 2.176 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 11 7.411 3.850 -1.246 1.00 0.00 H new ATOM 177 N ILE A 12 6.996 -2.686 2.025 1.00 0.00 N ATOM 178 CA ILE A 12 6.027 -2.485 3.101 1.00 0.00 C ATOM 179 C ILE A 12 5.322 -1.130 2.961 1.00 0.00 C ATOM 180 O ILE A 12 5.976 -0.092 2.881 1.00 0.00 O ATOM 181 CB ILE A 12 6.685 -2.684 4.486 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.758 -4.202 4.740 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.911 -1.974 5.616 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.622 -4.599 5.940 1.00 0.00 C ATOM 0 H ILE A 12 7.949 -2.860 2.344 1.00 0.00 H new ATOM 0 HA ILE A 12 5.251 -3.246 3.017 1.00 0.00 H new ATOM 0 HB ILE A 12 7.679 -2.236 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.748 -4.582 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.150 -4.689 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.416 -2.146 6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.873 -0.904 5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.897 -2.370 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.619 -5.684 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.644 -4.253 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.219 -4.144 6.845 1.00 0.00 H new ATOM 196 N TYR A 13 3.988 -1.153 2.968 1.00 0.00 N ATOM 197 CA TYR A 13 3.160 0.039 3.005 1.00 0.00 C ATOM 198 C TYR A 13 3.075 0.515 4.455 1.00 0.00 C ATOM 199 O TYR A 13 2.876 -0.306 5.354 1.00 0.00 O ATOM 200 CB TYR A 13 1.768 -0.302 2.459 1.00 0.00 C ATOM 201 CG TYR A 13 0.763 0.833 2.543 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.086 1.090 3.748 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.495 1.634 1.421 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.783 2.188 3.844 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.195 2.852 1.588 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.831 3.141 2.813 1.00 0.00 C ATOM 207 OH TYR A 13 -1.668 4.223 2.914 1.00 0.00 O ATOM 0 H TYR A 13 3.450 -2.019 2.948 1.00 0.00 H new ATOM 0 HA TYR A 13 3.586 0.832 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.865 -0.608 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.376 -1.159 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.235 0.443 4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.815 1.320 0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.416 2.300 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.237 3.564 0.777 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.262 4.106 3.684 1.00 0.00 H new ATOM 217 N ASN A 14 3.187 1.831 4.676 1.00 0.00 N ATOM 218 CA ASN A 14 3.041 2.457 5.985 1.00 0.00 C ATOM 219 C ASN A 14 1.933 3.506 5.937 1.00 0.00 C ATOM 220 O ASN A 14 2.093 4.526 5.272 1.00 0.00 O ATOM 221 CB ASN A 14 4.369 3.085 6.418 1.00 0.00 C ATOM 222 CG ASN A 14 4.324 3.557 7.866 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.350 3.349 8.580 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.398 4.157 8.338 1.00 0.00 N ATOM 0 H ASN A 14 3.386 2.499 3.931 1.00 0.00 H new ATOM 0 HA ASN A 14 2.767 1.699 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.172 2.358 6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.602 3.928 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.428 4.457 9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.199 4.322 7.729 1.00 0.00 H new ATOM 231 N PRO A 15 0.802 3.298 6.626 1.00 0.00 N ATOM 232 CA PRO A 15 -0.330 4.195 6.503 1.00 0.00 C ATOM 233 C PRO A 15 -0.005 5.572 7.030 1.00 0.00 C ATOM 234 O PRO A 15 -0.433 6.555 6.438 1.00 0.00 O ATOM 235 CB PRO A 15 -1.494 3.565 7.264 1.00 0.00 C ATOM 236 CG PRO A 15 -0.850 2.505 8.147 1.00 0.00 C ATOM 237 CD PRO A 15 0.553 2.244 7.593 1.00 0.00 C ATOM 0 HA PRO A 15 -0.593 4.329 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.026 4.307 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.221 3.124 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.798 2.846 9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.442 1.590 8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.297 2.261 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.611 1.262 7.124 1.00 0.00 H new ATOM 245 N GLU A 16 0.767 5.655 8.111 1.00 0.00 N ATOM 246 CA GLU A 16 1.136 6.926 8.695 1.00 0.00 C ATOM 247 C GLU A 16 1.871 7.810 7.685 1.00 0.00 C ATOM 248 O GLU A 16 1.721 9.030 7.704 1.00 0.00 O ATOM 249 CB GLU A 16 1.969 6.655 9.942 1.00 0.00 C ATOM 250 CG GLU A 16 1.155 5.843 10.964 1.00 0.00 C ATOM 251 CD GLU A 16 1.675 6.032 12.383 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.877 5.761 12.586 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.857 6.446 13.232 1.00 0.00 O ATOM 0 H GLU A 16 1.148 4.844 8.598 1.00 0.00 H new ATOM 0 HA GLU A 16 0.242 7.481 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.873 6.110 9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.287 7.598 10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.109 6.145 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.193 4.786 10.701 1.00 0.00 H new ATOM 260 N ASP A 17 2.622 7.177 6.782 1.00 0.00 N ATOM 261 CA ASP A 17 3.338 7.859 5.711 1.00 0.00 C ATOM 262 C ASP A 17 2.424 8.018 4.493 1.00 0.00 C ATOM 263 O ASP A 17 2.529 8.991 3.748 1.00 0.00 O ATOM 264 CB ASP A 17 4.580 7.047 5.323 1.00 0.00 C ATOM 265 CG ASP A 17 5.694 7.049 6.362 1.00 0.00 C ATOM 266 OD1 ASP A 17 6.011 8.145 6.870 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.232 5.946 6.616 1.00 0.00 O ATOM 0 H ASP A 17 2.749 6.165 6.777 1.00 0.00 H new ATOM 0 HA ASP A 17 3.645 8.846 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.279 6.016 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.975 7.439 4.386 1.00 0.00 H new ATOM 272 N GLY A 18 1.527 7.054 4.277 1.00 0.00 N ATOM 273 CA GLY A 18 0.770 6.927 3.053 1.00 0.00 C ATOM 274 C GLY A 18 1.693 6.632 1.869 1.00 0.00 C ATOM 275 O GLY A 18 2.802 6.132 2.043 1.00 0.00 O ATOM 0 H GLY A 18 1.311 6.333 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.036 6.127 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.215 7.847 2.867 1.00 0.00 H new ATOM 279 N ASP A 19 1.224 6.968 0.667 1.00 0.00 N ATOM 280 CA ASP A 19 1.978 6.932 -0.582 1.00 0.00 C ATOM 281 C ASP A 19 1.524 8.137 -1.431 1.00 0.00 C ATOM 282 O ASP A 19 0.958 7.972 -2.519 1.00 0.00 O ATOM 283 CB ASP A 19 1.763 5.563 -1.272 1.00 0.00 C ATOM 284 CG ASP A 19 2.988 4.658 -1.199 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.060 5.111 -1.656 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.813 3.507 -0.746 1.00 0.00 O ATOM 0 H ASP A 19 0.264 7.287 0.534 1.00 0.00 H new ATOM 0 HA ASP A 19 3.053 7.021 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.917 5.057 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.501 5.727 -2.317 1.00 0.00 H new ATOM 291 N PRO A 20 1.719 9.373 -0.937 1.00 0.00 N ATOM 292 CA PRO A 20 1.128 10.561 -1.536 1.00 0.00 C ATOM 293 C PRO A 20 1.619 10.774 -2.961 1.00 0.00 C ATOM 294 O PRO A 20 0.851 11.216 -3.811 1.00 0.00 O ATOM 295 CB PRO A 20 1.478 11.733 -0.617 1.00 0.00 C ATOM 296 CG PRO A 20 2.683 11.232 0.180 1.00 0.00 C ATOM 297 CD PRO A 20 2.450 9.725 0.270 1.00 0.00 C ATOM 0 HA PRO A 20 0.046 10.459 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.722 12.629 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.645 11.989 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.622 11.464 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.730 11.691 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.395 9.184 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.880 9.468 1.163 1.00 0.00 H new ATOM 305 N ASP A 21 2.871 10.406 -3.239 1.00 0.00 N ATOM 306 CA ASP A 21 3.491 10.512 -4.544 1.00 0.00 C ATOM 307 C ASP A 21 2.689 9.723 -5.581 1.00 0.00 C ATOM 308 O ASP A 21 2.648 10.080 -6.757 1.00 0.00 O ATOM 309 CB ASP A 21 4.920 9.970 -4.425 1.00 0.00 C ATOM 310 CG ASP A 21 5.711 10.694 -3.346 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.357 10.465 -2.167 1.00 0.00 O ATOM 312 OD2 ASP A 21 6.620 11.466 -3.714 1.00 0.00 O ATOM 0 H ASP A 21 3.494 10.014 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 21 3.513 11.550 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.887 8.904 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.430 10.076 -5.382 1.00 0.00 H new ATOM 317 N ASN A 22 2.051 8.641 -5.127 1.00 0.00 N ATOM 318 CA ASN A 22 1.230 7.752 -5.932 1.00 0.00 C ATOM 319 C ASN A 22 -0.227 8.192 -5.888 1.00 0.00 C ATOM 320 O ASN A 22 -0.971 7.972 -6.840 1.00 0.00 O ATOM 321 CB ASN A 22 1.370 6.313 -5.426 1.00 0.00 C ATOM 322 CG ASN A 22 2.821 5.867 -5.303 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.353 5.209 -6.188 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.455 6.203 -4.185 1.00 0.00 N ATOM 0 H ASN A 22 2.098 8.355 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 22 1.571 7.796 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.885 6.226 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.845 5.642 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.422 5.912 -4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.975 6.753 -3.472 1.00 0.00 H new ATOM 331 N GLY A 23 -0.622 8.811 -4.776 1.00 0.00 N ATOM 332 CA GLY A 23 -1.917 9.449 -4.605 1.00 0.00 C ATOM 333 C GLY A 23 -2.543 9.181 -3.236 1.00 0.00 C ATOM 334 O GLY A 23 -3.608 9.711 -2.924 1.00 0.00 O ATOM 0 H GLY A 23 -0.030 8.882 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.806 10.525 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.594 9.096 -5.383 1.00 0.00 H new ATOM 338 N VAL A 24 -1.901 8.355 -2.409 1.00 0.00 N ATOM 339 CA VAL A 24 -2.460 7.896 -1.149 1.00 0.00 C ATOM 340 C VAL A 24 -1.970 8.814 -0.037 1.00 0.00 C ATOM 341 O VAL A 24 -0.794 8.808 0.307 1.00 0.00 O ATOM 342 CB VAL A 24 -2.044 6.438 -0.933 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.467 5.921 0.440 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.669 5.542 -2.006 1.00 0.00 C ATOM 0 H VAL A 24 -0.970 7.986 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.549 7.933 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.956 6.406 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.152 4.883 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.000 6.527 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.551 5.983 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.365 4.509 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.755 5.613 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.333 5.865 -2.991 1.00 0.00 H new ATOM 354 N ASN A 25 -2.860 9.626 0.526 1.00 0.00 N ATOM 355 CA ASN A 25 -2.486 10.580 1.561 1.00 0.00 C ATOM 356 C ASN A 25 -1.965 9.847 2.804 1.00 0.00 C ATOM 357 O ASN A 25 -2.341 8.698 3.037 1.00 0.00 O ATOM 358 CB ASN A 25 -3.702 11.450 1.912 1.00 0.00 C ATOM 359 CG ASN A 25 -3.868 12.620 0.949 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.792 13.776 1.353 1.00 0.00 O ATOM 361 ND2 ASN A 25 -4.087 12.348 -0.335 1.00 0.00 N ATOM 0 H ASN A 25 -3.850 9.641 0.280 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.685 11.220 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.603 10.837 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.594 11.830 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.195 13.108 -1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.146 11.379 -0.648 1.00 0.00 H new ATOM 368 N PRO A 26 -1.125 10.487 3.630 1.00 0.00 N ATOM 369 CA PRO A 26 -0.781 9.934 4.924 1.00 0.00 C ATOM 370 C PRO A 26 -2.035 9.744 5.772 1.00 0.00 C ATOM 371 O PRO A 26 -3.021 10.465 5.635 1.00 0.00 O ATOM 372 CB PRO A 26 0.218 10.894 5.566 1.00 0.00 C ATOM 373 CG PRO A 26 0.062 12.197 4.785 1.00 0.00 C ATOM 374 CD PRO A 26 -0.511 11.787 3.427 1.00 0.00 C ATOM 0 HA PRO A 26 -0.329 8.946 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.003 11.039 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.236 10.511 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.605 12.888 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.020 12.704 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.243 12.514 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.273 11.735 2.672 1.00 0.00 H new ATOM 382 N GLY A 27 -1.982 8.733 6.629 1.00 0.00 N ATOM 383 CA GLY A 27 -3.073 8.292 7.471 1.00 0.00 C ATOM 384 C GLY A 27 -4.147 7.522 6.712 1.00 0.00 C ATOM 385 O GLY A 27 -5.243 7.371 7.249 1.00 0.00 O ATOM 0 H GLY A 27 -1.137 8.177 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.677 7.661 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.527 9.160 7.949 1.00 0.00 H new ATOM 389 N THR A 28 -3.874 7.004 5.506 1.00 0.00 N ATOM 390 CA THR A 28 -4.867 6.232 4.794 1.00 0.00 C ATOM 391 C THR A 28 -4.655 4.776 5.161 1.00 0.00 C ATOM 392 O THR A 28 -3.587 4.224 4.890 1.00 0.00 O ATOM 393 CB THR A 28 -4.694 6.454 3.290 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.874 7.815 2.965 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.744 5.673 2.522 1.00 0.00 C ATOM 0 H THR A 28 -2.984 7.111 5.020 1.00 0.00 H new ATOM 0 HA THR A 28 -5.879 6.535 5.061 1.00 0.00 H new ATOM 0 HB THR A 28 -3.689 6.126 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.079 8.323 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.611 5.839 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.639 4.610 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.737 6.008 2.820 1.00 0.00 H new ATOM 403 N ASP A 29 -5.669 4.151 5.758 1.00 0.00 N ATOM 404 CA ASP A 29 -5.620 2.730 6.014 1.00 0.00 C ATOM 405 C ASP A 29 -5.601 2.015 4.682 1.00 0.00 C ATOM 406 O ASP A 29 -6.309 2.398 3.755 1.00 0.00 O ATOM 407 CB ASP A 29 -6.849 2.274 6.785 1.00 0.00 C ATOM 408 CG ASP A 29 -6.663 0.936 7.482 1.00 0.00 C ATOM 409 OD1 ASP A 29 -5.749 0.147 7.129 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.385 0.720 8.486 1.00 0.00 O ATOM 0 H ASP A 29 -6.525 4.611 6.068 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.732 2.504 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.104 3.030 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.693 2.204 6.099 1.00 0.00 H new ATOM 415 N PHE A 30 -4.850 0.930 4.615 1.00 0.00 N ATOM 416 CA PHE A 30 -4.792 0.064 3.454 1.00 0.00 C ATOM 417 C PHE A 30 -6.183 -0.323 2.946 1.00 0.00 C ATOM 418 O PHE A 30 -6.399 -0.488 1.742 1.00 0.00 O ATOM 419 CB PHE A 30 -3.978 -1.164 3.835 1.00 0.00 C ATOM 420 CG PHE A 30 -3.240 -1.770 2.678 1.00 0.00 C ATOM 421 CD1 PHE A 30 -3.943 -2.436 1.663 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.852 -1.583 2.572 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.251 -2.915 0.544 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.154 -2.127 1.490 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.859 -2.805 0.493 1.00 0.00 C ATOM 0 H PHE A 30 -4.252 0.621 5.382 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.317 0.594 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.262 -0.891 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.643 -1.913 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.011 -2.578 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.324 -1.019 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.790 -3.367 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.081 -2.024 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.320 -3.251 -0.330 1.00 0.00 H new ATOM 435 N LYS A 31 -7.152 -0.459 3.854 1.00 0.00 N ATOM 436 CA LYS A 31 -8.498 -0.789 3.413 1.00 0.00 C ATOM 437 C LYS A 31 -9.111 0.366 2.616 1.00 0.00 C ATOM 438 O LYS A 31 -9.809 0.139 1.633 1.00 0.00 O ATOM 439 CB LYS A 31 -9.362 -1.268 4.576 1.00 0.00 C ATOM 440 CG LYS A 31 -9.681 -0.107 5.506 1.00 0.00 C ATOM 441 CD LYS A 31 -10.438 -0.604 6.730 1.00 0.00 C ATOM 442 CE LYS A 31 -10.869 0.592 7.598 1.00 0.00 C ATOM 443 NZ LYS A 31 -10.004 0.777 8.779 1.00 0.00 N ATOM 0 H LYS A 31 -7.033 -0.350 4.861 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.446 -1.632 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.286 -1.704 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.842 -2.052 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.758 0.384 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.277 0.637 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.314 -1.175 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.807 -1.278 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.852 1.499 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.898 0.446 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.973 1.785 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.386 0.231 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.043 0.445 8.561 1.00 0.00 H new ATOM 457 N ASP A 32 -8.817 1.598 3.039 1.00 0.00 N ATOM 458 CA ASP A 32 -9.380 2.818 2.489 1.00 0.00 C ATOM 459 C ASP A 32 -8.701 3.158 1.161 1.00 0.00 C ATOM 460 O ASP A 32 -9.254 3.919 0.370 1.00 0.00 O ATOM 461 CB ASP A 32 -9.208 3.982 3.481 1.00 0.00 C ATOM 462 CG ASP A 32 -9.765 3.732 4.879 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.774 3.005 4.993 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.144 4.256 5.829 1.00 0.00 O ATOM 0 H ASP A 32 -8.159 1.771 3.798 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.444 2.662 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.146 4.212 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.693 4.866 3.067 1.00 0.00 H new ATOM 469 N ILE A 33 -7.494 2.631 0.909 1.00 0.00 N ATOM 470 CA ILE A 33 -6.776 2.876 -0.321 1.00 0.00 C ATOM 471 C ILE A 33 -7.664 2.475 -1.500 1.00 0.00 C ATOM 472 O ILE A 33 -8.208 1.369 -1.478 1.00 0.00 O ATOM 473 CB ILE A 33 -5.502 2.043 -0.308 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.590 2.500 0.819 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.717 2.113 -1.600 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.215 1.840 0.770 1.00 0.00 C ATOM 0 H ILE A 33 -6.999 2.024 1.562 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.517 3.930 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.827 1.012 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.471 3.582 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.062 2.276 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.823 1.495 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.334 1.749 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.427 3.146 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.607 2.204 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.327 0.759 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.727 2.085 -0.173 1.00 0.00 H new ATOM 488 N PRO A 34 -7.765 3.315 -2.538 1.00 0.00 N ATOM 489 CA PRO A 34 -8.510 2.992 -3.738 1.00 0.00 C ATOM 490 C PRO A 34 -7.926 1.733 -4.373 1.00 0.00 C ATOM 491 O PRO A 34 -6.711 1.616 -4.509 1.00 0.00 O ATOM 492 CB PRO A 34 -8.346 4.184 -4.682 1.00 0.00 C ATOM 493 CG PRO A 34 -7.514 5.228 -3.937 1.00 0.00 C ATOM 494 CD PRO A 34 -6.965 4.509 -2.706 1.00 0.00 C ATOM 0 HA PRO A 34 -9.562 2.806 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.850 3.881 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.317 4.592 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.706 5.606 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.124 6.085 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.913 4.256 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.029 5.146 -1.824 1.00 0.00 H new ATOM 502 N ASP A 35 -8.768 0.792 -4.789 1.00 0.00 N ATOM 503 CA ASP A 35 -8.301 -0.465 -5.334 1.00 0.00 C ATOM 504 C ASP A 35 -7.747 -0.314 -6.758 1.00 0.00 C ATOM 505 O ASP A 35 -7.183 -1.260 -7.301 1.00 0.00 O ATOM 506 CB ASP A 35 -9.411 -1.509 -5.161 1.00 0.00 C ATOM 507 CG ASP A 35 -9.189 -2.392 -3.931 1.00 0.00 C ATOM 508 OD1 ASP A 35 -8.888 -1.837 -2.846 1.00 0.00 O ATOM 509 OD2 ASP A 35 -9.309 -3.624 -4.087 1.00 0.00 O ATOM 0 H ASP A 35 -9.783 0.884 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.434 -0.826 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.373 -1.003 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.460 -2.136 -6.052 1.00 0.00 H new ATOM 514 N ASP A 36 -7.831 0.891 -7.336 1.00 0.00 N ATOM 515 CA ASP A 36 -7.087 1.280 -8.522 1.00 0.00 C ATOM 516 C ASP A 36 -5.613 1.585 -8.220 1.00 0.00 C ATOM 517 O ASP A 36 -4.814 1.682 -9.151 1.00 0.00 O ATOM 518 CB ASP A 36 -7.785 2.471 -9.188 1.00 0.00 C ATOM 519 CG ASP A 36 -7.854 3.690 -8.281 1.00 0.00 C ATOM 520 OD1 ASP A 36 -6.805 4.341 -8.102 1.00 0.00 O ATOM 521 OD2 ASP A 36 -8.961 3.916 -7.746 1.00 0.00 O ATOM 0 H ASP A 36 -8.433 1.632 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.078 0.436 -9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.254 2.733 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.795 2.180 -9.477 1.00 0.00 H new ATOM 526 N TRP A 37 -5.226 1.718 -6.945 1.00 0.00 N ATOM 527 CA TRP A 37 -3.848 2.009 -6.581 1.00 0.00 C ATOM 528 C TRP A 37 -2.922 0.835 -6.922 1.00 0.00 C ATOM 529 O TRP A 37 -3.318 -0.329 -6.869 1.00 0.00 O ATOM 530 CB TRP A 37 -3.772 2.362 -5.096 1.00 0.00 C ATOM 531 CG TRP A 37 -2.398 2.546 -4.528 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.650 3.672 -4.535 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.588 1.533 -3.874 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.468 3.439 -3.856 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.378 2.131 -3.424 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.768 0.159 -3.634 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.593 1.405 -2.719 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -0.801 -0.583 -2.929 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.368 0.042 -2.456 1.00 0.00 C ATOM 0 H TRP A 37 -5.858 1.627 -6.149 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.506 2.865 -7.163 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.336 3.281 -4.933 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.274 1.576 -4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.931 4.606 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.249 4.146 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.659 -0.333 -3.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.500 1.886 -2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.957 -1.637 -2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.093 -0.525 -1.891 1.00 0.00 H new ATOM 550 N VAL A 38 -1.672 1.174 -7.247 1.00 0.00 N ATOM 551 CA VAL A 38 -0.612 0.274 -7.711 1.00 0.00 C ATOM 552 C VAL A 38 0.620 0.457 -6.810 1.00 0.00 C ATOM 553 O VAL A 38 0.861 1.587 -6.384 1.00 0.00 O ATOM 554 CB VAL A 38 -0.309 0.616 -9.185 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.790 -0.258 -9.798 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.573 0.447 -10.042 1.00 0.00 C ATOM 0 H VAL A 38 -1.353 2.141 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.913 -0.772 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 38 0.037 1.650 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.952 0.036 -10.835 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.714 -0.128 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.486 -1.304 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.345 0.692 -11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.919 -0.585 -9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.353 1.114 -9.675 1.00 0.00 H new ATOM 566 N CYS A 39 1.396 -0.600 -6.507 1.00 0.00 N ATOM 567 CA CYS A 39 2.608 -0.436 -5.704 1.00 0.00 C ATOM 568 C CYS A 39 3.779 0.019 -6.600 1.00 0.00 C ATOM 569 O CYS A 39 3.956 -0.506 -7.703 1.00 0.00 O ATOM 570 CB CYS A 39 2.899 -1.647 -4.832 1.00 0.00 C ATOM 571 SG CYS A 39 2.784 -3.285 -5.623 1.00 0.00 S ATOM 0 H CYS A 39 1.205 -1.557 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 39 2.449 0.363 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.904 -1.537 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.210 -1.630 -3.988 1.00 0.00 H new ATOM 0 HG CYS A 39 3.162 -4.201 -4.781 1.00 0.00 H new ATOM 576 N PRO A 40 4.550 1.048 -6.204 1.00 0.00 N ATOM 577 CA PRO A 40 5.611 1.600 -7.036 1.00 0.00 C ATOM 578 C PRO A 40 6.867 0.727 -6.977 1.00 0.00 C ATOM 579 O PRO A 40 7.248 0.252 -5.912 1.00 0.00 O ATOM 580 CB PRO A 40 5.880 2.998 -6.473 1.00 0.00 C ATOM 581 CG PRO A 40 5.551 2.839 -4.989 1.00 0.00 C ATOM 582 CD PRO A 40 4.385 1.850 -4.998 1.00 0.00 C ATOM 0 HA PRO A 40 5.323 1.639 -8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.915 3.303 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.252 3.752 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.402 2.455 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.271 3.789 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.398 1.222 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.429 2.373 -5.005 1.00 0.00 H new ATOM 590 N LEU A 41 7.531 0.543 -8.126 1.00 0.00 N ATOM 591 CA LEU A 41 8.737 -0.276 -8.265 1.00 0.00 C ATOM 592 C LEU A 41 8.466 -1.738 -7.875 1.00 0.00 C ATOM 593 O LEU A 41 9.358 -2.449 -7.419 1.00 0.00 O ATOM 594 CB LEU A 41 9.913 0.381 -7.511 1.00 0.00 C ATOM 595 CG LEU A 41 11.321 -0.184 -7.796 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.666 -0.203 -9.290 1.00 0.00 C ATOM 597 CD2 LEU A 41 12.356 0.666 -7.051 1.00 0.00 C ATOM 0 H LEU A 41 7.235 0.971 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 41 9.035 -0.318 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.918 1.445 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.722 0.295 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 41 11.334 -1.218 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.668 -0.610 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.946 -0.824 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.630 0.812 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.355 0.276 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.296 1.698 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.154 0.630 -5.980 1.00 0.00 H new ATOM 609 N CYS A 42 7.234 -2.190 -8.122 1.00 0.00 N ATOM 610 CA CYS A 42 6.765 -3.531 -7.826 1.00 0.00 C ATOM 611 C CYS A 42 6.185 -4.161 -9.102 1.00 0.00 C ATOM 612 O CYS A 42 6.934 -4.680 -9.928 1.00 0.00 O ATOM 613 CB CYS A 42 5.733 -3.434 -6.740 1.00 0.00 C ATOM 614 SG CYS A 42 6.399 -3.214 -5.074 1.00 0.00 S ATOM 0 H CYS A 42 6.516 -1.605 -8.549 1.00 0.00 H new ATOM 0 HA CYS A 42 7.581 -4.168 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.069 -2.599 -6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.124 -4.338 -6.756 1.00 0.00 H new ATOM 0 HG CYS A 42 5.622 -3.804 -4.215 1.00 0.00 H new ATOM 619 N GLY A 43 4.857 -4.123 -9.271 1.00 0.00 N ATOM 620 CA GLY A 43 4.137 -4.934 -10.234 1.00 0.00 C ATOM 621 C GLY A 43 2.798 -5.334 -9.619 1.00 0.00 C ATOM 622 O GLY A 43 2.776 -6.073 -8.643 1.00 0.00 O ATOM 0 H GLY A 43 4.250 -3.511 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.979 -4.376 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.716 -5.821 -10.492 1.00 0.00 H new ATOM 626 N VAL A 44 1.693 -4.845 -10.190 1.00 0.00 N ATOM 627 CA VAL A 44 0.340 -4.971 -9.650 1.00 0.00 C ATOM 628 C VAL A 44 0.130 -3.980 -8.494 1.00 0.00 C ATOM 629 O VAL A 44 0.944 -3.081 -8.283 1.00 0.00 O ATOM 630 CB VAL A 44 -0.055 -6.453 -9.388 1.00 0.00 C ATOM 631 CG1 VAL A 44 -0.105 -6.912 -7.917 1.00 0.00 C ATOM 632 CG2 VAL A 44 -1.405 -6.773 -10.043 1.00 0.00 C ATOM 0 H VAL A 44 1.719 -4.333 -11.072 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.389 -4.669 -10.402 1.00 0.00 H new ATOM 0 HB VAL A 44 0.768 -7.010 -9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.392 -7.963 -7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.878 -6.785 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.836 -6.313 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.666 -7.814 -9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.175 -6.123 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.335 -6.610 -11.119 1.00 0.00 H new ATOM 642 N GLY A 45 -1.010 -4.075 -7.811 1.00 0.00 N ATOM 643 CA GLY A 45 -1.350 -3.215 -6.695 1.00 0.00 C ATOM 644 C GLY A 45 -1.790 -4.044 -5.503 1.00 0.00 C ATOM 645 O GLY A 45 -1.060 -4.910 -5.032 1.00 0.00 O ATOM 0 H GLY A 45 -1.730 -4.765 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.489 -2.604 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.148 -2.531 -6.985 1.00 0.00 H new ATOM 649 N LYS A 46 -2.994 -3.764 -5.016 1.00 0.00 N ATOM 650 CA LYS A 46 -3.562 -4.475 -3.888 1.00 0.00 C ATOM 651 C LYS A 46 -4.186 -5.790 -4.370 1.00 0.00 C ATOM 652 O LYS A 46 -4.426 -5.966 -5.565 1.00 0.00 O ATOM 653 CB LYS A 46 -4.644 -3.618 -3.225 1.00 0.00 C ATOM 654 CG LYS A 46 -4.372 -2.117 -3.129 1.00 0.00 C ATOM 655 CD LYS A 46 -5.640 -1.400 -2.657 1.00 0.00 C ATOM 656 CE LYS A 46 -5.952 -1.568 -1.171 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.333 -1.116 -0.875 1.00 0.00 N ATOM 0 H LYS A 46 -3.600 -3.037 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.773 -4.686 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.574 -3.760 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.808 -3.999 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.554 -1.928 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.062 -1.730 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.543 -0.337 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.487 -1.769 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.836 -2.613 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.240 -0.995 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.494 -1.141 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.462 -0.144 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.013 -1.745 -1.347 1.00 0.00 H new ATOM 671 N ASP A 47 -4.524 -6.666 -3.420 1.00 0.00 N ATOM 672 CA ASP A 47 -5.264 -7.898 -3.655 1.00 0.00 C ATOM 673 C ASP A 47 -5.894 -8.356 -2.335 1.00 0.00 C ATOM 674 O ASP A 47 -7.091 -8.185 -2.120 1.00 0.00 O ATOM 675 CB ASP A 47 -4.369 -8.970 -4.313 1.00 0.00 C ATOM 676 CG ASP A 47 -2.962 -9.060 -3.735 1.00 0.00 C ATOM 677 OD1 ASP A 47 -2.824 -9.605 -2.620 1.00 0.00 O ATOM 678 OD2 ASP A 47 -2.029 -8.542 -4.383 1.00 0.00 O ATOM 0 H ASP A 47 -4.281 -6.529 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.071 -7.722 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.853 -9.941 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.297 -8.760 -5.380 1.00 0.00 H new ATOM 683 N GLN A 48 -5.075 -8.910 -1.448 1.00 0.00 N ATOM 684 CA GLN A 48 -5.426 -9.464 -0.156 1.00 0.00 C ATOM 685 C GLN A 48 -4.603 -8.783 0.939 1.00 0.00 C ATOM 686 O GLN A 48 -5.155 -8.534 2.008 1.00 0.00 O ATOM 687 CB GLN A 48 -5.161 -10.979 -0.170 1.00 0.00 C ATOM 688 CG GLN A 48 -6.265 -11.767 0.545 1.00 0.00 C ATOM 689 CD GLN A 48 -7.487 -11.961 -0.350 1.00 0.00 C ATOM 690 OE1 GLN A 48 -7.494 -12.826 -1.218 1.00 0.00 O ATOM 691 NE2 GLN A 48 -8.542 -11.177 -0.146 1.00 0.00 N ATOM 0 H GLN A 48 -4.075 -8.987 -1.632 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.482 -9.289 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.082 -11.323 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.203 -11.183 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.879 -12.740 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.558 -11.241 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.514 -10.463 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.379 -11.289 -0.718 1.00 0.00 H new ATOM 700 N PHE A 49 -3.317 -8.500 0.652 1.00 0.00 N ATOM 701 CA PHE A 49 -2.311 -7.922 1.554 1.00 0.00 C ATOM 702 C PHE A 49 -2.175 -8.700 2.877 1.00 0.00 C ATOM 703 O PHE A 49 -2.924 -9.636 3.147 1.00 0.00 O ATOM 704 CB PHE A 49 -2.497 -6.393 1.727 1.00 0.00 C ATOM 705 CG PHE A 49 -3.886 -5.938 2.145 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.293 -6.039 3.488 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.831 -5.565 1.170 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.567 -5.593 3.878 1.00 0.00 C ATOM 709 CE2 PHE A 49 -6.119 -5.151 1.552 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.471 -5.120 2.912 1.00 0.00 C ATOM 0 H PHE A 49 -2.933 -8.682 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.341 -8.041 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.781 -6.041 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.244 -5.907 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.623 -6.461 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.565 -5.597 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.851 -5.614 4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.837 -4.857 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.433 -4.734 3.214 1.00 0.00 H new ATOM 720 N GLU A 50 -1.191 -8.329 3.704 1.00 0.00 N ATOM 721 CA GLU A 50 -1.024 -8.852 5.054 1.00 0.00 C ATOM 722 C GLU A 50 -0.642 -7.680 5.945 1.00 0.00 C ATOM 723 O GLU A 50 0.176 -6.863 5.530 1.00 0.00 O ATOM 724 CB GLU A 50 0.084 -9.909 5.097 1.00 0.00 C ATOM 725 CG GLU A 50 -0.247 -11.146 4.256 1.00 0.00 C ATOM 726 CD GLU A 50 0.761 -12.258 4.511 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.900 -12.108 4.021 1.00 0.00 O ATOM 728 OE2 GLU A 50 0.380 -13.221 5.210 1.00 0.00 O ATOM 0 H GLU A 50 -0.480 -7.646 3.445 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.947 -9.324 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.015 -9.469 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.252 -10.212 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.251 -11.497 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.246 -10.883 3.198 1.00 0.00 H new ATOM 735 N GLU A 51 -1.230 -7.579 7.138 1.00 0.00 N ATOM 736 CA GLU A 51 -0.905 -6.551 8.103 1.00 0.00 C ATOM 737 C GLU A 51 0.453 -6.900 8.721 1.00 0.00 C ATOM 738 O GLU A 51 0.722 -8.057 9.034 1.00 0.00 O ATOM 739 CB GLU A 51 -2.053 -6.491 9.126 1.00 0.00 C ATOM 740 CG GLU A 51 -1.737 -5.538 10.273 1.00 0.00 C ATOM 741 CD GLU A 51 -2.893 -5.358 11.257 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.098 -6.282 12.072 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.519 -4.277 11.233 1.00 0.00 O ATOM 0 H GLU A 51 -1.954 -8.223 7.457 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.812 -5.559 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.968 -6.170 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.239 -7.489 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.866 -5.909 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.466 -4.565 9.862 1.00 0.00 H new ATOM 750 N VAL A 52 1.309 -5.892 8.882 1.00 0.00 N ATOM 751 CA VAL A 52 2.598 -5.969 9.525 1.00 0.00 C ATOM 752 C VAL A 52 2.382 -5.483 10.951 1.00 0.00 C ATOM 753 O VAL A 52 2.067 -4.312 11.165 1.00 0.00 O ATOM 754 CB VAL A 52 3.572 -5.085 8.731 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.795 -4.681 9.545 1.00 0.00 C ATOM 756 CG2 VAL A 52 4.031 -5.817 7.478 1.00 0.00 C ATOM 0 H VAL A 52 1.100 -4.952 8.545 1.00 0.00 H new ATOM 0 HA VAL A 52 3.023 -6.972 9.552 1.00 0.00 H new ATOM 0 HB VAL A 52 3.031 -4.175 8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.449 -4.058 8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.478 -4.121 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.335 -5.575 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.721 -5.185 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.534 -6.742 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.167 -6.049 6.855 1.00 0.00 H new ATOM 766 N GLU A 53 2.549 -6.384 11.921 1.00 0.00 N ATOM 767 CA GLU A 53 2.362 -6.135 13.337 1.00 0.00 C ATOM 768 C GLU A 53 3.485 -5.304 13.983 1.00 0.00 C ATOM 769 O GLU A 53 4.024 -5.649 15.033 1.00 0.00 O ATOM 770 CB GLU A 53 2.128 -7.479 14.027 1.00 0.00 C ATOM 771 CG GLU A 53 3.222 -8.547 13.846 1.00 0.00 C ATOM 772 CD GLU A 53 2.832 -9.842 14.545 1.00 0.00 C ATOM 773 OE1 GLU A 53 2.893 -9.858 15.793 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.464 -10.789 13.820 1.00 0.00 O ATOM 0 H GLU A 53 2.830 -7.345 11.725 1.00 0.00 H new ATOM 0 HA GLU A 53 1.486 -5.500 13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.003 -7.297 15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.187 -7.890 13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.381 -8.735 12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.166 -8.180 14.250 1.00 0.00 H new ATOM 781 N GLU A 54 3.776 -4.169 13.359 1.00 0.00 N ATOM 782 CA GLU A 54 4.414 -3.012 13.953 1.00 0.00 C ATOM 783 C GLU A 54 3.338 -1.931 14.135 1.00 0.00 C ATOM 784 O GLU A 54 3.642 -0.757 13.818 1.00 0.00 O ATOM 785 CB GLU A 54 5.538 -2.509 13.036 1.00 0.00 C ATOM 786 CG GLU A 54 6.535 -3.601 12.629 1.00 0.00 C ATOM 787 CD GLU A 54 7.856 -2.992 12.180 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.783 -1.912 11.547 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.910 -3.585 12.482 1.00 0.00 O ATOM 790 OXT GLU A 54 2.211 -2.299 14.541 1.00 0.00 O ATOM 0 H GLU A 54 3.560 -4.029 12.372 1.00 0.00 H new ATOM 0 HA GLU A 54 4.857 -3.264 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.097 -2.079 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.077 -1.708 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.707 -4.273 13.470 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.114 -4.201 11.822 1.00 0.00 H new