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 171:sc= 0.634 USER MOD Set 1.2: A 7 THR OG1 : rot -51:sc= 0.339 USER MOD Set 1.3: A 9 CYS SG : rot 175:sc= 0.585 USER MOD Set 1.4: A 39 CYS SG : rot 110:sc= 0.515 USER MOD Set 1.5: A 42 CYS SG : rot -173:sc= -0.595 USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= 0.00521 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.19 (180deg=0.975) USER MOD Single : A 4 TYR OH : rot -92:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -7:sc= 1.12 USER MOD Single : A 14 ASN : amide:sc= -0.646 K(o=-0.65,f=-7!) USER MOD Single : A 22 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 2.29 (180deg=1.67) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -2.279 0.080 10.873 1.00 0.00 N ATOM 21 CA LYS A 2 -1.014 -0.635 10.879 1.00 0.00 C ATOM 22 C LYS A 2 -0.424 -0.812 9.485 1.00 0.00 C ATOM 23 O LYS A 2 -1.065 -0.556 8.470 1.00 0.00 O ATOM 24 CB LYS A 2 -1.134 -1.983 11.571 1.00 0.00 C ATOM 25 CG LYS A 2 -1.962 -1.868 12.844 1.00 0.00 C ATOM 26 CD LYS A 2 -1.647 -3.079 13.710 1.00 0.00 C ATOM 27 CE LYS A 2 -2.917 -3.528 14.427 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.654 -4.733 15.229 1.00 0.00 N ATOM 0 HA LYS A 2 -0.325 -0.009 11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.596 -2.703 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.141 -2.363 11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.723 -0.946 13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.025 -1.833 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.257 -3.890 13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.874 -2.830 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.281 -2.727 15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.701 -3.733 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.435 -4.881 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.576 -5.558 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.764 -4.613 15.754 1.00 0.00 H new ATOM 42 N LYS A 3 0.839 -1.221 9.456 1.00 0.00 N ATOM 43 CA LYS A 3 1.581 -1.372 8.229 1.00 0.00 C ATOM 44 C LYS A 3 1.143 -2.643 7.520 1.00 0.00 C ATOM 45 O LYS A 3 0.443 -3.472 8.099 1.00 0.00 O ATOM 46 CB LYS A 3 3.073 -1.330 8.558 1.00 0.00 C ATOM 47 CG LYS A 3 3.393 0.000 9.248 1.00 0.00 C ATOM 48 CD LYS A 3 4.894 0.116 9.541 1.00 0.00 C ATOM 49 CE LYS A 3 5.149 1.187 10.612 1.00 0.00 C ATOM 50 NZ LYS A 3 6.585 1.334 10.910 1.00 0.00 N ATOM 0 H LYS A 3 1.372 -1.456 10.293 1.00 0.00 H new ATOM 0 HA LYS A 3 1.380 -0.556 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.339 -2.165 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.663 -1.433 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.077 0.829 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.830 0.077 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.280 -0.845 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.431 0.371 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.749 2.142 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.614 0.923 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.728 2.154 11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.931 0.475 11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.111 1.477 10.024 1.00 0.00 H new ATOM 64 N TYR A 4 1.556 -2.789 6.264 1.00 0.00 N ATOM 65 CA TYR A 4 1.189 -3.938 5.440 1.00 0.00 C ATOM 66 C TYR A 4 2.284 -4.303 4.444 1.00 0.00 C ATOM 67 O TYR A 4 2.797 -3.419 3.763 1.00 0.00 O ATOM 68 CB TYR A 4 -0.081 -3.641 4.636 1.00 0.00 C ATOM 69 CG TYR A 4 -1.375 -3.736 5.411 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.851 -2.655 6.170 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.100 -4.935 5.384 1.00 0.00 C ATOM 72 CE1 TYR A 4 -2.993 -2.813 6.970 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.192 -5.121 6.251 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.591 -4.077 7.104 1.00 0.00 C ATOM 75 OH TYR A 4 -4.625 -4.258 7.973 1.00 0.00 O ATOM 0 H TYR A 4 2.155 -2.114 5.788 1.00 0.00 H new ATOM 0 HA TYR A 4 1.031 -4.769 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.000 -2.637 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.129 -4.333 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.340 -1.704 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.820 -5.718 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.413 -1.961 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.722 -6.062 6.261 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.275 -4.542 8.843 1.00 0.00 H new ATOM 85 N THR A 5 2.589 -5.595 4.299 1.00 0.00 N ATOM 86 CA THR A 5 3.464 -6.078 3.227 1.00 0.00 C ATOM 87 C THR A 5 2.729 -6.090 1.874 1.00 0.00 C ATOM 88 O THR A 5 1.588 -6.553 1.811 1.00 0.00 O ATOM 89 CB THR A 5 3.973 -7.478 3.602 1.00 0.00 C ATOM 90 OG1 THR A 5 4.478 -7.449 4.921 1.00 0.00 O ATOM 91 CG2 THR A 5 5.084 -7.967 2.668 1.00 0.00 C ATOM 0 H THR A 5 2.240 -6.330 4.915 1.00 0.00 H new ATOM 0 HA THR A 5 4.313 -5.404 3.116 1.00 0.00 H new ATOM 0 HB THR A 5 3.131 -8.164 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.803 -8.340 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.408 -8.961 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.708 -8.009 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.928 -7.279 2.715 1.00 0.00 H new ATOM 99 N CYS A 6 3.371 -5.603 0.799 1.00 0.00 N ATOM 100 CA CYS A 6 2.864 -5.735 -0.567 1.00 0.00 C ATOM 101 C CYS A 6 2.925 -7.201 -1.015 1.00 0.00 C ATOM 102 O CYS A 6 3.885 -7.915 -0.727 1.00 0.00 O ATOM 103 CB CYS A 6 3.609 -4.830 -1.527 1.00 0.00 C ATOM 104 SG CYS A 6 3.107 -5.097 -3.269 1.00 0.00 S ATOM 0 H CYS A 6 4.259 -5.106 0.859 1.00 0.00 H new ATOM 0 HA CYS A 6 1.822 -5.417 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.429 -3.790 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.681 -5.005 -1.429 1.00 0.00 H new ATOM 0 HG CYS A 6 3.623 -4.167 -4.017 1.00 0.00 H new ATOM 109 N THR A 7 1.872 -7.602 -1.730 1.00 0.00 N ATOM 110 CA THR A 7 1.548 -8.924 -2.245 1.00 0.00 C ATOM 111 C THR A 7 2.759 -9.841 -2.482 1.00 0.00 C ATOM 112 O THR A 7 3.045 -10.725 -1.678 1.00 0.00 O ATOM 113 CB THR A 7 0.722 -8.731 -3.530 1.00 0.00 C ATOM 114 OG1 THR A 7 1.452 -7.969 -4.478 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.609 -8.015 -3.266 1.00 0.00 C ATOM 0 H THR A 7 1.149 -6.930 -1.988 1.00 0.00 H new ATOM 0 HA THR A 7 0.977 -9.451 -1.480 1.00 0.00 H new ATOM 0 HB THR A 7 0.513 -9.729 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.785 -7.151 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.154 -7.903 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.205 -8.602 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.414 -7.031 -2.840 1.00 0.00 H new ATOM 123 N VAL A 8 3.422 -9.677 -3.629 1.00 0.00 N ATOM 124 CA VAL A 8 4.496 -10.538 -4.114 1.00 0.00 C ATOM 125 C VAL A 8 5.702 -9.665 -4.454 1.00 0.00 C ATOM 126 O VAL A 8 6.205 -9.677 -5.577 1.00 0.00 O ATOM 127 CB VAL A 8 3.999 -11.385 -5.303 1.00 0.00 C ATOM 128 CG1 VAL A 8 3.075 -12.502 -4.803 1.00 0.00 C ATOM 129 CG2 VAL A 8 3.259 -10.562 -6.371 1.00 0.00 C ATOM 0 H VAL A 8 3.215 -8.910 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 8 4.807 -11.248 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 8 4.890 -11.801 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.729 -13.095 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.621 -13.143 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.217 -12.064 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.937 -11.220 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.388 -10.084 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.927 -9.799 -6.770 1.00 0.00 H new ATOM 139 N CYS A 9 6.133 -8.879 -3.468 1.00 0.00 N ATOM 140 CA CYS A 9 6.979 -7.720 -3.687 1.00 0.00 C ATOM 141 C CYS A 9 8.015 -7.632 -2.567 1.00 0.00 C ATOM 142 O CYS A 9 9.165 -8.026 -2.760 1.00 0.00 O ATOM 143 CB CYS A 9 6.045 -6.545 -3.755 1.00 0.00 C ATOM 144 SG CYS A 9 6.878 -4.947 -3.871 1.00 0.00 S ATOM 0 H CYS A 9 5.899 -9.036 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 9 7.558 -7.765 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.390 -6.665 -4.618 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.409 -6.548 -2.869 1.00 0.00 H new ATOM 0 HG CYS A 9 5.994 -4.008 -4.037 1.00 0.00 H new ATOM 149 N GLY A 10 7.611 -7.148 -1.389 1.00 0.00 N ATOM 150 CA GLY A 10 8.500 -6.948 -0.255 1.00 0.00 C ATOM 151 C GLY A 10 8.327 -5.558 0.347 1.00 0.00 C ATOM 152 O GLY A 10 8.478 -5.400 1.559 1.00 0.00 O ATOM 0 H GLY A 10 6.644 -6.883 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.299 -7.703 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.534 -7.083 -0.573 1.00 0.00 H new ATOM 156 N TYR A 11 8.017 -4.544 -0.472 1.00 0.00 N ATOM 157 CA TYR A 11 7.777 -3.202 0.044 1.00 0.00 C ATOM 158 C TYR A 11 6.649 -3.232 1.083 1.00 0.00 C ATOM 159 O TYR A 11 5.668 -3.963 0.932 1.00 0.00 O ATOM 160 CB TYR A 11 7.503 -2.203 -1.094 1.00 0.00 C ATOM 161 CG TYR A 11 8.761 -1.639 -1.728 1.00 0.00 C ATOM 162 CD1 TYR A 11 9.346 -0.471 -1.202 1.00 0.00 C ATOM 163 CD2 TYR A 11 9.364 -2.286 -2.822 1.00 0.00 C ATOM 164 CE1 TYR A 11 10.523 0.047 -1.770 1.00 0.00 C ATOM 165 CE2 TYR A 11 10.538 -1.765 -3.392 1.00 0.00 C ATOM 166 CZ TYR A 11 11.111 -0.593 -2.872 1.00 0.00 C ATOM 167 OH TYR A 11 12.258 -0.092 -3.412 1.00 0.00 O ATOM 0 H TYR A 11 7.929 -4.632 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 11 8.679 -2.851 0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.909 -2.696 -1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.902 -1.380 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.889 0.028 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.923 -3.186 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.975 0.937 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.000 -2.266 -4.230 1.00 0.00 H new ATOM 0 HH TYR A 11 12.536 -0.652 -4.167 1.00 0.00 H new ATOM 177 N ILE A 12 6.821 -2.461 2.163 1.00 0.00 N ATOM 178 CA ILE A 12 5.850 -2.334 3.238 1.00 0.00 C ATOM 179 C ILE A 12 5.178 -0.973 3.117 1.00 0.00 C ATOM 180 O ILE A 12 5.839 0.061 3.196 1.00 0.00 O ATOM 181 CB ILE A 12 6.512 -2.575 4.613 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.629 -4.102 4.784 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.697 -1.948 5.764 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.490 -4.544 5.968 1.00 0.00 C ATOM 0 H ILE A 12 7.659 -1.899 2.310 1.00 0.00 H new ATOM 0 HA ILE A 12 5.079 -3.100 3.154 1.00 0.00 H new ATOM 0 HB ILE A 12 7.491 -2.098 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.629 -4.519 4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.045 -4.526 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.198 -2.141 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.617 -0.872 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.700 -2.387 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.517 -5.633 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.503 -4.161 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.065 -4.154 6.893 1.00 0.00 H new ATOM 196 N TYR A 13 3.859 -0.985 2.943 1.00 0.00 N ATOM 197 CA TYR A 13 3.031 0.200 3.023 1.00 0.00 C ATOM 198 C TYR A 13 2.934 0.618 4.488 1.00 0.00 C ATOM 199 O TYR A 13 2.743 -0.236 5.360 1.00 0.00 O ATOM 200 CB TYR A 13 1.645 -0.142 2.480 1.00 0.00 C ATOM 201 CG TYR A 13 0.651 0.997 2.567 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.075 1.212 3.749 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.496 1.878 1.486 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.937 2.313 3.852 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.212 3.082 1.669 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.930 3.306 2.858 1.00 0.00 C ATOM 207 OH TYR A 13 -1.766 4.382 2.958 1.00 0.00 O ATOM 0 H TYR A 13 3.334 -1.835 2.740 1.00 0.00 H new ATOM 0 HA TYR A 13 3.455 1.017 2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.740 -0.449 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.251 -0.997 3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.030 0.529 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.916 1.635 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.606 2.398 4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.204 3.835 0.895 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.380 4.250 3.710 1.00 0.00 H new ATOM 217 N ASN A 14 3.020 1.926 4.749 1.00 0.00 N ATOM 218 CA ASN A 14 2.861 2.505 6.074 1.00 0.00 C ATOM 219 C ASN A 14 1.762 3.560 6.042 1.00 0.00 C ATOM 220 O ASN A 14 1.943 4.597 5.412 1.00 0.00 O ATOM 221 CB ASN A 14 4.191 3.105 6.537 1.00 0.00 C ATOM 222 CG ASN A 14 4.115 3.596 7.975 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.115 3.419 8.664 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.194 4.170 8.475 1.00 0.00 N ATOM 0 H ASN A 14 3.206 2.621 4.026 1.00 0.00 H new ATOM 0 HA ASN A 14 2.571 1.731 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.978 2.357 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.464 3.933 5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.205 4.474 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.016 4.309 7.888 1.00 0.00 H new ATOM 231 N PRO A 15 0.616 3.337 6.700 1.00 0.00 N ATOM 232 CA PRO A 15 -0.510 4.241 6.572 1.00 0.00 C ATOM 233 C PRO A 15 -0.191 5.623 7.093 1.00 0.00 C ATOM 234 O PRO A 15 -0.590 6.600 6.474 1.00 0.00 O ATOM 235 CB PRO A 15 -1.682 3.618 7.323 1.00 0.00 C ATOM 236 CG PRO A 15 -1.042 2.562 8.219 1.00 0.00 C ATOM 237 CD PRO A 15 0.339 2.261 7.635 1.00 0.00 C ATOM 0 HA PRO A 15 -0.759 4.375 5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.219 4.363 7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.402 3.173 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.957 2.925 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.653 1.660 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.095 2.220 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.349 1.294 7.132 1.00 0.00 H new ATOM 245 N GLU A 16 0.545 5.714 8.197 1.00 0.00 N ATOM 246 CA GLU A 16 0.896 6.991 8.781 1.00 0.00 C ATOM 247 C GLU A 16 1.676 7.857 7.790 1.00 0.00 C ATOM 248 O GLU A 16 1.538 9.078 7.792 1.00 0.00 O ATOM 249 CB GLU A 16 1.673 6.733 10.066 1.00 0.00 C ATOM 250 CG GLU A 16 0.793 5.972 11.071 1.00 0.00 C ATOM 251 CD GLU A 16 1.325 6.076 12.492 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.489 5.670 12.690 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.552 6.552 13.350 1.00 0.00 O ATOM 0 H GLU A 16 0.909 4.907 8.704 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.006 7.554 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.571 6.156 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.999 7.679 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.222 6.367 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.737 4.923 10.781 1.00 0.00 H new ATOM 260 N ASP A 17 2.450 7.205 6.921 1.00 0.00 N ATOM 261 CA ASP A 17 3.224 7.868 5.879 1.00 0.00 C ATOM 262 C ASP A 17 2.367 8.036 4.621 1.00 0.00 C ATOM 263 O ASP A 17 2.530 8.994 3.867 1.00 0.00 O ATOM 264 CB ASP A 17 4.461 7.027 5.549 1.00 0.00 C ATOM 265 CG ASP A 17 5.495 6.925 6.665 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.613 7.891 7.447 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.158 5.863 6.721 1.00 0.00 O ATOM 0 H ASP A 17 2.556 6.191 6.924 1.00 0.00 H new ATOM 0 HA ASP A 17 3.535 8.851 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.136 6.021 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.943 7.449 4.667 1.00 0.00 H new ATOM 272 N GLY A 18 1.455 7.091 4.385 1.00 0.00 N ATOM 273 CA GLY A 18 0.754 6.948 3.131 1.00 0.00 C ATOM 274 C GLY A 18 1.725 6.594 2.004 1.00 0.00 C ATOM 275 O GLY A 18 2.830 6.118 2.248 1.00 0.00 O ATOM 0 H GLY A 18 1.186 6.396 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.006 6.171 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.234 7.876 2.892 1.00 0.00 H new ATOM 279 N ASP A 19 1.298 6.858 0.769 1.00 0.00 N ATOM 280 CA ASP A 19 2.104 6.777 -0.441 1.00 0.00 C ATOM 281 C ASP A 19 1.719 7.964 -1.342 1.00 0.00 C ATOM 282 O ASP A 19 1.205 7.782 -2.453 1.00 0.00 O ATOM 283 CB ASP A 19 1.891 5.398 -1.107 1.00 0.00 C ATOM 284 CG ASP A 19 3.088 4.477 -0.930 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.183 4.899 -1.360 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.874 3.354 -0.426 1.00 0.00 O ATOM 0 H ASP A 19 0.338 7.147 0.581 1.00 0.00 H new ATOM 0 HA ASP A 19 3.171 6.851 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.006 4.925 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.697 5.537 -2.171 1.00 0.00 H new ATOM 291 N PRO A 20 1.919 9.210 -0.877 1.00 0.00 N ATOM 292 CA PRO A 20 1.412 10.388 -1.562 1.00 0.00 C ATOM 293 C PRO A 20 2.031 10.533 -2.948 1.00 0.00 C ATOM 294 O PRO A 20 1.370 11.023 -3.861 1.00 0.00 O ATOM 295 CB PRO A 20 1.727 11.584 -0.661 1.00 0.00 C ATOM 296 CG PRO A 20 2.849 11.081 0.248 1.00 0.00 C ATOM 297 CD PRO A 20 2.577 9.582 0.365 1.00 0.00 C ATOM 0 HA PRO A 20 0.338 10.314 -1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.044 12.449 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.854 11.890 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.831 11.277 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.824 11.570 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.504 9.024 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.944 9.364 1.225 1.00 0.00 H new ATOM 305 N ASP A 21 3.269 10.061 -3.124 1.00 0.00 N ATOM 306 CA ASP A 21 3.981 10.109 -4.385 1.00 0.00 C ATOM 307 C ASP A 21 3.229 9.315 -5.451 1.00 0.00 C ATOM 308 O ASP A 21 3.301 9.623 -6.639 1.00 0.00 O ATOM 309 CB ASP A 21 5.379 9.532 -4.148 1.00 0.00 C ATOM 310 CG ASP A 21 6.180 10.394 -3.186 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.901 10.275 -1.974 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.029 11.169 -3.679 1.00 0.00 O ATOM 0 H ASP A 21 3.807 9.628 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 21 4.059 11.135 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.294 8.521 -3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.909 9.456 -5.098 1.00 0.00 H new ATOM 317 N ASN A 22 2.503 8.284 -5.013 1.00 0.00 N ATOM 318 CA ASN A 22 1.730 7.384 -5.855 1.00 0.00 C ATOM 319 C ASN A 22 0.270 7.815 -5.905 1.00 0.00 C ATOM 320 O ASN A 22 -0.419 7.564 -6.890 1.00 0.00 O ATOM 321 CB ASN A 22 1.844 5.958 -5.314 1.00 0.00 C ATOM 322 CG ASN A 22 3.292 5.515 -5.150 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.870 4.917 -6.051 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.871 5.801 -3.988 1.00 0.00 N ATOM 0 H ASN A 22 2.439 8.049 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 22 2.128 7.419 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.336 5.895 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.331 5.273 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.837 5.521 -3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.350 6.301 -3.268 1.00 0.00 H new ATOM 331 N GLY A 23 -0.192 8.465 -4.836 1.00 0.00 N ATOM 332 CA GLY A 23 -1.481 9.137 -4.779 1.00 0.00 C ATOM 333 C GLY A 23 -2.269 8.848 -3.498 1.00 0.00 C ATOM 334 O GLY A 23 -3.457 9.154 -3.431 1.00 0.00 O ATOM 0 H GLY A 23 0.337 8.538 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.324 10.212 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.078 8.833 -5.639 1.00 0.00 H new ATOM 338 N VAL A 24 -1.635 8.260 -2.480 1.00 0.00 N ATOM 339 CA VAL A 24 -2.284 7.849 -1.242 1.00 0.00 C ATOM 340 C VAL A 24 -1.805 8.763 -0.119 1.00 0.00 C ATOM 341 O VAL A 24 -0.644 8.724 0.270 1.00 0.00 O ATOM 342 CB VAL A 24 -1.941 6.378 -0.991 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.375 5.914 0.395 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.628 5.491 -2.034 1.00 0.00 C ATOM 0 H VAL A 24 -0.636 8.054 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.369 7.936 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.857 6.290 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.111 4.865 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.871 6.513 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.454 6.032 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.377 4.447 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.708 5.622 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.288 5.772 -3.031 1.00 0.00 H new ATOM 354 N ASN A 25 -2.689 9.610 0.399 1.00 0.00 N ATOM 355 CA ASN A 25 -2.336 10.576 1.432 1.00 0.00 C ATOM 356 C ASN A 25 -1.913 9.867 2.726 1.00 0.00 C ATOM 357 O ASN A 25 -2.336 8.735 2.967 1.00 0.00 O ATOM 358 CB ASN A 25 -3.534 11.500 1.686 1.00 0.00 C ATOM 359 CG ASN A 25 -3.592 12.642 0.677 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.323 13.789 1.017 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.928 12.349 -0.577 1.00 0.00 N ATOM 0 H ASN A 25 -3.668 9.646 0.115 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.487 11.169 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.457 10.922 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.470 11.909 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.966 13.087 -1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.147 11.387 -0.835 1.00 0.00 H new ATOM 368 N PRO A 26 -1.105 10.510 3.583 1.00 0.00 N ATOM 369 CA PRO A 26 -0.822 9.975 4.900 1.00 0.00 C ATOM 370 C PRO A 26 -2.104 9.814 5.710 1.00 0.00 C ATOM 371 O PRO A 26 -3.079 10.542 5.527 1.00 0.00 O ATOM 372 CB PRO A 26 0.167 10.931 5.565 1.00 0.00 C ATOM 373 CG PRO A 26 0.057 12.222 4.758 1.00 0.00 C ATOM 374 CD PRO A 26 -0.448 11.788 3.381 1.00 0.00 C ATOM 0 HA PRO A 26 -0.386 8.978 4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.085 11.096 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.181 10.533 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.632 12.923 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.022 12.724 4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.140 12.522 2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.376 11.696 2.674 1.00 0.00 H new ATOM 382 N GLY A 27 -2.088 8.819 6.590 1.00 0.00 N ATOM 383 CA GLY A 27 -3.214 8.406 7.401 1.00 0.00 C ATOM 384 C GLY A 27 -4.271 7.651 6.605 1.00 0.00 C ATOM 385 O GLY A 27 -5.377 7.483 7.114 1.00 0.00 O ATOM 0 H GLY A 27 -1.253 8.259 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.857 7.773 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.669 9.285 7.857 1.00 0.00 H new ATOM 389 N THR A 28 -3.970 7.162 5.393 1.00 0.00 N ATOM 390 CA THR A 28 -4.945 6.400 4.651 1.00 0.00 C ATOM 391 C THR A 28 -4.795 4.951 5.071 1.00 0.00 C ATOM 392 O THR A 28 -3.735 4.352 4.877 1.00 0.00 O ATOM 393 CB THR A 28 -4.707 6.578 3.152 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.888 7.926 2.778 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.703 5.746 2.362 1.00 0.00 C ATOM 0 H THR A 28 -3.072 7.285 4.925 1.00 0.00 H new ATOM 0 HA THR A 28 -5.960 6.739 4.858 1.00 0.00 H new ATOM 0 HB THR A 28 -3.686 6.261 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.017 8.373 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.524 5.880 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.584 4.694 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.717 6.066 2.603 1.00 0.00 H new ATOM 403 N ASP A 29 -5.863 4.387 5.631 1.00 0.00 N ATOM 404 CA ASP A 29 -5.907 2.975 5.933 1.00 0.00 C ATOM 405 C ASP A 29 -5.756 2.199 4.638 1.00 0.00 C ATOM 406 O ASP A 29 -6.398 2.530 3.644 1.00 0.00 O ATOM 407 CB ASP A 29 -7.238 2.621 6.589 1.00 0.00 C ATOM 408 CG ASP A 29 -7.157 1.303 7.330 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.370 0.432 6.897 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.755 1.183 8.424 1.00 0.00 O ATOM 0 H ASP A 29 -6.710 4.897 5.883 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.100 2.721 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.526 3.412 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.017 2.565 5.828 1.00 0.00 H new ATOM 415 N PHE A 30 -4.961 1.135 4.665 1.00 0.00 N ATOM 416 CA PHE A 30 -4.835 0.205 3.558 1.00 0.00 C ATOM 417 C PHE A 30 -6.199 -0.194 2.997 1.00 0.00 C ATOM 418 O PHE A 30 -6.356 -0.387 1.788 1.00 0.00 O ATOM 419 CB PHE A 30 -4.078 -1.038 4.028 1.00 0.00 C ATOM 420 CG PHE A 30 -3.316 -1.703 2.909 1.00 0.00 C ATOM 421 CD1 PHE A 30 -3.993 -2.337 1.852 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.929 -1.510 2.829 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.288 -2.696 0.693 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.211 -2.000 1.732 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.894 -2.574 0.661 1.00 0.00 C ATOM 0 H PHE A 30 -4.380 0.895 5.468 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.283 0.698 2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.384 -0.760 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.784 -1.750 4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.049 -2.546 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.413 -0.981 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.819 -3.065 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.133 -1.934 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.344 -2.927 -0.199 1.00 0.00 H new ATOM 435 N LYS A 31 -7.213 -0.325 3.857 1.00 0.00 N ATOM 436 CA LYS A 31 -8.512 -0.710 3.334 1.00 0.00 C ATOM 437 C LYS A 31 -9.094 0.420 2.478 1.00 0.00 C ATOM 438 O LYS A 31 -9.660 0.162 1.419 1.00 0.00 O ATOM 439 CB LYS A 31 -9.427 -1.194 4.453 1.00 0.00 C ATOM 440 CG LYS A 31 -9.848 -0.006 5.300 1.00 0.00 C ATOM 441 CD LYS A 31 -10.535 -0.473 6.570 1.00 0.00 C ATOM 442 CE LYS A 31 -11.007 0.778 7.321 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.527 0.454 8.659 1.00 0.00 N ATOM 0 H LYS A 31 -7.162 -0.178 4.865 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.405 -1.565 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.304 -1.687 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.911 -1.931 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.975 0.595 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.522 0.634 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.379 -1.121 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.849 -1.055 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.178 1.479 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.783 1.278 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.835 1.327 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.335 -0.195 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.779 0.001 9.222 1.00 0.00 H new ATOM 457 N ASP A 32 -8.897 1.663 2.927 1.00 0.00 N ATOM 458 CA ASP A 32 -9.446 2.865 2.326 1.00 0.00 C ATOM 459 C ASP A 32 -8.715 3.183 1.021 1.00 0.00 C ATOM 460 O ASP A 32 -9.251 3.910 0.185 1.00 0.00 O ATOM 461 CB ASP A 32 -9.332 4.057 3.294 1.00 0.00 C ATOM 462 CG ASP A 32 -10.055 3.907 4.631 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.874 2.973 4.773 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.745 4.728 5.520 1.00 0.00 O ATOM 0 H ASP A 32 -8.328 1.859 3.751 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.500 2.690 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.276 4.238 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.718 4.945 2.793 1.00 0.00 H new ATOM 469 N ILE A 33 -7.491 2.667 0.828 1.00 0.00 N ATOM 470 CA ILE A 33 -6.752 2.850 -0.401 1.00 0.00 C ATOM 471 C ILE A 33 -7.630 2.412 -1.572 1.00 0.00 C ATOM 472 O ILE A 33 -8.208 1.325 -1.509 1.00 0.00 O ATOM 473 CB ILE A 33 -5.490 1.998 -0.342 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.585 2.481 0.781 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.684 2.018 -1.620 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.213 1.812 0.773 1.00 0.00 C ATOM 0 H ILE A 33 -6.998 2.113 1.528 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.475 3.896 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.834 0.977 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.457 3.560 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.070 2.290 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.801 1.390 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.293 1.639 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.375 3.040 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.615 2.199 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.333 0.735 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.710 2.024 -0.171 1.00 0.00 H new ATOM 488 N PRO A 34 -7.702 3.203 -2.647 1.00 0.00 N ATOM 489 CA PRO A 34 -8.484 2.850 -3.808 1.00 0.00 C ATOM 490 C PRO A 34 -7.880 1.622 -4.479 1.00 0.00 C ATOM 491 O PRO A 34 -6.667 1.527 -4.632 1.00 0.00 O ATOM 492 CB PRO A 34 -8.447 4.065 -4.735 1.00 0.00 C ATOM 493 CG PRO A 34 -7.361 4.997 -4.178 1.00 0.00 C ATOM 494 CD PRO A 34 -6.880 4.373 -2.867 1.00 0.00 C ATOM 0 HA PRO A 34 -9.513 2.600 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.217 3.767 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.415 4.566 -4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.537 5.098 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.759 5.997 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.826 4.101 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.979 5.078 -2.042 1.00 0.00 H new ATOM 502 N ASP A 35 -8.726 0.705 -4.939 1.00 0.00 N ATOM 503 CA ASP A 35 -8.313 -0.491 -5.644 1.00 0.00 C ATOM 504 C ASP A 35 -7.717 -0.157 -7.022 1.00 0.00 C ATOM 505 O ASP A 35 -7.118 -1.016 -7.663 1.00 0.00 O ATOM 506 CB ASP A 35 -9.531 -1.417 -5.691 1.00 0.00 C ATOM 507 CG ASP A 35 -9.645 -2.327 -4.465 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.222 -1.901 -3.363 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.176 -3.442 -4.648 1.00 0.00 O ATOM 0 H ASP A 35 -9.737 0.780 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.501 -1.004 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.435 -0.814 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.477 -2.033 -6.589 1.00 0.00 H new ATOM 514 N ASP A 36 -7.832 1.105 -7.450 1.00 0.00 N ATOM 515 CA ASP A 36 -7.146 1.654 -8.611 1.00 0.00 C ATOM 516 C ASP A 36 -5.650 1.869 -8.348 1.00 0.00 C ATOM 517 O ASP A 36 -4.853 1.963 -9.279 1.00 0.00 O ATOM 518 CB ASP A 36 -7.835 2.944 -9.056 1.00 0.00 C ATOM 519 CG ASP A 36 -8.460 2.838 -10.442 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.710 3.019 -11.423 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.685 2.596 -10.489 1.00 0.00 O ATOM 0 H ASP A 36 -8.425 1.789 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.210 0.928 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.609 3.204 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.109 3.757 -9.052 1.00 0.00 H new ATOM 526 N TRP A 37 -5.260 1.996 -7.076 1.00 0.00 N ATOM 527 CA TRP A 37 -3.877 2.243 -6.699 1.00 0.00 C ATOM 528 C TRP A 37 -3.019 1.008 -6.975 1.00 0.00 C ATOM 529 O TRP A 37 -3.502 -0.122 -6.949 1.00 0.00 O ATOM 530 CB TRP A 37 -3.802 2.640 -5.223 1.00 0.00 C ATOM 531 CG TRP A 37 -2.432 2.798 -4.639 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.633 3.885 -4.711 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.680 1.803 -3.889 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.483 3.655 -3.979 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.456 2.381 -3.452 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.919 0.460 -3.548 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.471 1.673 -2.673 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -0.995 -0.268 -2.773 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.192 0.340 -2.326 1.00 0.00 C ATOM 0 H TRP A 37 -5.899 1.929 -6.284 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.487 3.065 -7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.337 3.581 -5.096 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.336 1.889 -4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.857 4.791 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.256 4.345 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.825 -0.021 -3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.385 2.145 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.199 -1.298 -2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.888 -0.217 -1.717 1.00 0.00 H new ATOM 550 N VAL A 38 -1.729 1.246 -7.217 1.00 0.00 N ATOM 551 CA VAL A 38 -0.737 0.225 -7.525 1.00 0.00 C ATOM 552 C VAL A 38 0.500 0.455 -6.648 1.00 0.00 C ATOM 553 O VAL A 38 0.752 1.579 -6.214 1.00 0.00 O ATOM 554 CB VAL A 38 -0.430 0.260 -9.034 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.673 -0.732 -9.418 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.685 -0.103 -9.840 1.00 0.00 C ATOM 0 H VAL A 38 -1.337 2.188 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.109 -0.775 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.098 1.273 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.857 -0.674 -10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.588 -0.486 -8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.360 -1.743 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.454 -0.075 -10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.016 -1.105 -9.567 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.478 0.613 -9.621 1.00 0.00 H new ATOM 566 N CYS A 39 1.240 -0.620 -6.364 1.00 0.00 N ATOM 567 CA CYS A 39 2.419 -0.608 -5.510 1.00 0.00 C ATOM 568 C CYS A 39 3.571 0.150 -6.195 1.00 0.00 C ATOM 569 O CYS A 39 3.748 0.025 -7.411 1.00 0.00 O ATOM 570 CB CYS A 39 2.772 -2.044 -5.198 1.00 0.00 C ATOM 571 SG CYS A 39 4.365 -2.217 -4.345 1.00 0.00 S ATOM 0 H CYS A 39 1.025 -1.546 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 39 2.224 -0.080 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.987 -2.479 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.800 -2.615 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 39 4.161 -2.583 -3.114 1.00 0.00 H new ATOM 576 N PRO A 40 4.357 0.952 -5.455 1.00 0.00 N ATOM 577 CA PRO A 40 5.518 1.631 -6.003 1.00 0.00 C ATOM 578 C PRO A 40 6.575 0.628 -6.484 1.00 0.00 C ATOM 579 O PRO A 40 7.159 -0.099 -5.686 1.00 0.00 O ATOM 580 CB PRO A 40 6.059 2.515 -4.872 1.00 0.00 C ATOM 581 CG PRO A 40 5.544 1.846 -3.600 1.00 0.00 C ATOM 582 CD PRO A 40 4.204 1.262 -4.041 1.00 0.00 C ATOM 0 HA PRO A 40 5.254 2.226 -6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.148 2.559 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.697 3.540 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.225 1.072 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.425 2.562 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.959 0.368 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.395 1.974 -3.881 1.00 0.00 H new ATOM 590 N LEU A 41 6.882 0.659 -7.786 1.00 0.00 N ATOM 591 CA LEU A 41 7.998 -0.061 -8.399 1.00 0.00 C ATOM 592 C LEU A 41 7.742 -1.570 -8.412 1.00 0.00 C ATOM 593 O LEU A 41 8.638 -2.366 -8.133 1.00 0.00 O ATOM 594 CB LEU A 41 9.343 0.281 -7.725 1.00 0.00 C ATOM 595 CG LEU A 41 9.546 1.770 -7.400 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.949 1.971 -6.817 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.377 2.655 -8.640 1.00 0.00 C ATOM 0 H LEU A 41 6.343 1.203 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 41 8.069 0.271 -9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.425 -0.292 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.153 -0.047 -8.377 1.00 0.00 H new ATOM 0 HG LEU A 41 8.785 2.064 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.099 3.025 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.053 1.380 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.695 1.650 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.529 3.699 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.110 2.368 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.372 2.528 -9.043 1.00 0.00 H new ATOM 609 N CYS A 42 6.518 -1.957 -8.767 1.00 0.00 N ATOM 610 CA CYS A 42 6.013 -3.315 -8.685 1.00 0.00 C ATOM 611 C CYS A 42 4.918 -3.427 -9.752 1.00 0.00 C ATOM 612 O CYS A 42 4.618 -2.443 -10.431 1.00 0.00 O ATOM 613 CB CYS A 42 5.514 -3.498 -7.274 1.00 0.00 C ATOM 614 SG CYS A 42 4.831 -5.133 -6.892 1.00 0.00 S ATOM 0 H CYS A 42 5.828 -1.302 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 42 6.748 -4.096 -8.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.337 -3.298 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.747 -2.749 -7.079 1.00 0.00 H new ATOM 0 HG CYS A 42 4.315 -5.120 -5.699 1.00 0.00 H new ATOM 619 N GLY A 43 4.350 -4.621 -9.928 1.00 0.00 N ATOM 620 CA GLY A 43 3.212 -4.838 -10.804 1.00 0.00 C ATOM 621 C GLY A 43 1.919 -4.426 -10.102 1.00 0.00 C ATOM 622 O GLY A 43 1.934 -3.630 -9.165 1.00 0.00 O ATOM 0 H GLY A 43 4.674 -5.467 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.335 -4.263 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.160 -5.888 -11.091 1.00 0.00 H new ATOM 626 N VAL A 44 0.785 -4.983 -10.544 1.00 0.00 N ATOM 627 CA VAL A 44 -0.484 -4.805 -9.850 1.00 0.00 C ATOM 628 C VAL A 44 -0.316 -5.165 -8.368 1.00 0.00 C ATOM 629 O VAL A 44 0.183 -6.241 -8.045 1.00 0.00 O ATOM 630 CB VAL A 44 -1.617 -5.606 -10.524 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.037 -4.939 -11.841 1.00 0.00 C ATOM 632 CG2 VAL A 44 -1.270 -7.079 -10.796 1.00 0.00 C ATOM 0 H VAL A 44 0.727 -5.561 -11.382 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.778 -3.757 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.439 -5.601 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.837 -5.517 -12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.390 -3.927 -11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.183 -4.898 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.119 -7.571 -11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.404 -7.133 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.041 -7.579 -9.855 1.00 0.00 H new ATOM 642 N GLY A 45 -0.709 -4.247 -7.482 1.00 0.00 N ATOM 643 CA GLY A 45 -0.624 -4.397 -6.038 1.00 0.00 C ATOM 644 C GLY A 45 -2.002 -4.142 -5.438 1.00 0.00 C ATOM 645 O GLY A 45 -2.959 -3.939 -6.180 1.00 0.00 O ATOM 0 H GLY A 45 -1.107 -3.352 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.280 -5.399 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.103 -3.696 -5.627 1.00 0.00 H new ATOM 649 N LYS A 46 -2.097 -4.149 -4.104 1.00 0.00 N ATOM 650 CA LYS A 46 -3.370 -4.072 -3.394 1.00 0.00 C ATOM 651 C LYS A 46 -4.283 -5.239 -3.801 1.00 0.00 C ATOM 652 O LYS A 46 -5.235 -5.096 -4.559 1.00 0.00 O ATOM 653 CB LYS A 46 -3.974 -2.656 -3.476 1.00 0.00 C ATOM 654 CG LYS A 46 -5.506 -2.561 -3.407 1.00 0.00 C ATOM 655 CD LYS A 46 -5.988 -1.283 -2.726 1.00 0.00 C ATOM 656 CE LYS A 46 -6.008 -1.469 -1.205 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.318 -1.070 -0.636 1.00 0.00 N ATOM 0 H LYS A 46 -1.287 -4.209 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.219 -4.213 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.558 -2.060 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.645 -2.198 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.914 -2.606 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.895 -3.424 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.333 -0.453 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.986 -1.027 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.804 -2.511 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.215 -0.874 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.181 -0.701 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.745 -0.332 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.949 -1.896 -0.603 1.00 0.00 H new ATOM 671 N ASP A 47 -3.981 -6.398 -3.216 1.00 0.00 N ATOM 672 CA ASP A 47 -4.818 -7.590 -3.242 1.00 0.00 C ATOM 673 C ASP A 47 -4.490 -8.416 -1.992 1.00 0.00 C ATOM 674 O ASP A 47 -4.926 -8.055 -0.903 1.00 0.00 O ATOM 675 CB ASP A 47 -4.637 -8.328 -4.575 1.00 0.00 C ATOM 676 CG ASP A 47 -5.255 -9.713 -4.547 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.496 -9.805 -4.626 1.00 0.00 O ATOM 678 OD2 ASP A 47 -4.449 -10.653 -4.384 1.00 0.00 O ATOM 0 H ASP A 47 -3.116 -6.534 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.881 -7.354 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.091 -7.745 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.574 -8.410 -4.802 1.00 0.00 H new ATOM 683 N GLN A 48 -3.668 -9.461 -2.095 1.00 0.00 N ATOM 684 CA GLN A 48 -3.279 -10.289 -0.960 1.00 0.00 C ATOM 685 C GLN A 48 -2.228 -9.585 -0.082 1.00 0.00 C ATOM 686 O GLN A 48 -1.119 -10.088 0.082 1.00 0.00 O ATOM 687 CB GLN A 48 -2.768 -11.638 -1.490 1.00 0.00 C ATOM 688 CG GLN A 48 -2.755 -12.701 -0.381 1.00 0.00 C ATOM 689 CD GLN A 48 -1.640 -13.728 -0.561 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.249 -14.057 -1.676 1.00 0.00 O ATOM 691 NE2 GLN A 48 -1.118 -14.253 0.543 1.00 0.00 N ATOM 0 H GLN A 48 -3.251 -9.757 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.145 -10.460 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.402 -11.973 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.762 -11.516 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.639 -12.210 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.717 -13.214 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.462 -13.962 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.374 -14.947 0.475 1.00 0.00 H new ATOM 700 N PHE A 49 -2.557 -8.424 0.488 1.00 0.00 N ATOM 701 CA PHE A 49 -1.685 -7.740 1.441 1.00 0.00 C ATOM 702 C PHE A 49 -1.747 -8.443 2.804 1.00 0.00 C ATOM 703 O PHE A 49 -2.805 -8.939 3.191 1.00 0.00 O ATOM 704 CB PHE A 49 -2.060 -6.250 1.540 1.00 0.00 C ATOM 705 CG PHE A 49 -3.546 -5.959 1.688 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.178 -6.041 2.942 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.312 -5.623 0.557 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.520 -5.650 3.088 1.00 0.00 C ATOM 709 CE2 PHE A 49 -5.670 -5.289 0.690 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.266 -5.264 1.963 1.00 0.00 C ATOM 0 H PHE A 49 -3.432 -7.934 0.302 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.654 -7.789 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.536 -5.817 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.695 -5.741 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.629 -6.406 3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.853 -5.622 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.978 -5.646 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.256 -5.051 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.293 -4.949 2.075 1.00 0.00 H new ATOM 720 N GLU A 50 -0.630 -8.463 3.538 1.00 0.00 N ATOM 721 CA GLU A 50 -0.546 -9.005 4.895 1.00 0.00 C ATOM 722 C GLU A 50 -0.240 -7.862 5.857 1.00 0.00 C ATOM 723 O GLU A 50 0.535 -6.980 5.499 1.00 0.00 O ATOM 724 CB GLU A 50 0.564 -10.055 4.974 1.00 0.00 C ATOM 725 CG GLU A 50 0.166 -11.345 4.245 1.00 0.00 C ATOM 726 CD GLU A 50 1.147 -12.470 4.546 1.00 0.00 C ATOM 727 OE1 GLU A 50 0.919 -13.157 5.565 1.00 0.00 O ATOM 728 OE2 GLU A 50 2.104 -12.620 3.759 1.00 0.00 O ATOM 0 H GLU A 50 0.258 -8.095 3.197 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.492 -9.477 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.478 -9.654 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.783 -10.278 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.838 -11.643 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.134 -11.164 3.171 1.00 0.00 H new ATOM 735 N GLU A 51 -0.835 -7.860 7.055 1.00 0.00 N ATOM 736 CA GLU A 51 -0.642 -6.821 8.043 1.00 0.00 C ATOM 737 C GLU A 51 0.707 -7.037 8.727 1.00 0.00 C ATOM 738 O GLU A 51 1.083 -8.165 9.038 1.00 0.00 O ATOM 739 CB GLU A 51 -1.827 -6.849 9.025 1.00 0.00 C ATOM 740 CG GLU A 51 -1.587 -5.896 10.197 1.00 0.00 C ATOM 741 CD GLU A 51 -2.844 -5.567 10.999 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.825 -5.152 10.340 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.793 -5.683 12.249 1.00 0.00 O ATOM 0 H GLU A 51 -1.472 -8.597 7.359 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.619 -5.831 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.743 -6.568 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.971 -7.863 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.848 -6.338 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.159 -4.969 9.816 1.00 0.00 H new ATOM 750 N VAL A 52 1.431 -5.942 8.954 1.00 0.00 N ATOM 751 CA VAL A 52 2.716 -5.896 9.600 1.00 0.00 C ATOM 752 C VAL A 52 2.485 -5.377 11.022 1.00 0.00 C ATOM 753 O VAL A 52 2.262 -4.183 11.236 1.00 0.00 O ATOM 754 CB VAL A 52 3.617 -4.994 8.744 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.865 -4.576 9.510 1.00 0.00 C ATOM 756 CG2 VAL A 52 4.034 -5.699 7.460 1.00 0.00 C ATOM 0 H VAL A 52 1.107 -5.017 8.671 1.00 0.00 H new ATOM 0 HA VAL A 52 3.211 -6.864 9.684 1.00 0.00 H new ATOM 0 HB VAL A 52 3.037 -4.105 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.483 -3.938 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.575 -4.027 10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.431 -5.463 9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.671 -5.038 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.583 -6.608 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.147 -5.956 6.881 1.00 0.00 H new ATOM 766 N GLU A 53 2.541 -6.284 11.998 1.00 0.00 N ATOM 767 CA GLU A 53 2.363 -6.016 13.411 1.00 0.00 C ATOM 768 C GLU A 53 3.604 -5.378 14.052 1.00 0.00 C ATOM 769 O GLU A 53 4.151 -5.873 15.036 1.00 0.00 O ATOM 770 CB GLU A 53 1.914 -7.307 14.096 1.00 0.00 C ATOM 771 CG GLU A 53 2.854 -8.516 13.955 1.00 0.00 C ATOM 772 CD GLU A 53 2.245 -9.744 14.619 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.263 -10.261 14.046 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.756 -10.132 15.692 1.00 0.00 O ATOM 0 H GLU A 53 2.721 -7.270 11.807 1.00 0.00 H new ATOM 0 HA GLU A 53 1.584 -5.266 13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.778 -7.101 15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.938 -7.584 13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.039 -8.719 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.818 -8.290 14.410 1.00 0.00 H new ATOM 781 N GLU A 54 4.000 -4.236 13.499 1.00 0.00 N ATOM 782 CA GLU A 54 4.799 -3.264 14.234 1.00 0.00 C ATOM 783 C GLU A 54 3.904 -2.596 15.286 1.00 0.00 C ATOM 784 O GLU A 54 2.671 -2.560 15.055 1.00 0.00 O ATOM 785 CB GLU A 54 5.392 -2.203 13.292 1.00 0.00 C ATOM 786 CG GLU A 54 6.402 -2.775 12.281 1.00 0.00 C ATOM 787 CD GLU A 54 7.723 -2.020 12.285 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.686 -0.840 11.869 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.744 -2.622 12.675 1.00 0.00 O ATOM 790 OXT GLU A 54 4.467 -2.107 16.289 1.00 0.00 O ATOM 0 H GLU A 54 3.779 -3.961 12.542 1.00 0.00 H new ATOM 0 HA GLU A 54 5.632 -3.776 14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.581 -1.717 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.883 -1.433 13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.586 -3.824 12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.970 -2.739 11.281 1.00 0.00 H new