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 132:sc= 2.44 USER MOD Set 1.2: A 9 CYS SG : rot -56:sc= 1.11 USER MOD Set 1.3: A 39 CYS SG : rot -41:sc= 0.328 USER MOD Set 1.4: A 42 CYS SG : rot 162:sc= 0.0449 USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.01) USER MOD Single : A 3 LYS NZ :NH3+ 138:sc= 1.13 (180deg=-0.195!) USER MOD Single : A 4 TYR OH : rot -108:sc= 1.26 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 86:sc= 0.822 USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 TYR OH : rot -8:sc= 1.11 USER MOD Single : A 14 ASN : amide:sc= -1.55 K(o=-1.6,f=-7.1!) USER MOD Single : A 22 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.5!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.98) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 2.24 (180deg=1.49) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -2.202 0.090 10.691 1.00 0.00 N ATOM 21 CA LYS A 2 -0.900 -0.554 10.717 1.00 0.00 C ATOM 22 C LYS A 2 -0.344 -0.812 9.321 1.00 0.00 C ATOM 23 O LYS A 2 -1.004 -0.594 8.307 1.00 0.00 O ATOM 24 CB LYS A 2 -0.938 -1.845 11.518 1.00 0.00 C ATOM 25 CG LYS A 2 -1.748 -1.678 12.801 1.00 0.00 C ATOM 26 CD LYS A 2 -1.503 -2.918 13.650 1.00 0.00 C ATOM 27 CE LYS A 2 -2.807 -3.405 14.285 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.646 -4.776 14.802 1.00 0.00 N ATOM 0 HA LYS A 2 -0.224 0.145 11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.373 -2.639 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.078 -2.153 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.442 -0.779 13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.809 -1.569 12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.076 -3.709 13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.775 -2.693 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.097 -2.736 15.095 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.610 -3.379 13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.415 -4.988 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.678 -5.451 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.731 -4.858 15.290 1.00 0.00 H new ATOM 42 N LYS A 3 0.912 -1.237 9.282 1.00 0.00 N ATOM 43 CA LYS A 3 1.635 -1.422 8.048 1.00 0.00 C ATOM 44 C LYS A 3 1.147 -2.685 7.359 1.00 0.00 C ATOM 45 O LYS A 3 0.440 -3.490 7.960 1.00 0.00 O ATOM 46 CB LYS A 3 3.129 -1.431 8.359 1.00 0.00 C ATOM 47 CG LYS A 3 3.504 -0.140 9.091 1.00 0.00 C ATOM 48 CD LYS A 3 4.988 -0.174 9.468 1.00 0.00 C ATOM 49 CE LYS A 3 5.324 0.954 10.454 1.00 0.00 C ATOM 50 NZ LYS A 3 6.450 0.591 11.332 1.00 0.00 N ATOM 0 H LYS A 3 1.454 -1.462 10.116 1.00 0.00 H new ATOM 0 HA LYS A 3 1.455 -0.605 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.378 -2.296 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.703 -1.519 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.300 0.722 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.894 -0.028 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.233 -1.138 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.599 -0.073 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.571 1.860 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.447 1.180 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.086 1.407 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.087 0.315 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.973 -0.205 10.915 1.00 0.00 H new ATOM 64 N TYR A 4 1.523 -2.849 6.094 1.00 0.00 N ATOM 65 CA TYR A 4 1.153 -4.029 5.311 1.00 0.00 C ATOM 66 C TYR A 4 2.253 -4.433 4.335 1.00 0.00 C ATOM 67 O TYR A 4 2.881 -3.561 3.737 1.00 0.00 O ATOM 68 CB TYR A 4 -0.121 -3.771 4.501 1.00 0.00 C ATOM 69 CG TYR A 4 -1.401 -3.785 5.305 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.794 -2.658 6.039 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.171 -4.957 5.374 1.00 0.00 C ATOM 72 CE1 TYR A 4 -2.874 -2.744 6.930 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.205 -5.065 6.322 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.483 -3.985 7.178 1.00 0.00 C ATOM 75 OH TYR A 4 -4.439 -4.099 8.145 1.00 0.00 O ATOM 0 H TYR A 4 2.090 -2.173 5.583 1.00 0.00 H new ATOM 0 HA TYR A 4 0.992 -4.833 6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.030 -2.804 4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.194 -4.524 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.266 -1.724 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.970 -5.776 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.237 -1.856 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.783 -5.975 6.392 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.072 -4.586 8.912 1.00 0.00 H new ATOM 85 N THR A 5 2.437 -5.741 4.121 1.00 0.00 N ATOM 86 CA THR A 5 3.299 -6.231 3.035 1.00 0.00 C ATOM 87 C THR A 5 2.587 -6.120 1.672 1.00 0.00 C ATOM 88 O THR A 5 1.355 -6.192 1.626 1.00 0.00 O ATOM 89 CB THR A 5 3.747 -7.672 3.335 1.00 0.00 C ATOM 90 OG1 THR A 5 4.212 -7.740 4.668 1.00 0.00 O ATOM 91 CG2 THR A 5 4.893 -8.129 2.427 1.00 0.00 C ATOM 0 H THR A 5 2.005 -6.476 4.680 1.00 0.00 H new ATOM 0 HA THR A 5 4.190 -5.606 2.977 1.00 0.00 H new ATOM 0 HB THR A 5 2.886 -8.318 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.498 -8.656 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.171 -9.152 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.572 -8.087 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.752 -7.474 2.568 1.00 0.00 H new ATOM 99 N CYS A 6 3.340 -5.943 0.572 1.00 0.00 N ATOM 100 CA CYS A 6 2.793 -6.038 -0.786 1.00 0.00 C ATOM 101 C CYS A 6 2.317 -7.474 -1.066 1.00 0.00 C ATOM 102 O CYS A 6 2.547 -8.389 -0.278 1.00 0.00 O ATOM 103 CB CYS A 6 3.825 -5.567 -1.791 1.00 0.00 C ATOM 104 SG CYS A 6 3.198 -5.450 -3.505 1.00 0.00 S ATOM 0 H CYS A 6 4.337 -5.732 0.602 1.00 0.00 H new ATOM 0 HA CYS A 6 1.924 -5.387 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.196 -4.589 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.674 -6.251 -1.772 1.00 0.00 H new ATOM 0 HG CYS A 6 3.538 -4.303 -4.014 1.00 0.00 H new ATOM 109 N THR A 7 1.631 -7.666 -2.194 1.00 0.00 N ATOM 110 CA THR A 7 1.043 -8.928 -2.605 1.00 0.00 C ATOM 111 C THR A 7 2.121 -9.937 -3.029 1.00 0.00 C ATOM 112 O THR A 7 2.032 -11.111 -2.671 1.00 0.00 O ATOM 113 CB THR A 7 -0.029 -8.649 -3.676 1.00 0.00 C ATOM 114 OG1 THR A 7 -0.966 -9.700 -3.729 1.00 0.00 O ATOM 115 CG2 THR A 7 0.504 -8.387 -5.085 1.00 0.00 C ATOM 0 H THR A 7 1.468 -6.916 -2.866 1.00 0.00 H new ATOM 0 HA THR A 7 0.541 -9.409 -1.765 1.00 0.00 H new ATOM 0 HB THR A 7 -0.496 -7.719 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.671 -9.544 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.331 -8.202 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.159 -7.516 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.065 -9.256 -5.429 1.00 0.00 H new ATOM 123 N VAL A 8 3.138 -9.504 -3.792 1.00 0.00 N ATOM 124 CA VAL A 8 4.204 -10.386 -4.283 1.00 0.00 C ATOM 125 C VAL A 8 5.589 -9.727 -4.245 1.00 0.00 C ATOM 126 O VAL A 8 6.491 -10.160 -4.961 1.00 0.00 O ATOM 127 CB VAL A 8 3.884 -10.937 -5.692 1.00 0.00 C ATOM 128 CG1 VAL A 8 2.665 -11.869 -5.693 1.00 0.00 C ATOM 129 CG2 VAL A 8 3.729 -9.824 -6.738 1.00 0.00 C ATOM 0 H VAL A 8 3.242 -8.532 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 8 4.242 -11.229 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 8 4.750 -11.533 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.483 -12.229 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.855 -12.717 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.790 -11.324 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.505 -10.266 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.916 -9.160 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.656 -9.255 -6.804 1.00 0.00 H new ATOM 139 N CYS A 9 5.797 -8.729 -3.384 1.00 0.00 N ATOM 140 CA CYS A 9 7.125 -8.205 -3.103 1.00 0.00 C ATOM 141 C CYS A 9 7.138 -7.749 -1.644 1.00 0.00 C ATOM 142 O CYS A 9 6.239 -8.110 -0.885 1.00 0.00 O ATOM 143 CB CYS A 9 7.514 -7.141 -4.107 1.00 0.00 C ATOM 144 SG CYS A 9 6.586 -5.602 -3.890 1.00 0.00 S ATOM 0 H CYS A 9 5.050 -8.266 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 9 7.895 -8.968 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.580 -6.933 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.349 -7.521 -5.115 1.00 0.00 H new ATOM 0 HG CYS A 9 5.311 -5.853 -3.942 1.00 0.00 H new ATOM 149 N GLY A 10 8.153 -6.985 -1.240 1.00 0.00 N ATOM 150 CA GLY A 10 8.203 -6.414 0.092 1.00 0.00 C ATOM 151 C GLY A 10 7.399 -5.118 0.113 1.00 0.00 C ATOM 152 O GLY A 10 6.252 -5.114 0.564 1.00 0.00 O ATOM 0 H GLY A 10 8.954 -6.750 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.798 -7.119 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.236 -6.219 0.379 1.00 0.00 H new ATOM 156 N TYR A 11 8.061 -4.041 -0.348 1.00 0.00 N ATOM 157 CA TYR A 11 7.618 -2.645 -0.382 1.00 0.00 C ATOM 158 C TYR A 11 6.494 -2.377 0.622 1.00 0.00 C ATOM 159 O TYR A 11 5.361 -2.082 0.253 1.00 0.00 O ATOM 160 CB TYR A 11 7.294 -2.211 -1.822 1.00 0.00 C ATOM 161 CG TYR A 11 8.507 -2.055 -2.727 1.00 0.00 C ATOM 162 CD1 TYR A 11 9.115 -3.185 -3.303 1.00 0.00 C ATOM 163 CD2 TYR A 11 9.012 -0.772 -3.016 1.00 0.00 C ATOM 164 CE1 TYR A 11 10.204 -3.036 -4.179 1.00 0.00 C ATOM 165 CE2 TYR A 11 10.115 -0.624 -3.875 1.00 0.00 C ATOM 166 CZ TYR A 11 10.697 -1.754 -4.472 1.00 0.00 C ATOM 167 OH TYR A 11 11.754 -1.606 -5.320 1.00 0.00 O ATOM 0 H TYR A 11 8.998 -4.139 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 11 8.441 -2.010 -0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.619 -2.944 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.758 -1.263 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.743 -4.172 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.551 0.100 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.661 -3.906 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.515 0.359 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 11 11.752 -2.334 -5.976 1.00 0.00 H new ATOM 177 N ILE A 12 6.831 -2.505 1.911 1.00 0.00 N ATOM 178 CA ILE A 12 5.862 -2.416 2.990 1.00 0.00 C ATOM 179 C ILE A 12 5.157 -1.062 2.949 1.00 0.00 C ATOM 180 O ILE A 12 5.795 -0.016 3.049 1.00 0.00 O ATOM 181 CB ILE A 12 6.527 -2.726 4.349 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.617 -4.259 4.471 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.747 -2.126 5.537 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.487 -4.748 5.631 1.00 0.00 C ATOM 0 H ILE A 12 7.786 -2.673 2.227 1.00 0.00 H new ATOM 0 HA ILE A 12 5.090 -3.174 2.856 1.00 0.00 H new ATOM 0 HB ILE A 12 7.516 -2.269 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.611 -4.662 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.013 -4.663 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.256 -2.373 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.695 -1.043 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.738 -2.538 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.496 -5.838 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.504 -4.378 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.081 -4.377 6.572 1.00 0.00 H new ATOM 196 N TYR A 13 3.832 -1.099 2.824 1.00 0.00 N ATOM 197 CA TYR A 13 2.998 0.079 2.910 1.00 0.00 C ATOM 198 C TYR A 13 2.940 0.511 4.371 1.00 0.00 C ATOM 199 O TYR A 13 2.773 -0.336 5.253 1.00 0.00 O ATOM 200 CB TYR A 13 1.600 -0.265 2.402 1.00 0.00 C ATOM 201 CG TYR A 13 0.619 0.885 2.494 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.038 1.161 3.705 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.410 1.722 1.387 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.870 2.285 3.810 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.242 2.957 1.565 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.888 3.244 2.783 1.00 0.00 C ATOM 207 OH TYR A 13 -1.707 4.333 2.882 1.00 0.00 O ATOM 0 H TYR A 13 3.310 -1.960 2.659 1.00 0.00 H new ATOM 0 HA TYR A 13 3.402 0.890 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.670 -0.589 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.213 -1.108 2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.098 0.508 4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.747 1.421 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.497 2.414 4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.247 3.685 0.767 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.303 4.225 3.652 1.00 0.00 H new ATOM 217 N ASN A 14 3.029 1.821 4.617 1.00 0.00 N ATOM 218 CA ASN A 14 2.921 2.408 5.943 1.00 0.00 C ATOM 219 C ASN A 14 1.839 3.480 5.939 1.00 0.00 C ATOM 220 O ASN A 14 2.019 4.512 5.299 1.00 0.00 O ATOM 221 CB ASN A 14 4.279 2.976 6.365 1.00 0.00 C ATOM 222 CG ASN A 14 4.252 3.478 7.803 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.225 3.452 8.472 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.394 3.896 8.320 1.00 0.00 N ATOM 0 H ASN A 14 3.181 2.511 3.882 1.00 0.00 H new ATOM 0 HA ASN A 14 2.636 1.646 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.044 2.207 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.556 3.793 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.431 4.204 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.238 3.910 7.747 1.00 0.00 H new ATOM 231 N PRO A 15 0.709 3.273 6.632 1.00 0.00 N ATOM 232 CA PRO A 15 -0.403 4.196 6.549 1.00 0.00 C ATOM 233 C PRO A 15 -0.029 5.557 7.085 1.00 0.00 C ATOM 234 O PRO A 15 -0.410 6.553 6.485 1.00 0.00 O ATOM 235 CB PRO A 15 -1.564 3.584 7.327 1.00 0.00 C ATOM 236 CG PRO A 15 -0.910 2.532 8.217 1.00 0.00 C ATOM 237 CD PRO A 15 0.449 2.210 7.588 1.00 0.00 C ATOM 0 HA PRO A 15 -0.690 4.351 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.086 4.336 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.299 3.137 6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.788 2.906 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.530 1.638 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.230 2.168 8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.431 1.238 7.095 1.00 0.00 H new ATOM 245 N GLU A 16 0.735 5.611 8.173 1.00 0.00 N ATOM 246 CA GLU A 16 1.135 6.866 8.773 1.00 0.00 C ATOM 247 C GLU A 16 1.856 7.760 7.761 1.00 0.00 C ATOM 248 O GLU A 16 1.718 8.981 7.801 1.00 0.00 O ATOM 249 CB GLU A 16 2.005 6.564 9.989 1.00 0.00 C ATOM 250 CG GLU A 16 1.209 5.766 11.033 1.00 0.00 C ATOM 251 CD GLU A 16 1.872 5.810 12.403 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.838 6.902 13.008 1.00 0.00 O ATOM 253 OE2 GLU A 16 2.387 4.751 12.820 1.00 0.00 O ATOM 0 H GLU A 16 1.089 4.786 8.657 1.00 0.00 H new ATOM 0 HA GLU A 16 0.253 7.420 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.885 5.998 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.362 7.495 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.198 6.168 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.117 4.730 10.706 1.00 0.00 H new ATOM 260 N ASP A 17 2.588 7.136 6.836 1.00 0.00 N ATOM 261 CA ASP A 17 3.326 7.834 5.789 1.00 0.00 C ATOM 262 C ASP A 17 2.461 7.976 4.532 1.00 0.00 C ATOM 263 O ASP A 17 2.606 8.933 3.773 1.00 0.00 O ATOM 264 CB ASP A 17 4.613 7.068 5.473 1.00 0.00 C ATOM 265 CG ASP A 17 5.695 7.256 6.526 1.00 0.00 C ATOM 266 OD1 ASP A 17 6.435 8.255 6.416 1.00 0.00 O ATOM 267 OD2 ASP A 17 5.787 6.376 7.409 1.00 0.00 O ATOM 0 H ASP A 17 2.684 6.121 6.795 1.00 0.00 H new ATOM 0 HA ASP A 17 3.585 8.834 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.384 6.006 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.995 7.395 4.506 1.00 0.00 H new ATOM 272 N GLY A 18 1.552 7.026 4.308 1.00 0.00 N ATOM 273 CA GLY A 18 0.809 6.910 3.075 1.00 0.00 C ATOM 274 C GLY A 18 1.736 6.552 1.911 1.00 0.00 C ATOM 275 O GLY A 18 2.839 6.052 2.115 1.00 0.00 O ATOM 0 H GLY A 18 1.316 6.310 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.039 6.146 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.299 7.850 2.863 1.00 0.00 H new ATOM 279 N ASP A 19 1.276 6.838 0.692 1.00 0.00 N ATOM 280 CA ASP A 19 2.044 6.761 -0.545 1.00 0.00 C ATOM 281 C ASP A 19 1.648 7.973 -1.409 1.00 0.00 C ATOM 282 O ASP A 19 1.093 7.820 -2.504 1.00 0.00 O ATOM 283 CB ASP A 19 1.785 5.397 -1.228 1.00 0.00 C ATOM 284 CG ASP A 19 2.948 4.428 -1.066 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.045 4.781 -1.551 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.701 3.334 -0.516 1.00 0.00 O ATOM 0 H ASP A 19 0.315 7.143 0.537 1.00 0.00 H new ATOM 0 HA ASP A 19 3.119 6.808 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.884 4.950 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.596 5.557 -2.290 1.00 0.00 H new ATOM 291 N PRO A 20 1.880 9.205 -0.922 1.00 0.00 N ATOM 292 CA PRO A 20 1.332 10.408 -1.530 1.00 0.00 C ATOM 293 C PRO A 20 1.832 10.588 -2.958 1.00 0.00 C ATOM 294 O PRO A 20 1.068 11.010 -3.822 1.00 0.00 O ATOM 295 CB PRO A 20 1.722 11.574 -0.616 1.00 0.00 C ATOM 296 CG PRO A 20 2.909 11.037 0.182 1.00 0.00 C ATOM 297 CD PRO A 20 2.620 9.540 0.284 1.00 0.00 C ATOM 0 HA PRO A 20 0.247 10.349 -1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.995 12.458 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.899 11.861 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.854 11.230 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.975 11.501 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.544 8.965 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.039 9.312 1.177 1.00 0.00 H new ATOM 305 N ASP A 21 3.085 10.211 -3.221 1.00 0.00 N ATOM 306 CA ASP A 21 3.721 10.296 -4.522 1.00 0.00 C ATOM 307 C ASP A 21 2.923 9.508 -5.561 1.00 0.00 C ATOM 308 O ASP A 21 2.898 9.853 -6.740 1.00 0.00 O ATOM 309 CB ASP A 21 5.140 9.730 -4.383 1.00 0.00 C ATOM 310 CG ASP A 21 5.928 10.430 -3.286 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.545 10.207 -2.115 1.00 0.00 O ATOM 312 OD2 ASP A 21 6.867 11.177 -3.632 1.00 0.00 O ATOM 0 H ASP A 21 3.700 9.826 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 21 3.760 11.332 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.085 8.663 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.667 9.835 -5.331 1.00 0.00 H new ATOM 317 N ASN A 22 2.275 8.435 -5.103 1.00 0.00 N ATOM 318 CA ASN A 22 1.466 7.535 -5.911 1.00 0.00 C ATOM 319 C ASN A 22 0.009 7.979 -5.906 1.00 0.00 C ATOM 320 O ASN A 22 -0.720 7.715 -6.859 1.00 0.00 O ATOM 321 CB ASN A 22 1.584 6.108 -5.371 1.00 0.00 C ATOM 322 CG ASN A 22 3.026 5.646 -5.200 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.571 4.966 -6.062 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.630 5.987 -4.068 1.00 0.00 N ATOM 0 H ASN A 22 2.304 8.163 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 22 1.830 7.560 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.074 6.047 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.069 5.427 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.586 5.681 -3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.138 6.555 -3.378 1.00 0.00 H new ATOM 331 N GLY A 23 -0.407 8.642 -4.826 1.00 0.00 N ATOM 332 CA GLY A 23 -1.700 9.298 -4.712 1.00 0.00 C ATOM 333 C GLY A 23 -2.382 9.056 -3.364 1.00 0.00 C ATOM 334 O GLY A 23 -3.491 9.537 -3.142 1.00 0.00 O ATOM 0 H GLY A 23 0.165 8.737 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.570 10.370 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.352 8.943 -5.510 1.00 0.00 H new ATOM 338 N VAL A 24 -1.746 8.307 -2.460 1.00 0.00 N ATOM 339 CA VAL A 24 -2.352 7.871 -1.211 1.00 0.00 C ATOM 340 C VAL A 24 -1.854 8.764 -0.079 1.00 0.00 C ATOM 341 O VAL A 24 -0.684 8.724 0.282 1.00 0.00 O ATOM 342 CB VAL A 24 -2.006 6.396 -0.994 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.454 5.899 0.376 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.675 5.531 -2.067 1.00 0.00 C ATOM 0 H VAL A 24 -0.786 7.986 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.438 7.959 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.921 6.313 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.188 4.848 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.960 6.482 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.534 6.012 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.421 4.484 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.757 5.655 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.324 5.838 -3.052 1.00 0.00 H new ATOM 354 N ASN A 25 -2.732 9.589 0.483 1.00 0.00 N ATOM 355 CA ASN A 25 -2.354 10.541 1.519 1.00 0.00 C ATOM 356 C ASN A 25 -1.882 9.815 2.784 1.00 0.00 C ATOM 357 O ASN A 25 -2.296 8.681 3.027 1.00 0.00 O ATOM 358 CB ASN A 25 -3.548 11.453 1.832 1.00 0.00 C ATOM 359 CG ASN A 25 -3.654 12.609 0.843 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.384 13.753 1.192 1.00 0.00 O ATOM 361 ND2 ASN A 25 -4.036 12.333 -0.402 1.00 0.00 N ATOM 0 H ASN A 25 -3.721 9.616 0.234 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.524 11.147 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.468 10.869 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.448 11.848 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.110 13.082 -1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.255 11.373 -0.667 1.00 0.00 H new ATOM 368 N PRO A 26 -1.046 10.451 3.618 1.00 0.00 N ATOM 369 CA PRO A 26 -0.726 9.911 4.924 1.00 0.00 C ATOM 370 C PRO A 26 -1.988 9.736 5.763 1.00 0.00 C ATOM 371 O PRO A 26 -2.974 10.454 5.609 1.00 0.00 O ATOM 372 CB PRO A 26 0.276 10.868 5.567 1.00 0.00 C ATOM 373 CG PRO A 26 0.112 12.168 4.783 1.00 0.00 C ATOM 374 CD PRO A 26 -0.399 11.734 3.409 1.00 0.00 C ATOM 0 HA PRO A 26 -0.285 8.917 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.064 11.013 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.294 10.486 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.593 12.839 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.058 12.703 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.099 12.464 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.421 11.648 2.696 1.00 0.00 H new ATOM 382 N GLY A 27 -1.940 8.733 6.631 1.00 0.00 N ATOM 383 CA GLY A 27 -3.034 8.279 7.461 1.00 0.00 C ATOM 384 C GLY A 27 -4.102 7.519 6.680 1.00 0.00 C ATOM 385 O GLY A 27 -5.183 7.307 7.225 1.00 0.00 O ATOM 0 H GLY A 27 -1.089 8.190 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.642 7.636 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.492 9.139 7.950 1.00 0.00 H new ATOM 389 N THR A 28 -3.839 7.072 5.444 1.00 0.00 N ATOM 390 CA THR A 28 -4.833 6.321 4.713 1.00 0.00 C ATOM 391 C THR A 28 -4.681 4.860 5.088 1.00 0.00 C ATOM 392 O THR A 28 -3.627 4.262 4.858 1.00 0.00 O ATOM 393 CB THR A 28 -4.651 6.535 3.210 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.860 7.889 2.875 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.666 5.704 2.441 1.00 0.00 C ATOM 0 H THR A 28 -2.960 7.221 4.949 1.00 0.00 H new ATOM 0 HA THR A 28 -5.838 6.658 4.967 1.00 0.00 H new ATOM 0 HB THR A 28 -3.635 6.238 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.064 8.410 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.530 5.862 1.371 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.523 4.649 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.674 6.005 2.727 1.00 0.00 H new ATOM 403 N ASP A 29 -5.745 4.286 5.643 1.00 0.00 N ATOM 404 CA ASP A 29 -5.809 2.867 5.906 1.00 0.00 C ATOM 405 C ASP A 29 -5.655 2.110 4.601 1.00 0.00 C ATOM 406 O ASP A 29 -6.336 2.425 3.630 1.00 0.00 O ATOM 407 CB ASP A 29 -7.147 2.505 6.545 1.00 0.00 C ATOM 408 CG ASP A 29 -7.084 1.142 7.207 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.360 0.261 6.696 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.647 0.987 8.312 1.00 0.00 O ATOM 0 H ASP A 29 -6.582 4.799 5.920 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.006 2.597 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.417 3.260 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.929 2.508 5.786 1.00 0.00 H new ATOM 415 N PHE A 30 -4.821 1.073 4.608 1.00 0.00 N ATOM 416 CA PHE A 30 -4.727 0.116 3.523 1.00 0.00 C ATOM 417 C PHE A 30 -6.101 -0.293 2.994 1.00 0.00 C ATOM 418 O PHE A 30 -6.282 -0.479 1.786 1.00 0.00 O ATOM 419 CB PHE A 30 -3.962 -1.118 3.996 1.00 0.00 C ATOM 420 CG PHE A 30 -3.251 -1.816 2.862 1.00 0.00 C ATOM 421 CD1 PHE A 30 -3.969 -2.535 1.890 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.883 -1.572 2.676 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.317 -2.967 0.723 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.215 -2.097 1.564 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.934 -2.787 0.589 1.00 0.00 C ATOM 0 H PHE A 30 -4.185 0.876 5.381 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.193 0.595 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.235 -0.825 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.654 -1.813 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.016 -2.754 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.342 -0.975 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.881 -3.437 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.148 -1.968 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.422 -3.185 -0.275 1.00 0.00 H new ATOM 435 N LYS A 31 -7.093 -0.442 3.879 1.00 0.00 N ATOM 436 CA LYS A 31 -8.390 -0.858 3.377 1.00 0.00 C ATOM 437 C LYS A 31 -9.012 0.256 2.524 1.00 0.00 C ATOM 438 O LYS A 31 -9.595 -0.022 1.479 1.00 0.00 O ATOM 439 CB LYS A 31 -9.272 -1.384 4.505 1.00 0.00 C ATOM 440 CG LYS A 31 -9.760 -0.223 5.355 1.00 0.00 C ATOM 441 CD LYS A 31 -10.477 -0.741 6.597 1.00 0.00 C ATOM 442 CE LYS A 31 -10.948 0.407 7.504 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.831 1.363 6.804 1.00 0.00 N ATOM 0 H LYS A 31 -7.026 -0.290 4.885 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.276 -1.707 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.122 -1.928 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.712 -2.088 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.916 0.402 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.435 0.405 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.335 -1.343 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.808 -1.395 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.477 -0.007 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.079 0.938 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.305 1.972 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.265 1.951 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.545 0.840 6.258 1.00 0.00 H new ATOM 457 N ASP A 32 -8.834 1.507 2.958 1.00 0.00 N ATOM 458 CA ASP A 32 -9.414 2.693 2.346 1.00 0.00 C ATOM 459 C ASP A 32 -8.657 3.069 1.072 1.00 0.00 C ATOM 460 O ASP A 32 -9.182 3.832 0.263 1.00 0.00 O ATOM 461 CB ASP A 32 -9.407 3.877 3.334 1.00 0.00 C ATOM 462 CG ASP A 32 -10.402 3.763 4.483 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.923 2.652 4.717 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.619 4.787 5.160 1.00 0.00 O ATOM 0 H ASP A 32 -8.261 1.723 3.774 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.447 2.464 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.405 3.978 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.616 4.793 2.782 1.00 0.00 H new ATOM 469 N ILE A 33 -7.431 2.562 0.872 1.00 0.00 N ATOM 470 CA ILE A 33 -6.701 2.784 -0.355 1.00 0.00 C ATOM 471 C ILE A 33 -7.593 2.387 -1.531 1.00 0.00 C ATOM 472 O ILE A 33 -8.161 1.293 -1.498 1.00 0.00 O ATOM 473 CB ILE A 33 -5.438 1.936 -0.338 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.516 2.395 0.781 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.655 1.996 -1.627 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.152 1.710 0.737 1.00 0.00 C ATOM 0 H ILE A 33 -6.934 1.994 1.558 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.422 3.833 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.775 0.910 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.379 3.474 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.989 2.193 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.768 1.368 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.277 1.638 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.354 3.025 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.535 2.075 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.283 0.632 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.663 1.933 -0.211 1.00 0.00 H new ATOM 488 N PRO A 34 -7.693 3.223 -2.568 1.00 0.00 N ATOM 489 CA PRO A 34 -8.490 2.914 -3.733 1.00 0.00 C ATOM 490 C PRO A 34 -7.921 1.682 -4.434 1.00 0.00 C ATOM 491 O PRO A 34 -6.709 1.539 -4.566 1.00 0.00 O ATOM 492 CB PRO A 34 -8.414 4.140 -4.640 1.00 0.00 C ATOM 493 CG PRO A 34 -7.411 5.108 -4.002 1.00 0.00 C ATOM 494 CD PRO A 34 -6.881 4.407 -2.752 1.00 0.00 C ATOM 0 HA PRO A 34 -9.524 2.691 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.094 3.858 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.393 4.609 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.600 5.340 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.890 6.053 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.831 4.142 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.947 5.061 -1.883 1.00 0.00 H new ATOM 502 N ASP A 35 -8.787 0.798 -4.921 1.00 0.00 N ATOM 503 CA ASP A 35 -8.393 -0.414 -5.599 1.00 0.00 C ATOM 504 C ASP A 35 -7.775 -0.126 -6.975 1.00 0.00 C ATOM 505 O ASP A 35 -7.181 -1.016 -7.580 1.00 0.00 O ATOM 506 CB ASP A 35 -9.634 -1.304 -5.647 1.00 0.00 C ATOM 507 CG ASP A 35 -9.940 -2.023 -4.329 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.165 -1.870 -3.353 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.978 -2.716 -4.315 1.00 0.00 O ATOM 0 H ASP A 35 -9.798 0.914 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.597 -0.933 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.494 -0.695 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.504 -2.048 -6.433 1.00 0.00 H new ATOM 514 N ASP A 36 -7.866 1.121 -7.454 1.00 0.00 N ATOM 515 CA ASP A 36 -7.133 1.608 -8.610 1.00 0.00 C ATOM 516 C ASP A 36 -5.663 1.916 -8.289 1.00 0.00 C ATOM 517 O ASP A 36 -4.871 2.100 -9.212 1.00 0.00 O ATOM 518 CB ASP A 36 -7.858 2.823 -9.202 1.00 0.00 C ATOM 519 CG ASP A 36 -7.911 4.019 -8.266 1.00 0.00 C ATOM 520 OD1 ASP A 36 -6.834 4.580 -7.975 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.037 4.336 -7.832 1.00 0.00 O ATOM 0 H ASP A 36 -8.467 1.829 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.109 0.814 -9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.360 3.118 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.875 2.535 -9.466 1.00 0.00 H new ATOM 526 N TRP A 37 -5.276 1.954 -7.009 1.00 0.00 N ATOM 527 CA TRP A 37 -3.893 2.189 -6.624 1.00 0.00 C ATOM 528 C TRP A 37 -3.043 0.948 -6.912 1.00 0.00 C ATOM 529 O TRP A 37 -3.543 -0.175 -6.937 1.00 0.00 O ATOM 530 CB TRP A 37 -3.823 2.583 -5.149 1.00 0.00 C ATOM 531 CG TRP A 37 -2.449 2.750 -4.583 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.653 3.838 -4.678 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.672 1.751 -3.865 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.468 3.597 -4.008 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.420 2.317 -3.497 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.907 0.410 -3.509 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.545 1.594 -2.781 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -0.947 -0.329 -2.792 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.276 0.262 -2.426 1.00 0.00 C ATOM 0 H TRP A 37 -5.912 1.823 -6.222 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.490 3.012 -7.214 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.366 3.519 -5.017 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.346 1.826 -4.565 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.903 4.752 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.280 4.283 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.838 -0.059 -3.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.482 2.055 -2.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.150 -1.355 -2.522 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.007 -0.308 -1.872 1.00 0.00 H new ATOM 550 N VAL A 38 -1.746 1.170 -7.138 1.00 0.00 N ATOM 551 CA VAL A 38 -0.786 0.180 -7.607 1.00 0.00 C ATOM 552 C VAL A 38 0.509 0.350 -6.791 1.00 0.00 C ATOM 553 O VAL A 38 0.790 1.454 -6.322 1.00 0.00 O ATOM 554 CB VAL A 38 -0.617 0.398 -9.127 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.431 -0.502 -9.774 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.940 0.119 -9.859 1.00 0.00 C ATOM 0 H VAL A 38 -1.322 2.086 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.108 -0.851 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.296 1.435 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.488 -0.286 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.402 -0.318 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.153 -1.546 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.804 0.277 -10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.244 -0.912 -9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.711 0.794 -9.487 1.00 0.00 H new ATOM 566 N CYS A 39 1.269 -0.732 -6.578 1.00 0.00 N ATOM 567 CA CYS A 39 2.482 -0.753 -5.765 1.00 0.00 C ATOM 568 C CYS A 39 3.649 -0.182 -6.587 1.00 0.00 C ATOM 569 O CYS A 39 3.836 -0.578 -7.741 1.00 0.00 O ATOM 570 CB CYS A 39 2.736 -2.173 -5.299 1.00 0.00 C ATOM 571 SG CYS A 39 4.361 -2.426 -4.536 1.00 0.00 S ATOM 0 H CYS A 39 1.046 -1.642 -6.981 1.00 0.00 H new ATOM 0 HA CYS A 39 2.373 -0.129 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.963 -2.452 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.638 -2.846 -6.151 1.00 0.00 H new ATOM 0 HG CYS A 39 5.264 -1.780 -5.213 1.00 0.00 H new ATOM 576 N PRO A 40 4.429 0.768 -6.044 1.00 0.00 N ATOM 577 CA PRO A 40 5.532 1.382 -6.769 1.00 0.00 C ATOM 578 C PRO A 40 6.622 0.351 -7.074 1.00 0.00 C ATOM 579 O PRO A 40 6.839 -0.573 -6.295 1.00 0.00 O ATOM 580 CB PRO A 40 6.041 2.505 -5.858 1.00 0.00 C ATOM 581 CG PRO A 40 5.657 2.036 -4.456 1.00 0.00 C ATOM 582 CD PRO A 40 4.344 1.292 -4.690 1.00 0.00 C ATOM 0 HA PRO A 40 5.222 1.775 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.118 2.641 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.576 3.460 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.418 1.385 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.529 2.874 -3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.214 0.488 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.490 1.960 -4.581 1.00 0.00 H new ATOM 590 N LEU A 41 7.319 0.517 -8.209 1.00 0.00 N ATOM 591 CA LEU A 41 8.395 -0.350 -8.703 1.00 0.00 C ATOM 592 C LEU A 41 7.865 -1.722 -9.136 1.00 0.00 C ATOM 593 O LEU A 41 7.992 -2.093 -10.301 1.00 0.00 O ATOM 594 CB LEU A 41 9.555 -0.481 -7.691 1.00 0.00 C ATOM 595 CG LEU A 41 10.581 0.664 -7.704 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.576 0.494 -8.859 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.952 2.061 -7.754 1.00 0.00 C ATOM 0 H LEU A 41 7.136 1.300 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 41 8.805 0.136 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.132 -0.555 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.079 -1.417 -7.886 1.00 0.00 H new ATOM 0 HG LEU A 41 11.107 0.596 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.291 1.316 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.107 -0.451 -8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.037 0.496 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.740 2.815 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.350 2.157 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.318 2.206 -6.879 1.00 0.00 H new ATOM 609 N CYS A 42 7.298 -2.472 -8.195 1.00 0.00 N ATOM 610 CA CYS A 42 6.702 -3.784 -8.392 1.00 0.00 C ATOM 611 C CYS A 42 5.563 -3.716 -9.416 1.00 0.00 C ATOM 612 O CYS A 42 5.584 -4.442 -10.410 1.00 0.00 O ATOM 613 CB CYS A 42 6.280 -4.278 -7.031 1.00 0.00 C ATOM 614 SG CYS A 42 4.954 -5.513 -7.023 1.00 0.00 S ATOM 0 H CYS A 42 7.241 -2.162 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 42 7.408 -4.497 -8.818 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.151 -4.703 -6.532 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.959 -3.422 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 42 4.948 -6.136 -5.882 1.00 0.00 H new ATOM 619 N GLY A 43 4.580 -2.838 -9.199 1.00 0.00 N ATOM 620 CA GLY A 43 3.416 -2.726 -10.054 1.00 0.00 C ATOM 621 C GLY A 43 2.190 -3.305 -9.354 1.00 0.00 C ATOM 622 O GLY A 43 1.707 -2.740 -8.377 1.00 0.00 O ATOM 0 H GLY A 43 4.578 -2.184 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.240 -1.680 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.592 -3.254 -10.991 1.00 0.00 H new ATOM 626 N VAL A 44 1.613 -4.385 -9.885 1.00 0.00 N ATOM 627 CA VAL A 44 0.298 -4.844 -9.451 1.00 0.00 C ATOM 628 C VAL A 44 0.332 -5.271 -7.976 1.00 0.00 C ATOM 629 O VAL A 44 0.849 -6.335 -7.648 1.00 0.00 O ATOM 630 CB VAL A 44 -0.226 -5.943 -10.392 1.00 0.00 C ATOM 631 CG1 VAL A 44 -1.606 -6.441 -9.935 1.00 0.00 C ATOM 632 CG2 VAL A 44 -0.360 -5.399 -11.823 1.00 0.00 C ATOM 0 H VAL A 44 2.038 -4.956 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.412 -4.019 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 44 0.488 -6.767 -10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.956 -7.217 -10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.530 -6.849 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.312 -5.610 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.732 -6.187 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.058 -4.562 -11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.614 -5.062 -12.177 1.00 0.00 H new ATOM 642 N GLY A 45 -0.245 -4.436 -7.107 1.00 0.00 N ATOM 643 CA GLY A 45 -0.363 -4.647 -5.674 1.00 0.00 C ATOM 644 C GLY A 45 -1.807 -4.399 -5.244 1.00 0.00 C ATOM 645 O GLY A 45 -2.696 -4.334 -6.090 1.00 0.00 O ATOM 0 H GLY A 45 -0.661 -3.554 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.065 -5.664 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.308 -3.975 -5.139 1.00 0.00 H new ATOM 649 N LYS A 46 -2.040 -4.257 -3.934 1.00 0.00 N ATOM 650 CA LYS A 46 -3.381 -4.148 -3.364 1.00 0.00 C ATOM 651 C LYS A 46 -4.240 -5.346 -3.787 1.00 0.00 C ATOM 652 O LYS A 46 -5.308 -5.229 -4.381 1.00 0.00 O ATOM 653 CB LYS A 46 -3.965 -2.742 -3.587 1.00 0.00 C ATOM 654 CG LYS A 46 -5.492 -2.584 -3.468 1.00 0.00 C ATOM 655 CD LYS A 46 -5.914 -1.311 -2.734 1.00 0.00 C ATOM 656 CE LYS A 46 -5.974 -1.548 -1.220 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.278 -1.119 -0.662 1.00 0.00 N ATOM 0 H LYS A 46 -1.296 -4.215 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.352 -4.226 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.499 -2.066 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.668 -2.407 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.929 -2.581 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.900 -3.449 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.209 -0.509 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.890 -0.985 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.815 -2.605 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.168 -1.000 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.165 -0.886 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.616 -0.280 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.969 -1.889 -0.763 1.00 0.00 H new ATOM 671 N ASP A 47 -3.762 -6.511 -3.361 1.00 0.00 N ATOM 672 CA ASP A 47 -4.526 -7.730 -3.172 1.00 0.00 C ATOM 673 C ASP A 47 -3.744 -8.555 -2.152 1.00 0.00 C ATOM 674 O ASP A 47 -2.546 -8.328 -1.981 1.00 0.00 O ATOM 675 CB ASP A 47 -4.713 -8.491 -4.491 1.00 0.00 C ATOM 676 CG ASP A 47 -5.534 -9.763 -4.300 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.284 -9.815 -3.298 1.00 0.00 O ATOM 678 OD2 ASP A 47 -5.380 -10.672 -5.142 1.00 0.00 O ATOM 0 H ASP A 47 -2.777 -6.632 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.534 -7.514 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.207 -7.845 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.737 -8.747 -4.905 1.00 0.00 H new ATOM 683 N GLN A 48 -4.417 -9.474 -1.467 1.00 0.00 N ATOM 684 CA GLN A 48 -3.843 -10.459 -0.554 1.00 0.00 C ATOM 685 C GLN A 48 -2.796 -9.856 0.404 1.00 0.00 C ATOM 686 O GLN A 48 -1.783 -10.482 0.703 1.00 0.00 O ATOM 687 CB GLN A 48 -3.281 -11.625 -1.393 1.00 0.00 C ATOM 688 CG GLN A 48 -3.479 -12.978 -0.699 1.00 0.00 C ATOM 689 CD GLN A 48 -4.903 -13.495 -0.879 1.00 0.00 C ATOM 690 OE1 GLN A 48 -5.754 -13.315 -0.014 1.00 0.00 O ATOM 691 NE2 GLN A 48 -5.176 -14.154 -2.002 1.00 0.00 N ATOM 0 H GLN A 48 -5.431 -9.557 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.626 -10.832 0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.772 -11.641 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.219 -11.462 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.773 -13.703 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.258 -12.879 0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.448 -14.289 -2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.113 -14.525 -2.161 1.00 0.00 H new ATOM 700 N PHE A 49 -3.038 -8.631 0.877 1.00 0.00 N ATOM 701 CA PHE A 49 -2.085 -7.853 1.660 1.00 0.00 C ATOM 702 C PHE A 49 -2.056 -8.350 3.112 1.00 0.00 C ATOM 703 O PHE A 49 -3.107 -8.507 3.732 1.00 0.00 O ATOM 704 CB PHE A 49 -2.431 -6.354 1.554 1.00 0.00 C ATOM 705 CG PHE A 49 -3.919 -6.030 1.605 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.570 -5.862 2.841 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.662 -5.926 0.412 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.927 -5.507 2.885 1.00 0.00 C ATOM 709 CE2 PHE A 49 -6.022 -5.569 0.454 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.651 -5.343 1.691 1.00 0.00 C ATOM 0 H PHE A 49 -3.921 -8.145 0.721 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.079 -7.987 1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.931 -5.823 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.022 -5.968 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.023 -6.007 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.186 -6.121 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.416 -5.360 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.583 -5.469 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.688 -5.044 1.724 1.00 0.00 H new ATOM 720 N GLU A 50 -0.860 -8.583 3.664 1.00 0.00 N ATOM 721 CA GLU A 50 -0.673 -9.076 5.025 1.00 0.00 C ATOM 722 C GLU A 50 -0.373 -7.894 5.939 1.00 0.00 C ATOM 723 O GLU A 50 0.449 -7.061 5.569 1.00 0.00 O ATOM 724 CB GLU A 50 0.523 -10.029 5.061 1.00 0.00 C ATOM 725 CG GLU A 50 0.310 -11.268 4.183 1.00 0.00 C ATOM 726 CD GLU A 50 1.469 -12.244 4.337 1.00 0.00 C ATOM 727 OE1 GLU A 50 2.599 -11.834 3.993 1.00 0.00 O ATOM 728 OE2 GLU A 50 1.208 -13.368 4.818 1.00 0.00 O ATOM 0 H GLU A 50 0.017 -8.430 3.166 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.574 -9.595 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.416 -9.500 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.704 -10.342 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.624 -11.758 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.217 -10.968 3.139 1.00 0.00 H new ATOM 735 N GLU A 51 -0.993 -7.817 7.120 1.00 0.00 N ATOM 736 CA GLU A 51 -0.720 -6.764 8.076 1.00 0.00 C ATOM 737 C GLU A 51 0.655 -7.016 8.698 1.00 0.00 C ATOM 738 O GLU A 51 1.007 -8.150 9.017 1.00 0.00 O ATOM 739 CB GLU A 51 -1.853 -6.723 9.116 1.00 0.00 C ATOM 740 CG GLU A 51 -1.502 -5.776 10.261 1.00 0.00 C ATOM 741 CD GLU A 51 -2.694 -5.415 11.133 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.653 -4.846 10.568 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.616 -5.670 12.358 1.00 0.00 O ATOM 0 H GLU A 51 -1.696 -8.487 7.431 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.690 -5.785 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.778 -6.399 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.030 -7.725 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.734 -6.237 10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.073 -4.863 9.849 1.00 0.00 H new ATOM 750 N VAL A 52 1.423 -5.942 8.856 1.00 0.00 N ATOM 751 CA VAL A 52 2.721 -5.884 9.472 1.00 0.00 C ATOM 752 C VAL A 52 2.495 -5.229 10.836 1.00 0.00 C ATOM 753 O VAL A 52 2.234 -4.029 10.923 1.00 0.00 O ATOM 754 CB VAL A 52 3.613 -5.058 8.533 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.895 -4.611 9.222 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.963 -5.833 7.268 1.00 0.00 C ATOM 0 H VAL A 52 1.120 -5.025 8.527 1.00 0.00 H new ATOM 0 HA VAL A 52 3.209 -6.846 9.626 1.00 0.00 H new ATOM 0 HB VAL A 52 3.037 -4.175 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.499 -4.030 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.648 -3.997 10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.458 -5.486 9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.595 -5.218 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.497 -6.745 7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.048 -6.091 6.735 1.00 0.00 H new ATOM 766 N GLU A 53 2.547 -6.024 11.907 1.00 0.00 N ATOM 767 CA GLU A 53 2.227 -5.603 13.256 1.00 0.00 C ATOM 768 C GLU A 53 3.390 -4.885 13.949 1.00 0.00 C ATOM 769 O GLU A 53 3.789 -5.214 15.065 1.00 0.00 O ATOM 770 CB GLU A 53 1.719 -6.812 14.030 1.00 0.00 C ATOM 771 CG GLU A 53 2.678 -8.008 14.135 1.00 0.00 C ATOM 772 CD GLU A 53 2.037 -9.140 14.929 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.717 -8.893 16.112 1.00 0.00 O ATOM 774 OE2 GLU A 53 1.853 -10.221 14.331 1.00 0.00 O ATOM 0 H GLU A 53 2.822 -7.005 11.849 1.00 0.00 H new ATOM 0 HA GLU A 53 1.438 -4.851 13.220 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.464 -6.489 15.039 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.796 -7.154 13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.941 -8.359 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.605 -7.697 14.618 1.00 0.00 H new ATOM 781 N GLU A 54 3.887 -3.853 13.284 1.00 0.00 N ATOM 782 CA GLU A 54 4.939 -2.978 13.770 1.00 0.00 C ATOM 783 C GLU A 54 4.839 -1.620 13.075 1.00 0.00 C ATOM 784 O GLU A 54 5.653 -0.733 13.414 1.00 0.00 O ATOM 785 CB GLU A 54 6.322 -3.621 13.567 1.00 0.00 C ATOM 786 CG GLU A 54 6.570 -4.068 12.119 1.00 0.00 C ATOM 787 CD GLU A 54 8.035 -4.399 11.874 1.00 0.00 C ATOM 788 OE1 GLU A 54 8.497 -5.408 12.449 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.668 -3.625 11.121 1.00 0.00 O ATOM 790 OXT GLU A 54 3.996 -1.474 12.162 1.00 0.00 O ATOM 0 H GLU A 54 3.555 -3.594 12.355 1.00 0.00 H new ATOM 0 HA GLU A 54 4.812 -2.824 14.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.094 -2.909 13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.417 -4.482 14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.958 -4.942 11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.256 -3.279 11.436 1.00 0.00 H new