USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= -0.0197 (180deg=-0.0496) USER MOD Single : A 12 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5.2!) USER MOD Single : A 15 SER OG : rot -146:sc= -0.607 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.619 (180deg=-1.43) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.67!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.6!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.981! USER MOD Single : A 52 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.9!) USER MOD Single : A 53 SER OG : rot -19:sc= 0.751 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00618) USER MOD Single : A 58 GLN : amide:sc= -2.07! X(o=-2.1!,f=-1.8) USER MOD Single : A 61 GLN : amide:sc= -0.0933 X(o=-0.093,f=0) USER MOD Single : A 67 SER OG : rot 23:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.354 -12.654 1.126 1.00 0.00 N ATOM 20 CA ALA A 3 -1.766 -13.155 -0.174 1.00 0.00 C ATOM 21 C ALA A 3 -0.631 -12.946 -1.179 1.00 0.00 C ATOM 22 O ALA A 3 -0.785 -13.240 -2.363 1.00 0.00 O ATOM 23 CB ALA A 3 -3.060 -12.460 -0.603 1.00 0.00 C ATOM 0 HA ALA A 3 -1.971 -14.224 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.369 -12.836 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.842 -12.663 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.892 -11.385 -0.665 1.00 0.00 H new ATOM 29 N GLY A 4 0.483 -12.442 -0.669 1.00 0.00 N ATOM 30 CA GLY A 4 1.643 -12.191 -1.508 1.00 0.00 C ATOM 31 C GLY A 4 2.181 -10.776 -1.289 1.00 0.00 C ATOM 32 O GLY A 4 1.758 -10.081 -0.365 1.00 0.00 O ATOM 0 H GLY A 4 0.607 -12.201 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.423 -12.919 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.374 -12.324 -2.556 1.00 0.00 H new ATOM 36 N LYS A 5 3.107 -10.388 -2.155 1.00 0.00 N ATOM 37 CA LYS A 5 3.708 -9.069 -2.067 1.00 0.00 C ATOM 38 C LYS A 5 3.038 -8.140 -3.082 1.00 0.00 C ATOM 39 O LYS A 5 2.651 -8.575 -4.166 1.00 0.00 O ATOM 40 CB LYS A 5 5.227 -9.160 -2.226 1.00 0.00 C ATOM 41 CG LYS A 5 5.606 -9.546 -3.658 1.00 0.00 C ATOM 42 CD LYS A 5 7.046 -10.059 -3.723 1.00 0.00 C ATOM 43 CE LYS A 5 7.098 -11.471 -4.311 1.00 0.00 C ATOM 44 NZ LYS A 5 8.499 -11.873 -4.570 1.00 0.00 N ATOM 0 H LYS A 5 3.455 -10.965 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 5 3.540 -8.639 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.681 -8.202 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.626 -9.897 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.925 -10.315 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.494 -8.682 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.649 -9.385 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.481 -10.061 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.633 -12.176 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.526 -11.507 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.517 -12.833 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.931 -11.210 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.035 -11.858 -3.679 1.00 0.00 H new ATOM 58 N PHE A 6 2.921 -6.879 -2.695 1.00 0.00 N ATOM 59 CA PHE A 6 2.304 -5.885 -3.558 1.00 0.00 C ATOM 60 C PHE A 6 3.179 -4.635 -3.666 1.00 0.00 C ATOM 61 O PHE A 6 4.107 -4.452 -2.880 1.00 0.00 O ATOM 62 CB PHE A 6 0.968 -5.505 -2.918 1.00 0.00 C ATOM 63 CG PHE A 6 -0.043 -6.652 -2.860 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.239 -7.771 -2.143 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.225 -6.550 -3.526 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.699 -8.836 -2.089 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.163 -7.614 -3.471 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.881 -8.735 -2.755 1.00 0.00 C ATOM 0 H PHE A 6 3.243 -6.522 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 6 2.173 -6.292 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.151 -5.144 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.531 -4.677 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.177 -7.851 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.449 -5.660 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.474 -9.726 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.102 -7.533 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.595 -9.545 -2.715 1.00 0.00 H new ATOM 78 N ILE A 7 2.852 -3.805 -4.647 1.00 0.00 N ATOM 79 CA ILE A 7 3.595 -2.577 -4.868 1.00 0.00 C ATOM 80 C ILE A 7 2.618 -1.443 -5.182 1.00 0.00 C ATOM 81 O ILE A 7 2.201 -1.276 -6.326 1.00 0.00 O ATOM 82 CB ILE A 7 4.663 -2.784 -5.945 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.170 -4.228 -5.945 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.804 -1.776 -5.787 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.215 -4.441 -7.041 1.00 0.00 C ATOM 0 H ILE A 7 2.082 -3.960 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 7 4.135 -2.291 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 7 4.206 -2.603 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.603 -4.465 -4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.334 -4.911 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.549 -1.945 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.410 -0.764 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.267 -1.901 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.559 -5.475 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.772 -4.226 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.060 -3.774 -6.872 1.00 0.00 H new ATOM 97 N VAL A 8 2.281 -0.692 -4.144 1.00 0.00 N ATOM 98 CA VAL A 8 1.359 0.422 -4.293 1.00 0.00 C ATOM 99 C VAL A 8 2.115 1.735 -4.082 1.00 0.00 C ATOM 100 O VAL A 8 3.159 1.756 -3.431 1.00 0.00 O ATOM 101 CB VAL A 8 0.174 0.253 -3.339 1.00 0.00 C ATOM 102 CG1 VAL A 8 0.533 -0.677 -2.179 1.00 0.00 C ATOM 103 CG2 VAL A 8 -0.312 1.609 -2.825 1.00 0.00 C ATOM 0 H VAL A 8 2.630 -0.833 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 8 0.945 0.443 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.643 -0.207 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.326 -0.780 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.809 -1.656 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.372 -0.258 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.154 1.461 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.498 2.108 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.626 2.226 -3.667 1.00 0.00 H new ATOM 113 N ILE A 9 1.559 2.798 -4.643 1.00 0.00 N ATOM 114 CA ILE A 9 2.168 4.111 -4.525 1.00 0.00 C ATOM 115 C ILE A 9 1.096 5.133 -4.138 1.00 0.00 C ATOM 116 O ILE A 9 -0.091 4.809 -4.101 1.00 0.00 O ATOM 117 CB ILE A 9 2.923 4.471 -5.806 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.106 3.240 -6.697 1.00 0.00 C ATOM 119 CG2 ILE A 9 4.257 5.148 -5.484 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.073 2.240 -6.060 1.00 0.00 C ATOM 0 H ILE A 9 0.693 2.777 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 9 2.915 4.112 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 9 2.324 5.189 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.141 2.762 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.484 3.546 -7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.774 5.394 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.074 6.061 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.875 4.472 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.185 1.375 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.044 2.714 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.680 1.918 -5.096 1.00 0.00 H new ATOM 132 N PHE A 10 1.551 6.344 -3.858 1.00 0.00 N ATOM 133 CA PHE A 10 0.646 7.414 -3.474 1.00 0.00 C ATOM 134 C PHE A 10 0.800 8.622 -4.402 1.00 0.00 C ATOM 135 O PHE A 10 1.866 8.835 -4.978 1.00 0.00 O ATOM 136 CB PHE A 10 1.021 7.829 -2.050 1.00 0.00 C ATOM 137 CG PHE A 10 0.919 6.698 -1.026 1.00 0.00 C ATOM 138 CD1 PHE A 10 1.745 5.623 -1.116 1.00 0.00 C ATOM 139 CD2 PHE A 10 0.001 6.769 -0.024 1.00 0.00 C ATOM 140 CE1 PHE A 10 1.651 4.572 -0.164 1.00 0.00 C ATOM 141 CE2 PHE A 10 -0.094 5.719 0.928 1.00 0.00 C ATOM 142 CZ PHE A 10 0.733 4.643 0.837 1.00 0.00 C ATOM 0 H PHE A 10 2.535 6.609 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.386 7.069 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.041 8.213 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.372 8.647 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.473 5.567 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.655 7.624 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.308 3.718 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.822 5.775 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.661 3.844 1.560 1.00 0.00 H new ATOM 152 N LYS A 11 -0.281 9.381 -4.517 1.00 0.00 N ATOM 153 CA LYS A 11 -0.278 10.561 -5.364 1.00 0.00 C ATOM 154 C LYS A 11 0.631 11.625 -4.748 1.00 0.00 C ATOM 155 O LYS A 11 1.397 11.336 -3.830 1.00 0.00 O ATOM 156 CB LYS A 11 -1.709 11.044 -5.614 1.00 0.00 C ATOM 157 CG LYS A 11 -2.440 11.294 -4.293 1.00 0.00 C ATOM 158 CD LYS A 11 -3.725 12.093 -4.521 1.00 0.00 C ATOM 159 CE LYS A 11 -3.458 13.328 -5.385 1.00 0.00 C ATOM 160 NZ LYS A 11 -3.986 13.128 -6.752 1.00 0.00 N ATOM 0 H LYS A 11 -1.163 9.201 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 11 0.131 10.323 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.690 11.961 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.251 10.301 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.679 10.342 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.787 11.836 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.469 11.461 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.142 12.399 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.925 14.203 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.387 13.524 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.708 13.930 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.598 12.248 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.023 13.064 -6.718 1.00 0.00 H new ATOM 174 N ASN A 12 0.518 12.834 -5.278 1.00 0.00 N ATOM 175 CA ASN A 12 1.320 13.943 -4.791 1.00 0.00 C ATOM 176 C ASN A 12 0.471 14.814 -3.863 1.00 0.00 C ATOM 177 O ASN A 12 0.601 16.036 -3.860 1.00 0.00 O ATOM 178 CB ASN A 12 1.807 14.819 -5.946 1.00 0.00 C ATOM 179 CG ASN A 12 0.662 15.656 -6.520 1.00 0.00 C ATOM 180 OD1 ASN A 12 -0.501 15.462 -6.206 1.00 0.00 O ATOM 181 ND2 ASN A 12 1.055 16.593 -7.378 1.00 0.00 N ATOM 0 H ASN A 12 -0.117 13.070 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 12 2.180 13.530 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.604 15.476 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.231 14.191 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.366 17.203 -7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.045 16.701 -7.596 1.00 0.00 H new ATOM 188 N ASP A 13 -0.381 14.149 -3.096 1.00 0.00 N ATOM 189 CA ASP A 13 -1.252 14.847 -2.166 1.00 0.00 C ATOM 190 C ASP A 13 -1.071 14.257 -0.765 1.00 0.00 C ATOM 191 O ASP A 13 -1.009 14.994 0.219 1.00 0.00 O ATOM 192 CB ASP A 13 -2.722 14.685 -2.560 1.00 0.00 C ATOM 193 CG ASP A 13 -3.312 15.857 -3.347 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.767 16.143 -4.434 1.00 0.00 O ATOM 195 OD2 ASP A 13 -4.297 16.440 -2.842 1.00 0.00 O ATOM 0 H ASP A 13 -0.486 13.134 -3.100 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.988 15.904 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.825 13.778 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.312 14.541 -1.655 1.00 0.00 H new ATOM 200 N VAL A 14 -0.990 12.936 -0.719 1.00 0.00 N ATOM 201 CA VAL A 14 -0.818 12.241 0.545 1.00 0.00 C ATOM 202 C VAL A 14 0.118 13.050 1.444 1.00 0.00 C ATOM 203 O VAL A 14 0.981 13.777 0.954 1.00 0.00 O ATOM 204 CB VAL A 14 -0.321 10.815 0.294 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.701 10.784 -0.844 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.260 10.205 1.571 1.00 0.00 C ATOM 0 H VAL A 14 -1.040 12.328 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.772 12.153 1.065 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.176 10.209 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.038 9.760 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.240 11.159 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.554 11.411 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.606 9.192 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.098 10.812 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.509 10.176 2.343 1.00 0.00 H new ATOM 216 N SER A 15 -0.084 12.898 2.745 1.00 0.00 N ATOM 217 CA SER A 15 0.731 13.606 3.717 1.00 0.00 C ATOM 218 C SER A 15 1.937 12.751 4.110 1.00 0.00 C ATOM 219 O SER A 15 2.041 11.594 3.706 1.00 0.00 O ATOM 220 CB SER A 15 -0.086 13.975 4.957 1.00 0.00 C ATOM 221 OG SER A 15 0.389 13.312 6.126 1.00 0.00 O ATOM 0 H SER A 15 -0.801 12.295 3.148 1.00 0.00 H new ATOM 0 HA SER A 15 1.083 14.531 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.046 15.053 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.132 13.715 4.793 1.00 0.00 H new ATOM 0 HG SER A 15 -0.366 13.110 6.717 1.00 0.00 H new ATOM 227 N GLU A 16 2.818 13.353 4.897 1.00 0.00 N ATOM 228 CA GLU A 16 4.012 12.660 5.350 1.00 0.00 C ATOM 229 C GLU A 16 3.651 11.614 6.406 1.00 0.00 C ATOM 230 O GLU A 16 3.886 10.423 6.211 1.00 0.00 O ATOM 231 CB GLU A 16 5.047 13.649 5.890 1.00 0.00 C ATOM 232 CG GLU A 16 6.335 13.600 5.064 1.00 0.00 C ATOM 233 CD GLU A 16 6.909 15.004 4.860 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.115 15.894 4.486 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.130 15.156 5.085 1.00 0.00 O ATOM 0 H GLU A 16 2.728 14.312 5.232 1.00 0.00 H new ATOM 0 HA GLU A 16 4.457 12.147 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.636 14.658 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.269 13.416 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.070 12.972 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.133 13.141 4.096 1.00 0.00 H new ATOM 242 N ASP A 17 3.085 12.097 7.502 1.00 0.00 N ATOM 243 CA ASP A 17 2.688 11.219 8.590 1.00 0.00 C ATOM 244 C ASP A 17 1.681 10.192 8.068 1.00 0.00 C ATOM 245 O ASP A 17 1.612 9.072 8.574 1.00 0.00 O ATOM 246 CB ASP A 17 2.020 12.006 9.718 1.00 0.00 C ATOM 247 CG ASP A 17 1.957 11.280 11.064 1.00 0.00 C ATOM 248 OD1 ASP A 17 1.740 10.051 11.035 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.127 11.973 12.090 1.00 0.00 O ATOM 0 H ASP A 17 2.892 13.086 7.660 1.00 0.00 H new ATOM 0 HA ASP A 17 3.584 10.731 8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.557 12.945 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.005 12.261 9.412 1.00 0.00 H new ATOM 254 N LYS A 18 0.924 10.611 7.065 1.00 0.00 N ATOM 255 CA LYS A 18 -0.077 9.741 6.470 1.00 0.00 C ATOM 256 C LYS A 18 0.616 8.538 5.827 1.00 0.00 C ATOM 257 O LYS A 18 0.191 7.399 6.013 1.00 0.00 O ATOM 258 CB LYS A 18 -0.965 10.528 5.505 1.00 0.00 C ATOM 259 CG LYS A 18 -2.366 10.727 6.086 1.00 0.00 C ATOM 260 CD LYS A 18 -3.398 9.893 5.327 1.00 0.00 C ATOM 261 CE LYS A 18 -4.800 10.095 5.906 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.185 8.938 6.746 1.00 0.00 N ATOM 0 H LYS A 18 0.983 11.541 6.649 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.747 9.351 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.512 11.498 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.034 9.999 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.370 10.446 7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.638 11.781 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.392 10.172 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.128 8.838 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.826 11.008 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.520 10.220 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.139 9.091 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.179 8.073 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.508 8.837 7.529 1.00 0.00 H new ATOM 276 N ILE A 19 1.671 8.833 5.081 1.00 0.00 N ATOM 277 CA ILE A 19 2.427 7.790 4.408 1.00 0.00 C ATOM 278 C ILE A 19 2.853 6.734 5.431 1.00 0.00 C ATOM 279 O ILE A 19 2.507 5.562 5.299 1.00 0.00 O ATOM 280 CB ILE A 19 3.595 8.395 3.627 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.410 8.191 2.121 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.932 7.837 4.120 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.430 9.012 1.328 1.00 0.00 C ATOM 0 H ILE A 19 2.020 9.779 4.928 1.00 0.00 H new ATOM 0 HA ILE A 19 1.805 7.286 3.668 1.00 0.00 H new ATOM 0 HB ILE A 19 3.608 9.470 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.520 7.134 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.400 8.482 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.746 8.283 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.058 8.074 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.946 6.755 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.277 8.849 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.302 10.070 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.438 8.702 1.602 1.00 0.00 H new ATOM 295 N ARG A 20 3.597 7.189 6.428 1.00 0.00 N ATOM 296 CA ARG A 20 4.073 6.299 7.473 1.00 0.00 C ATOM 297 C ARG A 20 2.896 5.577 8.134 1.00 0.00 C ATOM 298 O ARG A 20 3.026 4.431 8.560 1.00 0.00 O ATOM 299 CB ARG A 20 4.854 7.068 8.540 1.00 0.00 C ATOM 300 CG ARG A 20 6.272 7.387 8.059 1.00 0.00 C ATOM 301 CD ARG A 20 6.827 8.622 8.769 1.00 0.00 C ATOM 302 NE ARG A 20 7.663 8.213 9.920 1.00 0.00 N ATOM 303 CZ ARG A 20 7.180 7.939 11.140 1.00 0.00 C ATOM 304 NH1 ARG A 20 5.864 8.031 11.375 1.00 0.00 N ATOM 305 NH2 ARG A 20 8.013 7.573 12.123 1.00 0.00 N ATOM 0 H ARG A 20 3.882 8.163 6.534 1.00 0.00 H new ATOM 0 HA ARG A 20 4.737 5.570 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.331 7.993 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.901 6.480 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.923 6.533 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.265 7.555 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.419 9.216 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.007 9.254 9.111 1.00 0.00 H new ATOM 0 HE ARG A 20 8.670 8.135 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.230 8.309 10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.496 7.823 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.015 7.503 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.646 7.364 13.051 1.00 0.00 H new ATOM 319 N GLU A 21 1.775 6.280 8.198 1.00 0.00 N ATOM 320 CA GLU A 21 0.576 5.721 8.799 1.00 0.00 C ATOM 321 C GLU A 21 0.069 4.537 7.973 1.00 0.00 C ATOM 322 O GLU A 21 0.087 3.399 8.438 1.00 0.00 O ATOM 323 CB GLU A 21 -0.510 6.789 8.951 1.00 0.00 C ATOM 324 CG GLU A 21 -0.266 7.648 10.193 1.00 0.00 C ATOM 325 CD GLU A 21 -1.463 7.593 11.142 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.624 6.537 11.793 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.192 8.607 11.196 1.00 0.00 O ATOM 0 H GLU A 21 1.672 7.231 7.844 1.00 0.00 H new ATOM 0 HA GLU A 21 0.828 5.361 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.528 7.423 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.487 6.311 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.628 7.300 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.081 8.680 9.895 1.00 0.00 H new ATOM 334 N THR A 22 -0.371 4.847 6.762 1.00 0.00 N ATOM 335 CA THR A 22 -0.882 3.823 5.868 1.00 0.00 C ATOM 336 C THR A 22 -0.044 2.548 5.983 1.00 0.00 C ATOM 337 O THR A 22 -0.586 1.443 5.979 1.00 0.00 O ATOM 338 CB THR A 22 -0.910 4.403 4.452 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.064 5.240 4.443 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.210 3.344 3.390 1.00 0.00 C ATOM 0 H THR A 22 -0.384 5.793 6.380 1.00 0.00 H new ATOM 0 HA THR A 22 -1.898 3.534 6.138 1.00 0.00 H new ATOM 0 HB THR A 22 0.049 4.873 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.158 5.658 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.218 3.809 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.442 2.571 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.184 2.896 3.588 1.00 0.00 H new ATOM 348 N LYS A 23 1.262 2.742 6.085 1.00 0.00 N ATOM 349 CA LYS A 23 2.179 1.622 6.201 1.00 0.00 C ATOM 350 C LYS A 23 1.909 0.881 7.513 1.00 0.00 C ATOM 351 O LYS A 23 1.672 -0.326 7.511 1.00 0.00 O ATOM 352 CB LYS A 23 3.627 2.096 6.051 1.00 0.00 C ATOM 353 CG LYS A 23 4.116 1.914 4.613 1.00 0.00 C ATOM 354 CD LYS A 23 3.647 3.068 3.724 1.00 0.00 C ATOM 355 CE LYS A 23 4.823 3.959 3.317 1.00 0.00 C ATOM 356 NZ LYS A 23 4.437 4.847 2.197 1.00 0.00 N ATOM 0 H LYS A 23 1.707 3.660 6.090 1.00 0.00 H new ATOM 0 HA LYS A 23 2.015 0.911 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.701 3.146 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.269 1.536 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.205 1.859 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.744 0.970 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.161 2.671 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.903 3.662 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.145 4.558 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.671 3.340 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.060 5.680 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.529 4.332 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.451 5.154 2.321 1.00 0.00 H new ATOM 370 N ASP A 24 1.951 1.636 8.601 1.00 0.00 N ATOM 371 CA ASP A 24 1.713 1.066 9.917 1.00 0.00 C ATOM 372 C ASP A 24 0.309 0.459 9.958 1.00 0.00 C ATOM 373 O ASP A 24 0.106 -0.605 10.540 1.00 0.00 O ATOM 374 CB ASP A 24 1.796 2.139 11.004 1.00 0.00 C ATOM 375 CG ASP A 24 3.120 2.181 11.771 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.422 1.168 12.436 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.799 3.227 11.674 1.00 0.00 O ATOM 0 H ASP A 24 2.146 2.637 8.599 1.00 0.00 H new ATOM 0 HA ASP A 24 2.474 0.308 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.628 3.113 10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.986 1.978 11.715 1.00 0.00 H new ATOM 382 N GLU A 25 -0.624 1.163 9.333 1.00 0.00 N ATOM 383 CA GLU A 25 -2.002 0.706 9.291 1.00 0.00 C ATOM 384 C GLU A 25 -2.077 -0.704 8.702 1.00 0.00 C ATOM 385 O GLU A 25 -2.916 -1.508 9.109 1.00 0.00 O ATOM 386 CB GLU A 25 -2.878 1.678 8.499 1.00 0.00 C ATOM 387 CG GLU A 25 -4.006 2.235 9.369 1.00 0.00 C ATOM 388 CD GLU A 25 -3.743 3.696 9.739 1.00 0.00 C ATOM 389 OE1 GLU A 25 -3.764 4.530 8.809 1.00 0.00 O ATOM 390 OE2 GLU A 25 -3.527 3.946 10.945 1.00 0.00 O ATOM 0 H GLU A 25 -0.452 2.046 8.852 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.384 0.673 10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.267 2.498 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.300 1.169 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.954 2.156 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.099 1.638 10.276 1.00 0.00 H new ATOM 397 N VAL A 26 -1.190 -0.963 7.754 1.00 0.00 N ATOM 398 CA VAL A 26 -1.144 -2.262 7.105 1.00 0.00 C ATOM 399 C VAL A 26 -0.389 -3.247 7.999 1.00 0.00 C ATOM 400 O VAL A 26 -0.798 -4.398 8.144 1.00 0.00 O ATOM 401 CB VAL A 26 -0.530 -2.129 5.710 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.890 -2.698 5.679 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.413 -2.801 4.656 1.00 0.00 C ATOM 0 H VAL A 26 -0.496 -0.295 7.419 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.151 -2.655 6.966 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.471 -1.067 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.303 -2.591 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.515 -2.156 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.865 -3.753 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.954 -2.692 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.519 -3.860 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.396 -2.330 4.651 1.00 0.00 H new ATOM 413 N ILE A 27 0.701 -2.760 8.574 1.00 0.00 N ATOM 414 CA ILE A 27 1.518 -3.583 9.450 1.00 0.00 C ATOM 415 C ILE A 27 0.638 -4.172 10.555 1.00 0.00 C ATOM 416 O ILE A 27 0.677 -5.375 10.810 1.00 0.00 O ATOM 417 CB ILE A 27 2.713 -2.786 9.974 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.551 -2.231 8.820 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.553 -3.626 10.938 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.692 -3.184 8.462 1.00 0.00 C ATOM 0 H ILE A 27 1.038 -1.805 8.450 1.00 0.00 H new ATOM 0 HA ILE A 27 1.942 -4.422 8.898 1.00 0.00 H new ATOM 0 HB ILE A 27 2.333 -1.933 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.916 -2.074 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.958 -1.259 9.097 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.396 -3.035 11.296 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.939 -3.931 11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.924 -4.511 10.421 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.271 -2.765 7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.339 -3.319 9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.281 -4.148 8.162 1.00 0.00 H new ATOM 432 N ALA A 28 -0.134 -3.296 11.182 1.00 0.00 N ATOM 433 CA ALA A 28 -1.021 -3.714 12.255 1.00 0.00 C ATOM 434 C ALA A 28 -2.214 -4.466 11.660 1.00 0.00 C ATOM 435 O ALA A 28 -2.521 -5.581 12.079 1.00 0.00 O ATOM 436 CB ALA A 28 -1.450 -2.491 13.068 1.00 0.00 C ATOM 0 H ALA A 28 -0.164 -2.299 10.968 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.508 -4.394 12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.115 -2.804 13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.569 -2.009 13.492 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.972 -1.787 12.419 1.00 0.00 H new ATOM 442 N GLU A 29 -2.854 -3.826 10.693 1.00 0.00 N ATOM 443 CA GLU A 29 -4.006 -4.420 10.036 1.00 0.00 C ATOM 444 C GLU A 29 -3.707 -5.869 9.649 1.00 0.00 C ATOM 445 O GLU A 29 -4.237 -6.800 10.256 1.00 0.00 O ATOM 446 CB GLU A 29 -4.424 -3.600 8.813 1.00 0.00 C ATOM 447 CG GLU A 29 -5.491 -4.335 7.999 1.00 0.00 C ATOM 448 CD GLU A 29 -6.368 -3.348 7.227 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.327 -2.839 7.845 1.00 0.00 O ATOM 450 OE2 GLU A 29 -6.059 -3.124 6.036 1.00 0.00 O ATOM 0 H GLU A 29 -2.597 -2.901 10.348 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.841 -4.417 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.809 -2.632 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.554 -3.405 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.012 -5.023 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.112 -4.935 8.664 1.00 0.00 H new ATOM 457 N GLY A 30 -2.859 -6.016 8.642 1.00 0.00 N ATOM 458 CA GLY A 30 -2.484 -7.337 8.166 1.00 0.00 C ATOM 459 C GLY A 30 -1.195 -7.278 7.344 1.00 0.00 C ATOM 460 O GLY A 30 -0.148 -7.747 7.789 1.00 0.00 O ATOM 0 H GLY A 30 -2.421 -5.242 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.348 -8.008 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.289 -7.750 7.558 1.00 0.00 H new ATOM 464 N GLY A 31 -1.313 -6.697 6.159 1.00 0.00 N ATOM 465 CA GLY A 31 -0.170 -6.571 5.270 1.00 0.00 C ATOM 466 C GLY A 31 1.081 -6.149 6.043 1.00 0.00 C ATOM 467 O GLY A 31 0.990 -5.722 7.194 1.00 0.00 O ATOM 0 H GLY A 31 -2.182 -6.308 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.012 -7.521 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.387 -5.837 4.494 1.00 0.00 H new ATOM 471 N THR A 32 2.221 -6.283 5.381 1.00 0.00 N ATOM 472 CA THR A 32 3.489 -5.921 5.990 1.00 0.00 C ATOM 473 C THR A 32 4.299 -5.030 5.047 1.00 0.00 C ATOM 474 O THR A 32 3.819 -4.652 3.979 1.00 0.00 O ATOM 475 CB THR A 32 4.213 -7.212 6.379 1.00 0.00 C ATOM 476 OG1 THR A 32 3.160 -8.109 6.725 1.00 0.00 O ATOM 477 CG2 THR A 32 5.017 -7.065 7.673 1.00 0.00 C ATOM 0 H THR A 32 2.293 -6.638 4.427 1.00 0.00 H new ATOM 0 HA THR A 32 3.339 -5.331 6.894 1.00 0.00 H new ATOM 0 HB THR A 32 4.879 -7.513 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.540 -8.973 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.511 -8.009 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.767 -6.284 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.346 -6.797 8.490 1.00 0.00 H new ATOM 485 N ILE A 33 5.514 -4.721 5.475 1.00 0.00 N ATOM 486 CA ILE A 33 6.396 -3.882 4.682 1.00 0.00 C ATOM 487 C ILE A 33 7.824 -4.425 4.767 1.00 0.00 C ATOM 488 O ILE A 33 8.343 -4.647 5.860 1.00 0.00 O ATOM 489 CB ILE A 33 6.270 -2.418 5.109 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.814 -1.952 5.044 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.194 -1.523 4.281 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.328 -1.869 3.594 1.00 0.00 C ATOM 0 H ILE A 33 5.909 -5.037 6.361 1.00 0.00 H new ATOM 0 HA ILE A 33 6.105 -3.911 3.632 1.00 0.00 H new ATOM 0 HB ILE A 33 6.589 -2.337 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.182 -2.642 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.719 -0.976 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.084 -0.488 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.228 -1.839 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.929 -1.603 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.290 -1.535 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.946 -1.160 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.401 -2.852 3.129 1.00 0.00 H new ATOM 504 N THR A 34 8.417 -4.625 3.600 1.00 0.00 N ATOM 505 CA THR A 34 9.775 -5.138 3.528 1.00 0.00 C ATOM 506 C THR A 34 10.715 -4.080 2.951 1.00 0.00 C ATOM 507 O THR A 34 11.894 -4.034 3.301 1.00 0.00 O ATOM 508 CB THR A 34 9.747 -6.436 2.718 1.00 0.00 C ATOM 509 OG1 THR A 34 10.989 -7.063 3.024 1.00 0.00 O ATOM 510 CG2 THR A 34 9.819 -6.185 1.210 1.00 0.00 C ATOM 0 H THR A 34 7.982 -4.441 2.696 1.00 0.00 H new ATOM 0 HA THR A 34 10.166 -5.366 4.520 1.00 0.00 H new ATOM 0 HB THR A 34 8.838 -6.991 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.054 -7.913 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.796 -7.138 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.968 -5.578 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.744 -5.660 0.972 1.00 0.00 H new ATOM 518 N ASN A 35 10.161 -3.256 2.074 1.00 0.00 N ATOM 519 CA ASN A 35 10.936 -2.200 1.444 1.00 0.00 C ATOM 520 C ASN A 35 10.016 -1.023 1.118 1.00 0.00 C ATOM 521 O ASN A 35 8.800 -1.186 1.033 1.00 0.00 O ATOM 522 CB ASN A 35 11.566 -2.686 0.137 1.00 0.00 C ATOM 523 CG ASN A 35 13.019 -3.108 0.352 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.377 -3.707 1.353 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.836 -2.765 -0.641 1.00 0.00 N ATOM 0 H ASN A 35 9.184 -3.298 1.784 1.00 0.00 H new ATOM 0 HA ASN A 35 11.724 -1.901 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.994 -3.527 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.521 -1.893 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.827 -3.003 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.472 -2.264 -1.451 1.00 0.00 H new ATOM 532 N GLU A 36 10.631 0.138 0.943 1.00 0.00 N ATOM 533 CA GLU A 36 9.882 1.343 0.628 1.00 0.00 C ATOM 534 C GLU A 36 10.542 2.088 -0.534 1.00 0.00 C ATOM 535 O GLU A 36 11.680 1.796 -0.897 1.00 0.00 O ATOM 536 CB GLU A 36 9.753 2.245 1.857 1.00 0.00 C ATOM 537 CG GLU A 36 10.936 3.210 1.956 1.00 0.00 C ATOM 538 CD GLU A 36 12.240 2.453 2.223 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.660 1.708 1.311 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.786 2.638 3.331 1.00 0.00 O ATOM 0 H GLU A 36 11.640 0.270 1.013 1.00 0.00 H new ATOM 0 HA GLU A 36 8.876 1.054 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.822 2.810 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.702 1.633 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.024 3.779 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.758 3.929 2.756 1.00 0.00 H new ATOM 547 N TYR A 37 9.798 3.038 -1.083 1.00 0.00 N ATOM 548 CA TYR A 37 10.297 3.828 -2.196 1.00 0.00 C ATOM 549 C TYR A 37 10.224 5.324 -1.882 1.00 0.00 C ATOM 550 O TYR A 37 9.185 5.953 -2.081 1.00 0.00 O ATOM 551 CB TYR A 37 9.375 3.520 -3.377 1.00 0.00 C ATOM 552 CG TYR A 37 9.505 2.093 -3.913 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.624 1.725 -4.631 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.503 1.175 -3.678 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.747 0.382 -5.136 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.624 -0.169 -4.183 1.00 0.00 C ATOM 557 CZ TYR A 37 9.740 -0.498 -4.887 1.00 0.00 C ATOM 558 OH TYR A 37 9.855 -1.767 -5.363 1.00 0.00 O ATOM 0 H TYR A 37 8.855 3.278 -0.778 1.00 0.00 H new ATOM 0 HA TYR A 37 11.339 3.584 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.342 3.690 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.589 4.221 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.408 2.445 -4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.627 1.464 -3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.618 0.081 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.847 -0.898 -4.007 1.00 0.00 H new ATOM 0 HH TYR A 37 9.063 -2.285 -5.109 1.00 0.00 H new ATOM 568 N ASN A 38 11.339 5.850 -1.398 1.00 0.00 N ATOM 569 CA ASN A 38 11.414 7.259 -1.055 1.00 0.00 C ATOM 570 C ASN A 38 12.265 7.989 -2.097 1.00 0.00 C ATOM 571 O ASN A 38 13.270 8.612 -1.758 1.00 0.00 O ATOM 572 CB ASN A 38 12.069 7.459 0.313 1.00 0.00 C ATOM 573 CG ASN A 38 11.625 6.376 1.297 1.00 0.00 C ATOM 574 OD1 ASN A 38 10.492 5.920 1.290 1.00 0.00 O ATOM 575 ND2 ASN A 38 12.575 5.989 2.142 1.00 0.00 N ATOM 0 H ASN A 38 12.198 5.325 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 38 10.398 7.654 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.154 7.437 0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.807 8.442 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.377 5.270 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.502 6.411 2.095 1.00 0.00 H new ATOM 582 N MET A 39 11.830 7.887 -3.345 1.00 0.00 N ATOM 583 CA MET A 39 12.539 8.529 -4.438 1.00 0.00 C ATOM 584 C MET A 39 11.889 9.865 -4.805 1.00 0.00 C ATOM 585 O MET A 39 10.759 10.139 -4.402 1.00 0.00 O ATOM 586 CB MET A 39 12.536 7.607 -5.660 1.00 0.00 C ATOM 587 CG MET A 39 13.937 7.055 -5.934 1.00 0.00 C ATOM 588 SD MET A 39 14.234 6.989 -7.693 1.00 0.00 S ATOM 589 CE MET A 39 13.704 5.319 -8.033 1.00 0.00 C ATOM 0 H MET A 39 10.996 7.370 -3.623 1.00 0.00 H new ATOM 0 HA MET A 39 13.563 8.721 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.842 6.783 -5.496 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.180 8.155 -6.533 1.00 0.00 H new ATOM 0 HG2 MET A 39 14.685 7.685 -5.454 1.00 0.00 H new ATOM 0 HG3 MET A 39 14.035 6.059 -5.503 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.823 5.109 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.309 4.620 -7.455 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.656 5.206 -7.756 1.00 0.00 H new ATOM 599 N PRO A 40 12.648 10.679 -5.585 1.00 0.00 N ATOM 600 CA PRO A 40 12.157 11.979 -6.009 1.00 0.00 C ATOM 601 C PRO A 40 11.113 11.835 -7.118 1.00 0.00 C ATOM 602 O PRO A 40 11.427 11.996 -8.297 1.00 0.00 O ATOM 603 CB PRO A 40 13.396 12.741 -6.455 1.00 0.00 C ATOM 604 CG PRO A 40 14.465 11.690 -6.701 1.00 0.00 C ATOM 605 CD PRO A 40 13.990 10.386 -6.080 1.00 0.00 C ATOM 0 HA PRO A 40 11.641 12.515 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.197 13.315 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.714 13.451 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.637 11.563 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.413 11.999 -6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.974 9.580 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.650 10.069 -5.272 1.00 0.00 H new ATOM 613 N GLY A 41 9.892 11.534 -6.702 1.00 0.00 N ATOM 614 CA GLY A 41 8.800 11.366 -7.644 1.00 0.00 C ATOM 615 C GLY A 41 8.123 10.006 -7.464 1.00 0.00 C ATOM 616 O GLY A 41 7.133 9.707 -8.131 1.00 0.00 O ATOM 0 H GLY A 41 9.635 11.402 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.068 12.162 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.177 11.456 -8.663 1.00 0.00 H new ATOM 620 N MET A 42 8.683 9.218 -6.559 1.00 0.00 N ATOM 621 CA MET A 42 8.148 7.896 -6.282 1.00 0.00 C ATOM 622 C MET A 42 7.884 7.713 -4.786 1.00 0.00 C ATOM 623 O MET A 42 8.750 7.234 -4.054 1.00 0.00 O ATOM 624 CB MET A 42 9.137 6.832 -6.760 1.00 0.00 C ATOM 625 CG MET A 42 8.419 5.520 -7.081 1.00 0.00 C ATOM 626 SD MET A 42 9.284 4.653 -8.380 1.00 0.00 S ATOM 627 CE MET A 42 8.833 2.972 -7.985 1.00 0.00 C ATOM 0 H MET A 42 9.503 9.470 -6.007 1.00 0.00 H new ATOM 0 HA MET A 42 7.203 7.790 -6.814 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.661 7.190 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.891 6.660 -5.992 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.367 4.897 -6.188 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.393 5.723 -7.388 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.292 2.294 -8.704 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.182 2.728 -6.982 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.749 2.866 -8.028 1.00 0.00 H new ATOM 637 N LYS A 43 6.687 8.104 -4.375 1.00 0.00 N ATOM 638 CA LYS A 43 6.300 7.990 -2.980 1.00 0.00 C ATOM 639 C LYS A 43 5.447 6.733 -2.793 1.00 0.00 C ATOM 640 O LYS A 43 4.241 6.825 -2.568 1.00 0.00 O ATOM 641 CB LYS A 43 5.616 9.274 -2.506 1.00 0.00 C ATOM 642 CG LYS A 43 6.645 10.371 -2.225 1.00 0.00 C ATOM 643 CD LYS A 43 6.038 11.484 -1.367 1.00 0.00 C ATOM 644 CE LYS A 43 5.634 12.682 -2.230 1.00 0.00 C ATOM 645 NZ LYS A 43 5.911 13.950 -1.518 1.00 0.00 N ATOM 0 H LYS A 43 5.972 8.501 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 43 7.181 7.875 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.912 9.616 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.039 9.071 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.508 9.943 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.005 10.787 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.166 11.104 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.758 11.801 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.181 12.660 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.574 12.620 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.631 14.753 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.370 13.975 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.927 14.014 -1.306 1.00 0.00 H new ATOM 659 N GLY A 44 6.106 5.589 -2.893 1.00 0.00 N ATOM 660 CA GLY A 44 5.423 4.316 -2.737 1.00 0.00 C ATOM 661 C GLY A 44 6.217 3.375 -1.830 1.00 0.00 C ATOM 662 O GLY A 44 7.182 3.790 -1.190 1.00 0.00 O ATOM 0 H GLY A 44 7.106 5.516 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.431 4.481 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.282 3.853 -3.714 1.00 0.00 H new ATOM 666 N PHE A 45 5.781 2.123 -1.802 1.00 0.00 N ATOM 667 CA PHE A 45 6.440 1.120 -0.984 1.00 0.00 C ATOM 668 C PHE A 45 6.139 -0.290 -1.496 1.00 0.00 C ATOM 669 O PHE A 45 5.228 -0.480 -2.302 1.00 0.00 O ATOM 670 CB PHE A 45 5.883 1.264 0.435 1.00 0.00 C ATOM 671 CG PHE A 45 4.473 0.697 0.609 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.271 -0.648 0.573 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.421 1.537 0.800 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.962 -1.174 0.735 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.112 1.012 0.963 1.00 0.00 C ATOM 676 CZ PHE A 45 1.910 -0.334 0.927 1.00 0.00 C ATOM 0 H PHE A 45 4.980 1.782 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 45 7.520 1.266 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.554 0.761 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.875 2.320 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.106 -1.316 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.581 2.605 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.802 -2.242 0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.277 1.680 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.915 -0.734 1.051 1.00 0.00 H new ATOM 686 N ALA A 46 6.920 -1.242 -1.009 1.00 0.00 N ATOM 687 CA ALA A 46 6.749 -2.628 -1.407 1.00 0.00 C ATOM 688 C ALA A 46 6.819 -3.524 -0.169 1.00 0.00 C ATOM 689 O ALA A 46 7.644 -3.301 0.715 1.00 0.00 O ATOM 690 CB ALA A 46 7.805 -2.994 -2.452 1.00 0.00 C ATOM 0 H ALA A 46 7.674 -1.080 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 46 5.771 -2.776 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.676 -4.034 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.693 -2.350 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.800 -2.859 -2.027 1.00 0.00 H new ATOM 696 N GLY A 47 5.942 -4.517 -0.145 1.00 0.00 N ATOM 697 CA GLY A 47 5.895 -5.447 0.970 1.00 0.00 C ATOM 698 C GLY A 47 4.787 -6.483 0.774 1.00 0.00 C ATOM 699 O GLY A 47 4.489 -6.872 -0.354 1.00 0.00 O ATOM 0 H GLY A 47 5.258 -4.698 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.856 -5.952 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.726 -4.900 1.898 1.00 0.00 H new ATOM 703 N GLU A 48 4.207 -6.901 1.890 1.00 0.00 N ATOM 704 CA GLU A 48 3.137 -7.884 1.854 1.00 0.00 C ATOM 705 C GLU A 48 1.779 -7.198 2.008 1.00 0.00 C ATOM 706 O GLU A 48 1.629 -6.283 2.817 1.00 0.00 O ATOM 707 CB GLU A 48 3.337 -8.950 2.933 1.00 0.00 C ATOM 708 CG GLU A 48 3.791 -10.275 2.317 1.00 0.00 C ATOM 709 CD GLU A 48 4.396 -11.196 3.380 1.00 0.00 C ATOM 710 OE1 GLU A 48 3.597 -11.809 4.120 1.00 0.00 O ATOM 711 OE2 GLU A 48 5.643 -11.264 3.428 1.00 0.00 O ATOM 0 H GLU A 48 4.458 -6.577 2.824 1.00 0.00 H new ATOM 0 HA GLU A 48 3.162 -8.383 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.078 -8.607 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.406 -9.099 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.943 -10.769 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.526 -10.084 1.535 1.00 0.00 H new ATOM 718 N LEU A 49 0.824 -7.663 1.217 1.00 0.00 N ATOM 719 CA LEU A 49 -0.518 -7.106 1.254 1.00 0.00 C ATOM 720 C LEU A 49 -1.539 -8.233 1.090 1.00 0.00 C ATOM 721 O LEU A 49 -1.195 -9.408 1.205 1.00 0.00 O ATOM 722 CB LEU A 49 -0.663 -5.989 0.220 1.00 0.00 C ATOM 723 CG LEU A 49 -0.597 -4.559 0.761 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.792 -4.247 1.320 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.027 -3.549 -0.304 1.00 0.00 C ATOM 0 H LEU A 49 0.953 -8.420 0.546 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.710 -6.641 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.121 -6.110 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.616 -6.118 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.302 -4.474 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.811 -3.225 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.021 -4.938 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.535 -4.356 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.971 -2.541 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.366 -3.627 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.051 -3.759 -0.612 1.00 0.00 H new ATOM 737 N THR A 50 -2.774 -7.835 0.822 1.00 0.00 N ATOM 738 CA THR A 50 -3.848 -8.797 0.640 1.00 0.00 C ATOM 739 C THR A 50 -5.019 -8.154 -0.105 1.00 0.00 C ATOM 740 O THR A 50 -4.947 -6.990 -0.495 1.00 0.00 O ATOM 741 CB THR A 50 -4.229 -9.344 2.016 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.329 -8.696 2.911 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.900 -10.831 2.168 1.00 0.00 C ATOM 0 H THR A 50 -3.055 -6.859 0.726 1.00 0.00 H new ATOM 0 HA THR A 50 -3.530 -9.634 0.018 1.00 0.00 H new ATOM 0 HB THR A 50 -5.295 -9.189 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.508 -8.993 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.191 -11.168 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.445 -11.403 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.829 -10.982 2.032 1.00 0.00 H new ATOM 751 N PRO A 51 -6.098 -8.961 -0.285 1.00 0.00 N ATOM 752 CA PRO A 51 -7.284 -8.484 -0.976 1.00 0.00 C ATOM 753 C PRO A 51 -8.095 -7.540 -0.085 1.00 0.00 C ATOM 754 O PRO A 51 -8.772 -6.641 -0.582 1.00 0.00 O ATOM 755 CB PRO A 51 -8.048 -9.740 -1.361 1.00 0.00 C ATOM 756 CG PRO A 51 -7.505 -10.847 -0.472 1.00 0.00 C ATOM 757 CD PRO A 51 -6.219 -10.345 0.164 1.00 0.00 C ATOM 0 HA PRO A 51 -7.046 -7.893 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.119 -9.607 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.902 -9.978 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.232 -11.112 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.316 -11.748 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.265 -10.406 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.362 -10.940 -0.152 1.00 0.00 H new ATOM 765 N GLN A 52 -7.999 -7.776 1.214 1.00 0.00 N ATOM 766 CA GLN A 52 -8.715 -6.959 2.178 1.00 0.00 C ATOM 767 C GLN A 52 -8.098 -5.560 2.250 1.00 0.00 C ATOM 768 O GLN A 52 -8.795 -4.561 2.077 1.00 0.00 O ATOM 769 CB GLN A 52 -8.729 -7.623 3.557 1.00 0.00 C ATOM 770 CG GLN A 52 -9.565 -6.809 4.548 1.00 0.00 C ATOM 771 CD GLN A 52 -8.667 -6.011 5.496 1.00 0.00 C ATOM 772 OE1 GLN A 52 -8.822 -4.815 5.680 1.00 0.00 O ATOM 773 NE2 GLN A 52 -7.723 -6.737 6.086 1.00 0.00 N ATOM 0 H GLN A 52 -7.436 -8.522 1.622 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.749 -6.863 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.135 -8.631 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.709 -7.719 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.221 -6.129 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.205 -7.477 5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.648 -7.735 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.073 -6.296 6.737 1.00 0.00 H new ATOM 782 N SER A 53 -6.799 -5.533 2.506 1.00 0.00 N ATOM 783 CA SER A 53 -6.081 -4.273 2.602 1.00 0.00 C ATOM 784 C SER A 53 -6.287 -3.454 1.326 1.00 0.00 C ATOM 785 O SER A 53 -6.432 -2.234 1.384 1.00 0.00 O ATOM 786 CB SER A 53 -4.589 -4.507 2.847 1.00 0.00 C ATOM 787 OG SER A 53 -4.258 -4.434 4.231 1.00 0.00 O ATOM 0 H SER A 53 -6.224 -6.363 2.650 1.00 0.00 H new ATOM 0 HA SER A 53 -6.479 -3.717 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.307 -5.485 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.010 -3.766 2.296 1.00 0.00 H new ATOM 0 HG SER A 53 -4.967 -3.958 4.712 1.00 0.00 H new ATOM 793 N LEU A 54 -6.293 -4.158 0.203 1.00 0.00 N ATOM 794 CA LEU A 54 -6.480 -3.513 -1.084 1.00 0.00 C ATOM 795 C LEU A 54 -7.754 -2.666 -1.046 1.00 0.00 C ATOM 796 O LEU A 54 -7.688 -1.439 -0.991 1.00 0.00 O ATOM 797 CB LEU A 54 -6.462 -4.548 -2.211 1.00 0.00 C ATOM 798 CG LEU A 54 -5.202 -4.573 -3.078 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.954 -4.814 -2.226 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.333 -5.599 -4.205 1.00 0.00 C ATOM 0 H LEU A 54 -6.171 -5.170 0.159 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.653 -2.835 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.597 -5.537 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.321 -4.367 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.089 -3.594 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.073 -4.827 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.856 -4.016 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.043 -5.771 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.424 -5.597 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.483 -6.591 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.185 -5.342 -4.834 1.00 0.00 H new ATOM 812 N THR A 55 -8.885 -3.356 -1.077 1.00 0.00 N ATOM 813 CA THR A 55 -10.172 -2.684 -1.047 1.00 0.00 C ATOM 814 C THR A 55 -10.120 -1.472 -0.114 1.00 0.00 C ATOM 815 O THR A 55 -10.826 -0.488 -0.328 1.00 0.00 O ATOM 816 CB THR A 55 -11.234 -3.712 -0.649 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.134 -4.720 -1.651 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.658 -3.174 -0.802 1.00 0.00 C ATOM 0 H THR A 55 -8.936 -4.374 -1.123 1.00 0.00 H new ATOM 0 HA THR A 55 -10.434 -2.288 -2.028 1.00 0.00 H new ATOM 0 HB THR A 55 -11.072 -4.019 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.787 -5.428 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.371 -3.943 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.786 -2.297 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.833 -2.897 -1.842 1.00 0.00 H new ATOM 826 N LYS A 56 -9.277 -1.584 0.902 1.00 0.00 N ATOM 827 CA LYS A 56 -9.123 -0.510 1.868 1.00 0.00 C ATOM 828 C LYS A 56 -8.700 0.767 1.141 1.00 0.00 C ATOM 829 O LYS A 56 -9.479 1.714 1.037 1.00 0.00 O ATOM 830 CB LYS A 56 -8.164 -0.927 2.985 1.00 0.00 C ATOM 831 CG LYS A 56 -8.599 -0.341 4.329 1.00 0.00 C ATOM 832 CD LYS A 56 -7.668 0.794 4.760 1.00 0.00 C ATOM 833 CE LYS A 56 -6.262 0.267 5.056 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.260 1.341 4.881 1.00 0.00 N ATOM 0 H LYS A 56 -8.694 -2.402 1.077 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.074 -0.299 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.130 -2.014 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.155 -0.590 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.621 0.031 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.600 -1.124 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.620 1.548 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.071 1.283 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.218 -0.117 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.032 -0.566 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.308 0.959 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.315 1.712 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.452 2.108 5.556 1.00 0.00 H new ATOM 848 N PHE A 57 -7.467 0.755 0.655 1.00 0.00 N ATOM 849 CA PHE A 57 -6.931 1.901 -0.060 1.00 0.00 C ATOM 850 C PHE A 57 -7.192 1.779 -1.563 1.00 0.00 C ATOM 851 O PHE A 57 -6.663 2.561 -2.353 1.00 0.00 O ATOM 852 CB PHE A 57 -5.421 1.914 0.185 1.00 0.00 C ATOM 853 CG PHE A 57 -4.794 0.522 0.284 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.430 -0.142 -0.845 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.601 -0.051 1.502 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.848 -1.434 -0.753 1.00 0.00 C ATOM 857 CE2 PHE A 57 -4.019 -1.342 1.594 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.654 -2.006 0.465 1.00 0.00 C ATOM 0 H PHE A 57 -6.823 -0.031 0.743 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.408 2.816 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.937 2.462 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.218 2.459 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.584 0.313 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.891 0.476 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.560 -1.962 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.866 -1.797 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.210 -2.988 0.536 1.00 0.00 H new ATOM 868 N GLN A 58 -8.005 0.794 -1.913 1.00 0.00 N ATOM 869 CA GLN A 58 -8.341 0.561 -3.307 1.00 0.00 C ATOM 870 C GLN A 58 -9.619 1.317 -3.680 1.00 0.00 C ATOM 871 O GLN A 58 -9.755 1.800 -4.802 1.00 0.00 O ATOM 872 CB GLN A 58 -8.486 -0.935 -3.594 1.00 0.00 C ATOM 873 CG GLN A 58 -7.140 -1.553 -3.977 1.00 0.00 C ATOM 874 CD GLN A 58 -7.323 -2.666 -5.011 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.384 -3.251 -5.152 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.231 -2.925 -5.725 1.00 0.00 N ATOM 0 H GLN A 58 -8.441 0.148 -1.255 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.526 0.939 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.885 -1.441 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.202 -1.086 -4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.483 -0.782 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.654 -1.954 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.374 -2.398 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.250 -3.651 -6.441 1.00 0.00 H new ATOM 885 N GLY A 59 -10.523 1.395 -2.714 1.00 0.00 N ATOM 886 CA GLY A 59 -11.785 2.085 -2.926 1.00 0.00 C ATOM 887 C GLY A 59 -11.570 3.592 -3.066 1.00 0.00 C ATOM 888 O GLY A 59 -12.010 4.198 -4.042 1.00 0.00 O ATOM 0 H GLY A 59 -10.407 0.993 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.268 1.698 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.457 1.886 -2.091 1.00 0.00 H new ATOM 892 N LEU A 60 -10.892 4.156 -2.076 1.00 0.00 N ATOM 893 CA LEU A 60 -10.613 5.582 -2.078 1.00 0.00 C ATOM 894 C LEU A 60 -9.502 5.879 -3.088 1.00 0.00 C ATOM 895 O LEU A 60 -9.159 7.038 -3.315 1.00 0.00 O ATOM 896 CB LEU A 60 -10.301 6.068 -0.660 1.00 0.00 C ATOM 897 CG LEU A 60 -8.820 6.271 -0.332 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.433 7.748 -0.442 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.479 5.690 1.041 1.00 0.00 C ATOM 0 H LEU A 60 -10.528 3.651 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.492 6.142 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.821 7.012 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.715 5.350 0.048 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.228 5.727 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.376 7.866 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.618 8.098 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.030 8.334 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.421 5.847 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.077 6.186 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.695 4.622 1.048 1.00 0.00 H new ATOM 911 N GLN A 61 -8.972 4.813 -3.667 1.00 0.00 N ATOM 912 CA GLN A 61 -7.908 4.944 -4.647 1.00 0.00 C ATOM 913 C GLN A 61 -8.171 6.146 -5.558 1.00 0.00 C ATOM 914 O GLN A 61 -9.322 6.456 -5.864 1.00 0.00 O ATOM 915 CB GLN A 61 -7.754 3.660 -5.465 1.00 0.00 C ATOM 916 CG GLN A 61 -6.756 3.855 -6.608 1.00 0.00 C ATOM 917 CD GLN A 61 -6.660 2.597 -7.474 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.133 2.548 -8.597 1.00 0.00 O ATOM 919 NE2 GLN A 61 -6.024 1.585 -6.889 1.00 0.00 N ATOM 0 H GLN A 61 -9.260 3.853 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.971 5.112 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.417 2.850 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.722 3.364 -5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.063 4.701 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.774 4.096 -6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.652 1.694 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.909 0.701 -7.384 1.00 0.00 H new ATOM 928 N GLY A 62 -7.086 6.788 -5.964 1.00 0.00 N ATOM 929 CA GLY A 62 -7.186 7.949 -6.833 1.00 0.00 C ATOM 930 C GLY A 62 -6.903 9.239 -6.060 1.00 0.00 C ATOM 931 O GLY A 62 -6.213 10.127 -6.558 1.00 0.00 O ATOM 0 H GLY A 62 -6.134 6.527 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.479 7.852 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.183 7.995 -7.271 1.00 0.00 H new ATOM 935 N ASP A 63 -7.449 9.300 -4.855 1.00 0.00 N ATOM 936 CA ASP A 63 -7.264 10.466 -4.008 1.00 0.00 C ATOM 937 C ASP A 63 -6.202 10.160 -2.950 1.00 0.00 C ATOM 938 O ASP A 63 -6.045 10.910 -1.988 1.00 0.00 O ATOM 939 CB ASP A 63 -8.562 10.831 -3.282 1.00 0.00 C ATOM 940 CG ASP A 63 -8.802 12.332 -3.104 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.009 13.106 -3.680 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.775 12.670 -2.396 1.00 0.00 O ATOM 0 H ASP A 63 -8.020 8.561 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.958 11.298 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.401 10.407 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.556 10.360 -2.299 1.00 0.00 H new ATOM 947 N LEU A 64 -5.499 9.057 -3.166 1.00 0.00 N ATOM 948 CA LEU A 64 -4.455 8.644 -2.244 1.00 0.00 C ATOM 949 C LEU A 64 -3.513 7.669 -2.952 1.00 0.00 C ATOM 950 O LEU A 64 -2.294 7.827 -2.897 1.00 0.00 O ATOM 951 CB LEU A 64 -5.067 8.084 -0.959 1.00 0.00 C ATOM 952 CG LEU A 64 -4.398 6.833 -0.386 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.002 7.156 0.152 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.282 6.174 0.674 1.00 0.00 C ATOM 0 H LEU A 64 -5.632 8.438 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.856 9.501 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.043 8.865 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.116 7.856 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.274 6.112 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.548 6.250 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.382 7.545 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.080 7.903 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.782 5.287 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.461 6.877 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.234 5.887 0.227 1.00 0.00 H new ATOM 966 N ILE A 65 -4.113 6.681 -3.600 1.00 0.00 N ATOM 967 CA ILE A 65 -3.342 5.680 -4.318 1.00 0.00 C ATOM 968 C ILE A 65 -3.161 6.127 -5.770 1.00 0.00 C ATOM 969 O ILE A 65 -4.136 6.276 -6.504 1.00 0.00 O ATOM 970 CB ILE A 65 -3.991 4.301 -4.176 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.854 3.777 -2.745 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.422 3.320 -5.203 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.512 2.286 -2.738 1.00 0.00 C ATOM 0 H ILE A 65 -5.124 6.552 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.346 5.585 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.057 4.401 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.077 4.335 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.785 3.943 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.900 2.348 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.613 3.694 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.347 3.218 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.420 1.939 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.303 1.729 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.569 2.127 -3.260 1.00 0.00 H new ATOM 985 N ASP A 66 -1.905 6.328 -6.141 1.00 0.00 N ATOM 986 CA ASP A 66 -1.583 6.756 -7.492 1.00 0.00 C ATOM 987 C ASP A 66 -1.561 5.536 -8.416 1.00 0.00 C ATOM 988 O ASP A 66 -2.043 5.601 -9.546 1.00 0.00 O ATOM 989 CB ASP A 66 -0.205 7.416 -7.548 1.00 0.00 C ATOM 990 CG ASP A 66 -0.187 8.829 -8.135 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.293 9.385 -8.307 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.933 9.319 -8.398 1.00 0.00 O ATOM 0 H ASP A 66 -1.098 6.202 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.339 7.475 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.205 7.453 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.459 6.785 -8.139 1.00 0.00 H new ATOM 997 N SER A 67 -0.998 4.454 -7.902 1.00 0.00 N ATOM 998 CA SER A 67 -0.907 3.221 -8.666 1.00 0.00 C ATOM 999 C SER A 67 -0.846 2.022 -7.720 1.00 0.00 C ATOM 1000 O SER A 67 -0.200 2.083 -6.675 1.00 0.00 O ATOM 1001 CB SER A 67 0.316 3.233 -9.587 1.00 0.00 C ATOM 1002 OG SER A 67 0.065 3.941 -10.798 1.00 0.00 O ATOM 0 H SER A 67 -0.599 4.405 -6.964 1.00 0.00 H new ATOM 0 HA SER A 67 -1.798 3.139 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.157 3.691 -9.067 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.605 2.208 -9.819 1.00 0.00 H new ATOM 0 HG SER A 67 -0.677 4.567 -10.663 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.527 0.958 -8.120 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.559 -0.255 -7.320 1.00 0.00 C ATOM 1010 C ILE A 68 -1.133 -1.443 -8.185 1.00 0.00 C ATOM 1011 O ILE A 68 -1.856 -1.840 -9.098 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.931 -0.431 -6.667 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.813 -1.168 -5.332 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.908 -1.122 -7.619 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.437 -0.352 -4.197 1.00 0.00 C ATOM 0 H ILE A 68 -2.061 0.911 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.847 -0.187 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.336 0.558 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.308 -2.137 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.763 -1.361 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.875 -1.234 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.025 -0.520 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.521 -2.105 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.339 -0.899 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.924 0.606 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.492 -0.181 -4.409 1.00 0.00 H new ATOM 1027 N GLU A 69 0.037 -1.976 -7.868 1.00 0.00 N ATOM 1028 CA GLU A 69 0.567 -3.110 -8.605 1.00 0.00 C ATOM 1029 C GLU A 69 0.522 -4.373 -7.742 1.00 0.00 C ATOM 1030 O GLU A 69 1.562 -4.888 -7.332 1.00 0.00 O ATOM 1031 CB GLU A 69 1.991 -2.831 -9.092 1.00 0.00 C ATOM 1032 CG GLU A 69 2.305 -3.632 -10.358 1.00 0.00 C ATOM 1033 CD GLU A 69 3.560 -3.096 -11.049 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.698 -1.854 -11.093 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.354 -3.940 -11.516 1.00 0.00 O ATOM 0 H GLU A 69 0.633 -1.643 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.058 -3.271 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.108 -1.766 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.704 -3.088 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.447 -4.682 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.459 -3.582 -11.043 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.695 -4.835 -7.490 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.890 -6.027 -6.682 1.00 0.00 C ATOM 1044 C GLU A 70 -0.294 -7.248 -7.386 1.00 0.00 C ATOM 1045 O GLU A 70 -0.690 -7.578 -8.504 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.372 -6.242 -6.371 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.212 -6.206 -7.650 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.087 -4.952 -7.696 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.485 -4.497 -6.602 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.337 -4.477 -8.825 1.00 0.00 O ATOM 0 H GLU A 70 -1.555 -4.405 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.370 -5.889 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.507 -7.201 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.718 -5.471 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.557 -6.229 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.841 -7.095 -7.701 1.00 0.00 H new ATOM 1057 N ASP A 71 0.646 -7.885 -6.704 1.00 0.00 N ATOM 1058 CA ASP A 71 1.299 -9.063 -7.250 1.00 0.00 C ATOM 1059 C ASP A 71 0.987 -10.271 -6.366 1.00 0.00 C ATOM 1060 O ASP A 71 1.613 -11.321 -6.499 1.00 0.00 O ATOM 1061 CB ASP A 71 2.818 -8.883 -7.288 1.00 0.00 C ATOM 1062 CG ASP A 71 3.576 -9.945 -8.086 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.860 -11.007 -7.491 1.00 0.00 O ATOM 1064 OD2 ASP A 71 3.853 -9.671 -9.274 1.00 0.00 O ATOM 0 H ASP A 71 0.971 -7.608 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 71 0.929 -9.214 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.042 -7.904 -7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.194 -8.882 -6.265 1.00 0.00 H new ATOM 1069 N GLY A 72 0.018 -10.081 -5.481 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.384 -11.142 -4.574 1.00 0.00 C ATOM 1071 C GLY A 72 -1.315 -12.137 -5.272 1.00 0.00 C ATOM 1072 O GLY A 72 -2.048 -11.769 -6.189 1.00 0.00 O ATOM 0 H GLY A 72 -0.499 -9.209 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.499 -11.663 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.888 -10.713 -3.708 1.00 0.00 H new