USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 1 GLY N :NH3+ 141:sc= 0.00322 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 18:sc= 0.484 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 155:sc= -1.98 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -160:sc= 1.37 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 160:sc= 0.0314 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.968 K(o=-0.97,f=-3) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -138:sc= 0 (180deg=-0.000403) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 56 HIS : no HE2:sc= 0.268 K(o=0.27,f=-1.7) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0.0602 K(o=0.06,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.616 -19.056 -0.565 1.00 0.00 N ATOM 2 CA GLY A 1 11.899 -18.351 -0.590 1.00 0.00 C ATOM 3 C GLY A 1 11.852 -17.305 -1.684 1.00 0.00 C ATOM 4 O GLY A 1 11.593 -17.669 -2.827 1.00 0.00 O ATOM 0 H1 GLY A 1 10.779 -20.067 -0.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.019 -18.663 0.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.138 -18.939 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.092 -17.882 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.713 -19.053 -0.772 1.00 0.00 H new ATOM 8 N PRO A 2 12.105 -16.024 -1.369 1.00 0.00 N ATOM 9 CA PRO A 2 12.053 -14.942 -2.344 1.00 0.00 C ATOM 10 C PRO A 2 13.186 -14.902 -3.361 1.00 0.00 C ATOM 11 O PRO A 2 12.969 -14.374 -4.451 1.00 0.00 O ATOM 12 CB PRO A 2 12.110 -13.661 -1.514 1.00 0.00 C ATOM 13 CG PRO A 2 12.868 -14.065 -0.252 1.00 0.00 C ATOM 14 CD PRO A 2 12.413 -15.506 -0.044 1.00 0.00 C ATOM 0 HA PRO A 2 11.153 -15.077 -2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.624 -12.863 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.111 -13.295 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.947 -13.995 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.611 -13.431 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.194 -16.097 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.538 -15.549 0.605 1.00 0.00 H new ATOM 22 N LEU A 3 14.380 -15.399 -3.011 1.00 0.00 N ATOM 23 CA LEU A 3 15.585 -15.415 -3.846 1.00 0.00 C ATOM 24 C LEU A 3 15.828 -14.103 -4.620 1.00 0.00 C ATOM 25 O LEU A 3 16.346 -14.116 -5.738 1.00 0.00 O ATOM 26 CB LEU A 3 15.673 -16.682 -4.713 1.00 0.00 C ATOM 27 CG LEU A 3 14.726 -16.763 -5.932 1.00 0.00 C ATOM 28 CD1 LEU A 3 15.471 -17.454 -7.072 1.00 0.00 C ATOM 29 CD2 LEU A 3 13.463 -17.578 -5.646 1.00 0.00 C ATOM 0 H LEU A 3 14.538 -15.820 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 3 16.428 -15.467 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.698 -16.776 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.479 -17.544 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 3 14.426 -15.745 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.820 -17.522 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.360 -16.878 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.765 -18.456 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.835 -17.601 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.741 -18.596 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.912 -17.119 -4.825 1.00 0.00 H new ATOM 41 N GLY A 4 15.442 -12.969 -4.034 1.00 0.00 N ATOM 42 CA GLY A 4 15.560 -11.630 -4.586 1.00 0.00 C ATOM 43 C GLY A 4 15.699 -10.615 -3.454 1.00 0.00 C ATOM 44 O GLY A 4 15.879 -11.011 -2.297 1.00 0.00 O ATOM 0 H GLY A 4 15.015 -12.967 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.426 -11.574 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.683 -11.397 -5.190 1.00 0.00 H new ATOM 48 N SER A 5 15.641 -9.326 -3.783 1.00 0.00 N ATOM 49 CA SER A 5 15.776 -8.222 -2.837 1.00 0.00 C ATOM 50 C SER A 5 14.700 -7.166 -3.094 1.00 0.00 C ATOM 51 O SER A 5 14.260 -7.005 -4.236 1.00 0.00 O ATOM 52 CB SER A 5 17.161 -7.593 -3.023 1.00 0.00 C ATOM 53 OG SER A 5 18.205 -8.554 -2.948 1.00 0.00 O ATOM 0 H SER A 5 15.495 -9.013 -4.743 1.00 0.00 H new ATOM 0 HA SER A 5 15.659 -8.596 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.202 -7.090 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.317 -6.831 -2.260 1.00 0.00 H new ATOM 0 HG SER A 5 19.069 -8.109 -3.074 1.00 0.00 H new ATOM 59 N THR A 6 14.292 -6.428 -2.060 1.00 0.00 N ATOM 60 CA THR A 6 13.278 -5.378 -2.158 1.00 0.00 C ATOM 61 C THR A 6 13.602 -4.287 -1.132 1.00 0.00 C ATOM 62 O THR A 6 12.903 -4.145 -0.128 1.00 0.00 O ATOM 63 CB THR A 6 11.849 -5.960 -2.002 1.00 0.00 C ATOM 64 OG1 THR A 6 11.805 -7.137 -1.200 1.00 0.00 O ATOM 65 CG2 THR A 6 11.223 -6.304 -3.355 1.00 0.00 C ATOM 0 H THR A 6 14.663 -6.545 -1.117 1.00 0.00 H new ATOM 0 HA THR A 6 13.298 -4.927 -3.150 1.00 0.00 H new ATOM 0 HB THR A 6 11.285 -5.169 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.880 -7.455 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.223 -6.709 -3.201 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.160 -5.404 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.840 -7.045 -3.863 1.00 0.00 H new ATOM 73 N ASP A 7 14.656 -3.513 -1.385 1.00 0.00 N ATOM 74 CA ASP A 7 15.129 -2.428 -0.519 1.00 0.00 C ATOM 75 C ASP A 7 14.025 -1.425 -0.199 1.00 0.00 C ATOM 76 O ASP A 7 13.974 -0.890 0.908 1.00 0.00 O ATOM 77 CB ASP A 7 16.293 -1.691 -1.194 1.00 0.00 C ATOM 78 CG ASP A 7 17.643 -2.204 -0.724 1.00 0.00 C ATOM 79 OD1 ASP A 7 18.327 -1.457 0.014 1.00 0.00 O ATOM 80 OD2 ASP A 7 18.027 -3.334 -1.111 1.00 0.00 O ATOM 0 H ASP A 7 15.224 -3.625 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 7 15.457 -2.882 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 7 16.218 -1.808 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 7 16.217 -0.624 -0.983 1.00 0.00 H new ATOM 85 N CYS A 8 13.147 -1.155 -1.168 1.00 0.00 N ATOM 86 CA CYS A 8 12.025 -0.239 -1.052 1.00 0.00 C ATOM 87 C CYS A 8 10.884 -0.807 -1.888 1.00 0.00 C ATOM 88 O CYS A 8 10.977 -0.862 -3.116 1.00 0.00 O ATOM 89 CB CYS A 8 12.420 1.161 -1.533 1.00 0.00 C ATOM 90 SG CYS A 8 13.441 1.976 -0.273 1.00 0.00 S ATOM 0 H CYS A 8 13.206 -1.589 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 8 11.714 -0.140 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.970 1.092 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.527 1.754 -1.730 1.00 0.00 H new ATOM 0 HG CYS A 8 13.911 1.084 0.548 1.00 0.00 H new ATOM 96 N SER A 9 9.852 -1.310 -1.224 1.00 0.00 N ATOM 97 CA SER A 9 8.649 -1.887 -1.803 1.00 0.00 C ATOM 98 C SER A 9 7.578 -1.839 -0.702 1.00 0.00 C ATOM 99 O SER A 9 7.895 -1.475 0.439 1.00 0.00 O ATOM 100 CB SER A 9 8.959 -3.296 -2.328 1.00 0.00 C ATOM 101 OG SER A 9 7.843 -3.889 -2.955 1.00 0.00 O ATOM 0 H SER A 9 9.833 -1.326 -0.204 1.00 0.00 H new ATOM 0 HA SER A 9 8.277 -1.338 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.786 -3.244 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.286 -3.926 -1.501 1.00 0.00 H new ATOM 0 HG SER A 9 8.085 -4.783 -3.275 1.00 0.00 H new ATOM 107 N ILE A 10 6.325 -2.198 -1.016 1.00 0.00 N ATOM 108 CA ILE A 10 5.214 -2.176 -0.054 1.00 0.00 C ATOM 109 C ILE A 10 5.534 -2.917 1.225 1.00 0.00 C ATOM 110 O ILE A 10 5.000 -2.523 2.252 1.00 0.00 O ATOM 111 CB ILE A 10 3.873 -2.622 -0.681 1.00 0.00 C ATOM 112 CG1 ILE A 10 3.036 -1.378 -1.014 1.00 0.00 C ATOM 113 CG2 ILE A 10 3.013 -3.634 0.107 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.472 -0.646 0.209 1.00 0.00 C ATOM 0 H ILE A 10 6.053 -2.513 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 10 5.082 -1.131 0.228 1.00 0.00 H new ATOM 0 HB ILE A 10 4.170 -3.183 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.652 -0.683 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.208 -1.674 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.104 -3.853 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.579 -4.554 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.748 -3.210 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.895 0.219 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.827 -1.321 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.293 -0.315 0.845 1.00 0.00 H new ATOM 126 N VAL A 11 6.402 -3.924 1.193 1.00 0.00 N ATOM 127 CA VAL A 11 6.776 -4.659 2.390 1.00 0.00 C ATOM 128 C VAL A 11 7.212 -3.705 3.503 1.00 0.00 C ATOM 129 O VAL A 11 6.751 -3.819 4.638 1.00 0.00 O ATOM 130 CB VAL A 11 7.884 -5.672 2.072 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.224 -6.917 1.484 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.974 -5.202 1.090 1.00 0.00 C ATOM 0 H VAL A 11 6.861 -4.249 0.342 1.00 0.00 H new ATOM 0 HA VAL A 11 5.902 -5.206 2.743 1.00 0.00 H new ATOM 0 HB VAL A 11 8.401 -5.845 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.989 -7.657 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.526 -7.336 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.685 -6.648 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.701 -6.001 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.517 -4.947 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.477 -4.325 1.497 1.00 0.00 H new ATOM 142 N SER A 12 8.064 -2.744 3.156 1.00 0.00 N ATOM 143 CA SER A 12 8.571 -1.755 4.076 1.00 0.00 C ATOM 144 C SER A 12 7.411 -0.913 4.601 1.00 0.00 C ATOM 145 O SER A 12 7.321 -0.669 5.801 1.00 0.00 O ATOM 146 CB SER A 12 9.625 -0.926 3.329 1.00 0.00 C ATOM 147 OG SER A 12 10.450 -0.197 4.205 1.00 0.00 O ATOM 0 H SER A 12 8.422 -2.637 2.207 1.00 0.00 H new ATOM 0 HA SER A 12 9.045 -2.208 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.241 -1.588 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.126 -0.238 2.646 1.00 0.00 H new ATOM 0 HG SER A 12 11.106 0.314 3.687 1.00 0.00 H new ATOM 153 N PHE A 13 6.505 -0.465 3.724 1.00 0.00 N ATOM 154 CA PHE A 13 5.396 0.362 4.185 1.00 0.00 C ATOM 155 C PHE A 13 4.460 -0.442 5.088 1.00 0.00 C ATOM 156 O PHE A 13 4.061 0.030 6.146 1.00 0.00 O ATOM 157 CB PHE A 13 4.669 1.001 2.998 1.00 0.00 C ATOM 158 CG PHE A 13 3.619 2.024 3.397 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.253 1.811 3.118 1.00 0.00 C ATOM 160 CD2 PHE A 13 4.019 3.204 4.053 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.296 2.768 3.505 1.00 0.00 C ATOM 162 CE2 PHE A 13 3.064 4.156 4.445 1.00 0.00 C ATOM 163 CZ PHE A 13 1.708 3.930 4.179 1.00 0.00 C ATOM 0 H PHE A 13 6.519 -0.656 2.722 1.00 0.00 H new ATOM 0 HA PHE A 13 5.790 1.179 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.403 1.482 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.192 0.216 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.941 0.912 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.065 3.378 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.251 2.610 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.374 5.059 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.972 4.655 4.495 1.00 0.00 H new ATOM 173 N PHE A 14 4.130 -1.677 4.723 1.00 0.00 N ATOM 174 CA PHE A 14 3.238 -2.529 5.501 1.00 0.00 C ATOM 175 C PHE A 14 3.828 -2.849 6.866 1.00 0.00 C ATOM 176 O PHE A 14 3.099 -2.799 7.861 1.00 0.00 O ATOM 177 CB PHE A 14 2.855 -3.761 4.678 1.00 0.00 C ATOM 178 CG PHE A 14 1.673 -3.524 3.749 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.820 -4.588 3.401 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.376 -2.232 3.276 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.297 -4.365 2.577 1.00 0.00 C ATOM 182 CE2 PHE A 14 0.257 -2.002 2.477 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.575 -3.071 2.101 1.00 0.00 C ATOM 0 H PHE A 14 4.477 -2.118 3.871 1.00 0.00 H new ATOM 0 HA PHE A 14 2.312 -1.996 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.715 -4.075 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.617 -4.581 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.025 -5.582 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.024 -1.408 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.943 -5.188 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.029 -1.000 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.421 -2.900 1.452 1.00 0.00 H new ATOM 193 N ALA A 15 5.138 -3.102 6.933 1.00 0.00 N ATOM 194 CA ALA A 15 5.801 -3.378 8.195 1.00 0.00 C ATOM 195 C ALA A 15 5.635 -2.137 9.077 1.00 0.00 C ATOM 196 O ALA A 15 5.317 -2.263 10.259 1.00 0.00 O ATOM 197 CB ALA A 15 7.272 -3.722 7.958 1.00 0.00 C ATOM 0 H ALA A 15 5.756 -3.120 6.121 1.00 0.00 H new ATOM 0 HA ALA A 15 5.359 -4.241 8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.756 -3.926 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.341 -4.603 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.768 -2.882 7.472 1.00 0.00 H new ATOM 203 N ARG A 16 5.798 -0.935 8.505 1.00 0.00 N ATOM 204 CA ARG A 16 5.639 0.323 9.231 1.00 0.00 C ATOM 205 C ARG A 16 4.196 0.514 9.690 1.00 0.00 C ATOM 206 O ARG A 16 3.986 1.047 10.776 1.00 0.00 O ATOM 207 CB ARG A 16 6.074 1.513 8.363 1.00 0.00 C ATOM 208 CG ARG A 16 7.562 1.526 7.977 1.00 0.00 C ATOM 209 CD ARG A 16 8.471 2.117 9.050 1.00 0.00 C ATOM 210 NE ARG A 16 8.669 1.172 10.156 1.00 0.00 N ATOM 211 CZ ARG A 16 8.270 1.311 11.423 1.00 0.00 C ATOM 212 NH1 ARG A 16 7.727 2.445 11.852 1.00 0.00 N ATOM 213 NH2 ARG A 16 8.400 0.285 12.250 1.00 0.00 N ATOM 0 H ARG A 16 6.044 -0.813 7.523 1.00 0.00 H new ATOM 0 HA ARG A 16 6.279 0.278 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.477 1.515 7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.844 2.435 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.882 0.506 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.684 2.096 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.435 2.376 8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.036 3.041 9.431 1.00 0.00 H new ATOM 0 HE ARG A 16 9.168 0.311 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.609 3.229 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.428 2.532 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.799 -0.592 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.101 0.372 13.221 1.00 0.00 H new ATOM 227 N LEU A 17 3.206 0.127 8.879 1.00 0.00 N ATOM 228 CA LEU A 17 1.790 0.249 9.239 1.00 0.00 C ATOM 229 C LEU A 17 1.480 -0.671 10.414 1.00 0.00 C ATOM 230 O LEU A 17 0.643 -0.323 11.248 1.00 0.00 O ATOM 231 CB LEU A 17 0.841 -0.142 8.091 1.00 0.00 C ATOM 232 CG LEU A 17 0.822 0.798 6.878 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.232 0.301 5.883 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.548 2.255 7.268 1.00 0.00 C ATOM 0 H LEU A 17 3.363 -0.279 7.957 1.00 0.00 H new ATOM 0 HA LEU A 17 1.627 1.298 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.112 -1.140 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.171 -0.207 8.490 1.00 0.00 H new ATOM 0 HG LEU A 17 1.811 0.782 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.254 0.962 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.019 -0.710 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.211 0.297 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.545 2.877 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.422 2.324 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.326 2.602 7.949 1.00 0.00 H new ATOM 246 N GLY A 18 2.140 -1.828 10.475 1.00 0.00 N ATOM 247 CA GLY A 18 1.987 -2.830 11.502 1.00 0.00 C ATOM 248 C GLY A 18 1.007 -3.884 11.027 1.00 0.00 C ATOM 249 O GLY A 18 0.444 -4.579 11.875 1.00 0.00 O ATOM 0 H GLY A 18 2.827 -2.094 9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.950 -3.287 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.628 -2.372 12.424 1.00 0.00 H new ATOM 253 N CYS A 19 0.735 -3.975 9.714 1.00 0.00 N ATOM 254 CA CYS A 19 -0.213 -4.970 9.256 1.00 0.00 C ATOM 255 C CYS A 19 0.415 -6.366 9.266 1.00 0.00 C ATOM 256 O CYS A 19 1.643 -6.476 9.255 1.00 0.00 O ATOM 257 CB CYS A 19 -0.912 -4.506 7.977 1.00 0.00 C ATOM 258 SG CYS A 19 0.242 -4.363 6.611 1.00 0.00 S ATOM 0 H CYS A 19 1.146 -3.391 8.986 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.042 -5.077 9.956 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.701 -5.212 7.716 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.391 -3.543 8.152 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.399 -4.488 5.487 1.00 0.00 H new ATOM 264 N SER A 20 -0.413 -7.414 9.258 1.00 0.00 N ATOM 265 CA SER A 20 0.029 -8.805 9.293 1.00 0.00 C ATOM 266 C SER A 20 -0.543 -9.589 8.112 1.00 0.00 C ATOM 267 O SER A 20 0.084 -9.578 7.057 1.00 0.00 O ATOM 268 CB SER A 20 -0.284 -9.410 10.667 1.00 0.00 C ATOM 269 OG SER A 20 0.420 -8.717 11.682 1.00 0.00 O ATOM 0 H SER A 20 -1.428 -7.314 9.226 1.00 0.00 H new ATOM 0 HA SER A 20 1.111 -8.861 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.356 -9.359 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.008 -10.464 10.679 1.00 0.00 H new ATOM 0 HG SER A 20 0.210 -9.112 12.554 1.00 0.00 H new ATOM 275 N SER A 21 -1.745 -10.177 8.206 1.00 0.00 N ATOM 276 CA SER A 21 -2.334 -10.964 7.113 1.00 0.00 C ATOM 277 C SER A 21 -2.364 -10.215 5.778 1.00 0.00 C ATOM 278 O SER A 21 -2.281 -10.825 4.713 1.00 0.00 O ATOM 279 CB SER A 21 -3.750 -11.422 7.493 1.00 0.00 C ATOM 280 OG SER A 21 -4.516 -10.343 8.019 1.00 0.00 O ATOM 0 H SER A 21 -2.333 -10.121 9.037 1.00 0.00 H new ATOM 0 HA SER A 21 -1.689 -11.831 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.250 -11.833 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.691 -12.223 8.230 1.00 0.00 H new ATOM 0 HG SER A 21 -5.413 -10.661 8.251 1.00 0.00 H new ATOM 286 N CYS A 22 -2.444 -8.886 5.816 1.00 0.00 N ATOM 287 CA CYS A 22 -2.474 -8.074 4.625 1.00 0.00 C ATOM 288 C CYS A 22 -1.170 -8.205 3.855 1.00 0.00 C ATOM 289 O CYS A 22 -1.189 -8.218 2.625 1.00 0.00 O ATOM 290 CB CYS A 22 -2.711 -6.603 4.999 1.00 0.00 C ATOM 291 SG CYS A 22 -3.834 -6.430 6.416 1.00 0.00 S ATOM 0 H CYS A 22 -2.489 -8.350 6.683 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.290 -8.421 3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.757 -6.131 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.126 -6.074 4.141 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.328 -5.228 6.434 1.00 0.00 H new ATOM 297 N LEU A 23 -0.038 -8.219 4.561 1.00 0.00 N ATOM 298 CA LEU A 23 1.262 -8.327 3.949 1.00 0.00 C ATOM 299 C LEU A 23 1.400 -9.708 3.345 1.00 0.00 C ATOM 300 O LEU A 23 1.967 -9.789 2.261 1.00 0.00 O ATOM 301 CB LEU A 23 2.372 -7.949 4.956 1.00 0.00 C ATOM 302 CG LEU A 23 2.988 -9.069 5.832 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.176 -9.742 5.154 1.00 0.00 C ATOM 304 CD2 LEU A 23 3.490 -8.496 7.159 1.00 0.00 C ATOM 0 H LEU A 23 -0.011 -8.155 5.579 1.00 0.00 H new ATOM 0 HA LEU A 23 1.374 -7.613 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.183 -7.482 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.968 -7.189 5.625 1.00 0.00 H new ATOM 0 HG LEU A 23 2.196 -9.801 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.574 -10.520 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.854 -10.187 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.951 -9.001 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.919 -9.296 7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.251 -7.740 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.658 -8.043 7.698 1.00 0.00 H new ATOM 316 N ASP A 24 0.865 -10.737 4.010 1.00 0.00 N ATOM 317 CA ASP A 24 0.920 -12.138 3.591 1.00 0.00 C ATOM 318 C ASP A 24 0.217 -12.314 2.258 1.00 0.00 C ATOM 319 O ASP A 24 0.798 -12.828 1.298 1.00 0.00 O ATOM 320 CB ASP A 24 0.277 -13.034 4.649 1.00 0.00 C ATOM 321 CG ASP A 24 0.506 -14.514 4.343 1.00 0.00 C ATOM 322 OD1 ASP A 24 1.458 -15.088 4.915 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.322 -15.140 3.644 1.00 0.00 O ATOM 0 H ASP A 24 0.363 -10.610 4.889 1.00 0.00 H new ATOM 0 HA ASP A 24 1.965 -12.427 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.690 -12.796 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.793 -12.832 4.697 1.00 0.00 H new ATOM 328 N TYR A 25 -1.015 -11.810 2.176 1.00 0.00 N ATOM 329 CA TYR A 25 -1.802 -11.883 0.963 1.00 0.00 C ATOM 330 C TYR A 25 -1.046 -11.171 -0.155 1.00 0.00 C ATOM 331 O TYR A 25 -0.903 -11.719 -1.245 1.00 0.00 O ATOM 332 CB TYR A 25 -3.171 -11.232 1.186 1.00 0.00 C ATOM 333 CG TYR A 25 -4.059 -11.837 2.261 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.889 -10.989 3.018 1.00 0.00 C ATOM 335 CD2 TYR A 25 -4.096 -13.227 2.492 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.748 -11.517 3.993 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.955 -13.764 3.465 1.00 0.00 C ATOM 338 CZ TYR A 25 -5.788 -12.909 4.217 1.00 0.00 C ATOM 339 OH TYR A 25 -6.638 -13.430 5.136 1.00 0.00 O ATOM 0 H TYR A 25 -1.486 -11.343 2.951 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.963 -12.925 0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.010 -10.182 1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.716 -11.259 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.864 -9.923 2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.460 -13.883 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.378 -10.858 4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.978 -14.830 3.637 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.536 -14.404 5.161 1.00 0.00 H new ATOM 349 N PHE A 26 -0.539 -9.962 0.108 1.00 0.00 N ATOM 350 CA PHE A 26 0.195 -9.190 -0.880 1.00 0.00 C ATOM 351 C PHE A 26 1.389 -9.951 -1.454 1.00 0.00 C ATOM 352 O PHE A 26 1.506 -10.041 -2.680 1.00 0.00 O ATOM 353 CB PHE A 26 0.600 -7.831 -0.292 1.00 0.00 C ATOM 354 CG PHE A 26 -0.287 -6.720 -0.799 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.002 -6.095 -2.024 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.450 -6.370 -0.099 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.860 -5.109 -2.529 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.304 -5.383 -0.596 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.005 -4.748 -1.811 1.00 0.00 C ATOM 0 H PHE A 26 -0.630 -9.499 1.012 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.469 -9.013 -1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.545 -7.874 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.637 -7.616 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.881 -6.375 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.687 -6.867 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.638 -4.629 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.192 -5.109 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.660 -3.979 -2.193 1.00 0.00 H new ATOM 369 N THR A 27 2.280 -10.481 -0.611 1.00 0.00 N ATOM 370 CA THR A 27 3.445 -11.206 -1.103 1.00 0.00 C ATOM 371 C THR A 27 3.026 -12.478 -1.846 1.00 0.00 C ATOM 372 O THR A 27 3.597 -12.773 -2.901 1.00 0.00 O ATOM 373 CB THR A 27 4.477 -11.426 0.021 1.00 0.00 C ATOM 374 OG1 THR A 27 5.608 -12.118 -0.479 1.00 0.00 O ATOM 375 CG2 THR A 27 3.977 -12.166 1.276 1.00 0.00 C ATOM 0 H THR A 27 2.215 -10.420 0.405 1.00 0.00 H new ATOM 0 HA THR A 27 3.961 -10.598 -1.846 1.00 0.00 H new ATOM 0 HB THR A 27 4.717 -10.414 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.257 -12.250 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.793 -12.259 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.159 -11.604 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.624 -13.159 0.997 1.00 0.00 H new ATOM 383 N THR A 28 2.011 -13.198 -1.365 1.00 0.00 N ATOM 384 CA THR A 28 1.561 -14.410 -2.034 1.00 0.00 C ATOM 385 C THR A 28 1.006 -14.064 -3.433 1.00 0.00 C ATOM 386 O THR A 28 1.125 -14.866 -4.359 1.00 0.00 O ATOM 387 CB THR A 28 0.561 -15.171 -1.142 1.00 0.00 C ATOM 388 OG1 THR A 28 1.015 -15.270 0.194 1.00 0.00 O ATOM 389 CG2 THR A 28 0.404 -16.620 -1.607 1.00 0.00 C ATOM 0 H THR A 28 1.491 -12.961 -0.520 1.00 0.00 H new ATOM 0 HA THR A 28 2.401 -15.086 -2.193 1.00 0.00 H new ATOM 0 HB THR A 28 -0.371 -14.609 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.748 -14.468 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.307 -17.135 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.038 -16.635 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.369 -17.124 -1.559 1.00 0.00 H new ATOM 397 N GLN A 29 0.449 -12.861 -3.632 1.00 0.00 N ATOM 398 CA GLN A 29 -0.091 -12.428 -4.915 1.00 0.00 C ATOM 399 C GLN A 29 1.007 -11.849 -5.820 1.00 0.00 C ATOM 400 O GLN A 29 0.871 -11.891 -7.046 1.00 0.00 O ATOM 401 CB GLN A 29 -1.155 -11.359 -4.668 1.00 0.00 C ATOM 402 CG GLN A 29 -2.393 -11.873 -3.921 1.00 0.00 C ATOM 403 CD GLN A 29 -3.415 -12.526 -4.843 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.130 -11.855 -5.583 1.00 0.00 O ATOM 405 NE2 GLN A 29 -3.556 -13.835 -4.781 1.00 0.00 N ATOM 0 H GLN A 29 0.363 -12.160 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.523 -13.293 -5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.711 -10.544 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.468 -10.944 -5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.081 -12.593 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.864 -11.043 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.958 -14.384 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.263 -14.299 -5.350 1.00 0.00 H new ATOM 414 N GLY A 30 2.086 -11.314 -5.245 1.00 0.00 N ATOM 415 CA GLY A 30 3.215 -10.739 -5.969 1.00 0.00 C ATOM 416 C GLY A 30 2.861 -9.427 -6.669 1.00 0.00 C ATOM 417 O GLY A 30 3.332 -9.163 -7.780 1.00 0.00 O ATOM 0 H GLY A 30 2.199 -11.269 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.036 -10.565 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.570 -11.456 -6.709 1.00 0.00 H new ATOM 421 N LEU A 31 2.056 -8.581 -6.025 1.00 0.00 N ATOM 422 CA LEU A 31 1.589 -7.283 -6.538 1.00 0.00 C ATOM 423 C LEU A 31 1.822 -6.157 -5.528 1.00 0.00 C ATOM 424 O LEU A 31 1.092 -5.170 -5.513 1.00 0.00 O ATOM 425 CB LEU A 31 0.107 -7.382 -6.980 1.00 0.00 C ATOM 426 CG LEU A 31 -0.796 -8.248 -6.089 1.00 0.00 C ATOM 427 CD1 LEU A 31 -0.925 -7.736 -4.658 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.184 -8.409 -6.691 1.00 0.00 C ATOM 0 H LEU A 31 1.694 -8.785 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 31 2.181 -7.028 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.310 -6.376 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.075 -7.780 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.297 -9.216 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.578 -8.400 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.059 -7.710 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.349 -6.732 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.796 -9.027 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.648 -7.429 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.104 -8.886 -7.668 1.00 0.00 H new ATOM 440 N THR A 32 2.813 -6.302 -4.648 1.00 0.00 N ATOM 441 CA THR A 32 3.089 -5.288 -3.640 1.00 0.00 C ATOM 442 C THR A 32 3.985 -4.219 -4.257 1.00 0.00 C ATOM 443 O THR A 32 5.110 -4.527 -4.654 1.00 0.00 O ATOM 444 CB THR A 32 3.716 -5.954 -2.375 1.00 0.00 C ATOM 445 OG1 THR A 32 5.059 -5.585 -2.101 1.00 0.00 O ATOM 446 CG2 THR A 32 3.683 -7.485 -2.305 1.00 0.00 C ATOM 0 H THR A 32 3.434 -7.110 -4.616 1.00 0.00 H new ATOM 0 HA THR A 32 2.170 -4.803 -3.311 1.00 0.00 H new ATOM 0 HB THR A 32 3.034 -5.547 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.367 -6.047 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.150 -7.817 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.649 -7.828 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.227 -7.900 -3.154 1.00 0.00 H new ATOM 454 N THR A 33 3.525 -2.970 -4.317 1.00 0.00 N ATOM 455 CA THR A 33 4.308 -1.865 -4.842 1.00 0.00 C ATOM 456 C THR A 33 3.751 -0.573 -4.236 1.00 0.00 C ATOM 457 O THR A 33 2.542 -0.479 -4.008 1.00 0.00 O ATOM 458 CB THR A 33 4.264 -1.912 -6.390 1.00 0.00 C ATOM 459 OG1 THR A 33 4.257 -0.630 -6.989 1.00 0.00 O ATOM 460 CG2 THR A 33 3.100 -2.744 -6.980 1.00 0.00 C ATOM 0 H THR A 33 2.594 -2.701 -4.000 1.00 0.00 H new ATOM 0 HA THR A 33 5.361 -1.924 -4.568 1.00 0.00 H new ATOM 0 HB THR A 33 5.195 -2.421 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.548 -0.703 -7.922 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.150 -2.719 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.179 -3.775 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.149 -2.324 -6.651 1.00 0.00 H new ATOM 468 N ILE A 34 4.606 0.424 -4.007 1.00 0.00 N ATOM 469 CA ILE A 34 4.229 1.726 -3.454 1.00 0.00 C ATOM 470 C ILE A 34 3.616 2.602 -4.553 1.00 0.00 C ATOM 471 O ILE A 34 2.525 3.153 -4.433 1.00 0.00 O ATOM 472 CB ILE A 34 5.423 2.462 -2.783 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.366 1.608 -1.898 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.863 3.635 -1.957 1.00 0.00 C ATOM 475 CD1 ILE A 34 5.883 1.354 -0.466 1.00 0.00 C ATOM 0 H ILE A 34 5.604 0.347 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 34 3.492 1.543 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 34 6.061 2.782 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.520 0.646 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.337 2.101 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.684 4.166 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.324 4.318 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.184 3.252 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.618 0.747 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.759 2.306 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.929 0.828 -0.492 1.00 0.00 H new ATOM 487 N TYR A 35 4.356 2.722 -5.653 1.00 0.00 N ATOM 488 CA TYR A 35 4.043 3.524 -6.822 1.00 0.00 C ATOM 489 C TYR A 35 2.700 3.169 -7.424 1.00 0.00 C ATOM 490 O TYR A 35 2.043 4.018 -8.030 1.00 0.00 O ATOM 491 CB TYR A 35 5.148 3.326 -7.865 1.00 0.00 C ATOM 492 CG TYR A 35 6.553 3.525 -7.340 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.254 2.441 -6.784 1.00 0.00 C ATOM 494 CD2 TYR A 35 7.164 4.789 -7.416 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.546 2.631 -6.274 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.475 4.975 -6.944 1.00 0.00 C ATOM 497 CZ TYR A 35 9.173 3.895 -6.360 1.00 0.00 C ATOM 498 OH TYR A 35 10.430 4.063 -5.866 1.00 0.00 O ATOM 0 H TYR A 35 5.244 2.230 -5.753 1.00 0.00 H new ATOM 0 HA TYR A 35 3.986 4.567 -6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.067 2.319 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.980 4.020 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.798 1.463 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.623 5.622 -7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.066 1.805 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.948 5.942 -7.028 1.00 0.00 H new ATOM 0 HH TYR A 35 10.715 4.990 -6.006 1.00 0.00 H new ATOM 508 N GLN A 36 2.306 1.905 -7.288 1.00 0.00 N ATOM 509 CA GLN A 36 1.034 1.475 -7.829 1.00 0.00 C ATOM 510 C GLN A 36 -0.113 1.991 -6.985 1.00 0.00 C ATOM 511 O GLN A 36 -1.028 2.561 -7.556 1.00 0.00 O ATOM 512 CB GLN A 36 0.952 -0.039 -7.931 1.00 0.00 C ATOM 513 CG GLN A 36 1.579 -0.548 -9.232 1.00 0.00 C ATOM 514 CD GLN A 36 1.147 -1.979 -9.554 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.678 -2.727 -8.695 1.00 0.00 O ATOM 516 NE2 GLN A 36 1.261 -2.388 -10.800 1.00 0.00 N ATOM 0 H GLN A 36 2.843 1.178 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 36 0.956 1.892 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.461 -0.490 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.091 -0.352 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.295 0.110 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.665 -0.507 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.650 -1.765 -11.508 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.960 -3.328 -11.058 1.00 0.00 H new ATOM 525 N ILE A 37 -0.099 1.813 -5.663 1.00 0.00 N ATOM 526 CA ILE A 37 -1.190 2.276 -4.797 1.00 0.00 C ATOM 527 C ILE A 37 -1.369 3.794 -4.824 1.00 0.00 C ATOM 528 O ILE A 37 -2.453 4.280 -4.507 1.00 0.00 O ATOM 529 CB ILE A 37 -1.097 1.656 -3.401 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.260 1.954 -2.754 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.336 0.143 -3.541 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.333 1.572 -1.287 1.00 0.00 C ATOM 0 H ILE A 37 0.660 1.349 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.127 1.905 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.852 2.089 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.038 1.419 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.475 3.018 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.276 -0.327 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.324 -0.031 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.578 -0.286 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.322 1.812 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.421 2.126 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.151 0.503 -1.180 1.00 0.00 H new ATOM 544 N GLU A 38 -0.345 4.537 -5.254 1.00 0.00 N ATOM 545 CA GLU A 38 -0.435 5.984 -5.380 1.00 0.00 C ATOM 546 C GLU A 38 -1.428 6.281 -6.529 1.00 0.00 C ATOM 547 O GLU A 38 -2.008 7.363 -6.576 1.00 0.00 O ATOM 548 CB GLU A 38 0.985 6.546 -5.597 1.00 0.00 C ATOM 549 CG GLU A 38 1.104 8.045 -5.932 1.00 0.00 C ATOM 550 CD GLU A 38 0.710 9.016 -4.815 1.00 0.00 C ATOM 551 OE1 GLU A 38 1.218 10.168 -4.816 1.00 0.00 O ATOM 552 OE2 GLU A 38 -0.126 8.676 -3.961 1.00 0.00 O ATOM 0 H GLU A 38 0.560 4.151 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.818 6.476 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.566 6.354 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.453 5.981 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.135 8.252 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.482 8.253 -6.803 1.00 0.00 H new ATOM 559 N HIS A 39 -1.639 5.334 -7.463 1.00 0.00 N ATOM 560 CA HIS A 39 -2.566 5.461 -8.587 1.00 0.00 C ATOM 561 C HIS A 39 -3.740 4.466 -8.488 1.00 0.00 C ATOM 562 O HIS A 39 -4.808 4.773 -9.022 1.00 0.00 O ATOM 563 CB HIS A 39 -1.793 5.277 -9.902 1.00 0.00 C ATOM 564 CG HIS A 39 -2.612 5.496 -11.150 1.00 0.00 C ATOM 565 ND1 HIS A 39 -3.486 6.535 -11.372 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.588 4.728 -12.283 1.00 0.00 C ATOM 567 CE1 HIS A 39 -3.961 6.407 -12.618 1.00 0.00 C ATOM 568 NE2 HIS A 39 -3.455 5.312 -13.214 1.00 0.00 N ATOM 0 H HIS A 39 -1.152 4.438 -7.450 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.006 6.458 -8.560 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.949 5.967 -9.911 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.380 4.269 -9.927 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.004 3.832 -12.432 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.657 7.091 -13.082 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.661 4.975 -14.154 1.00 0.00 H new ATOM 576 N TYR A 40 -3.621 3.337 -7.776 1.00 0.00 N ATOM 577 CA TYR A 40 -4.677 2.351 -7.587 1.00 0.00 C ATOM 578 C TYR A 40 -5.543 2.909 -6.464 1.00 0.00 C ATOM 579 O TYR A 40 -5.255 2.687 -5.287 1.00 0.00 O ATOM 580 CB TYR A 40 -4.147 0.923 -7.261 1.00 0.00 C ATOM 581 CG TYR A 40 -3.699 0.051 -8.431 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.620 -0.868 -8.329 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.438 0.105 -9.628 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.328 -1.705 -9.426 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.086 -0.669 -10.737 1.00 0.00 C ATOM 586 CZ TYR A 40 -3.026 -1.586 -10.646 1.00 0.00 C ATOM 587 OH TYR A 40 -2.692 -2.364 -11.715 1.00 0.00 O ATOM 0 H TYR A 40 -2.754 3.083 -7.302 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.239 2.208 -8.510 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.305 1.025 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.931 0.388 -6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.032 -0.925 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.295 0.759 -9.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.554 -2.452 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.629 -0.562 -11.664 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.277 -2.150 -12.471 1.00 0.00 H new ATOM 597 N SER A 41 -6.562 3.681 -6.834 1.00 0.00 N ATOM 598 CA SER A 41 -7.484 4.297 -5.899 1.00 0.00 C ATOM 599 C SER A 41 -8.384 3.235 -5.264 1.00 0.00 C ATOM 600 O SER A 41 -8.353 2.061 -5.638 1.00 0.00 O ATOM 601 CB SER A 41 -8.282 5.385 -6.625 1.00 0.00 C ATOM 602 OG SER A 41 -7.402 6.316 -7.229 1.00 0.00 O ATOM 0 H SER A 41 -6.769 3.896 -7.809 1.00 0.00 H new ATOM 0 HA SER A 41 -6.936 4.770 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.921 4.933 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.937 5.897 -5.920 1.00 0.00 H new ATOM 0 HG SER A 41 -7.923 7.006 -7.691 1.00 0.00 H new ATOM 608 N MET A 42 -9.239 3.658 -4.331 1.00 0.00 N ATOM 609 CA MET A 42 -10.154 2.796 -3.588 1.00 0.00 C ATOM 610 C MET A 42 -10.975 1.829 -4.448 1.00 0.00 C ATOM 611 O MET A 42 -11.320 0.755 -3.949 1.00 0.00 O ATOM 612 CB MET A 42 -11.005 3.637 -2.625 1.00 0.00 C ATOM 613 CG MET A 42 -12.091 4.479 -3.295 1.00 0.00 C ATOM 614 SD MET A 42 -13.036 5.514 -2.147 1.00 0.00 S ATOM 615 CE MET A 42 -11.860 6.880 -1.923 1.00 0.00 C ATOM 0 H MET A 42 -9.314 4.640 -4.065 1.00 0.00 H new ATOM 0 HA MET A 42 -9.536 2.120 -2.997 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.476 2.970 -1.903 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.346 4.300 -2.064 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.628 5.118 -4.047 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.778 3.816 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.831 7.166 -0.872 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.867 6.561 -2.240 1.00 0.00 H new ATOM 0 HE3 MET A 42 -12.176 7.734 -2.523 1.00 0.00 H new ATOM 625 N ASP A 43 -11.253 2.149 -5.714 1.00 0.00 N ATOM 626 CA ASP A 43 -12.019 1.281 -6.612 1.00 0.00 C ATOM 627 C ASP A 43 -11.223 0.034 -6.984 1.00 0.00 C ATOM 628 O ASP A 43 -11.722 -1.081 -6.863 1.00 0.00 O ATOM 629 CB ASP A 43 -12.372 2.018 -7.912 1.00 0.00 C ATOM 630 CG ASP A 43 -13.606 2.887 -7.745 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.716 2.324 -7.613 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.460 4.127 -7.730 1.00 0.00 O ATOM 0 H ASP A 43 -10.952 3.022 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.927 0.997 -6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.529 2.637 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.542 1.292 -8.707 1.00 0.00 H new ATOM 637 N ASP A 44 -9.978 0.195 -7.433 1.00 0.00 N ATOM 638 CA ASP A 44 -9.140 -0.943 -7.818 1.00 0.00 C ATOM 639 C ASP A 44 -8.842 -1.786 -6.592 1.00 0.00 C ATOM 640 O ASP A 44 -8.908 -3.014 -6.629 1.00 0.00 O ATOM 641 CB ASP A 44 -7.847 -0.489 -8.509 1.00 0.00 C ATOM 642 CG ASP A 44 -8.098 -0.278 -9.996 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.367 0.875 -10.392 1.00 0.00 O ATOM 644 OD2 ASP A 44 -8.078 -1.263 -10.780 1.00 0.00 O ATOM 0 H ASP A 44 -9.526 1.103 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.685 -1.547 -8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.489 0.436 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.067 -1.236 -8.366 1.00 0.00 H new ATOM 649 N LEU A 45 -8.553 -1.114 -5.477 1.00 0.00 N ATOM 650 CA LEU A 45 -8.266 -1.777 -4.216 1.00 0.00 C ATOM 651 C LEU A 45 -9.493 -2.606 -3.818 1.00 0.00 C ATOM 652 O LEU A 45 -9.343 -3.713 -3.309 1.00 0.00 O ATOM 653 CB LEU A 45 -7.852 -0.748 -3.155 1.00 0.00 C ATOM 654 CG LEU A 45 -6.666 0.138 -3.576 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.577 1.342 -2.638 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.345 -0.626 -3.654 1.00 0.00 C ATOM 0 H LEU A 45 -8.513 -0.096 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.420 -2.458 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.707 -0.111 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.593 -1.273 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.851 0.488 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.738 1.972 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.501 1.918 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.429 0.996 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.549 0.054 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.111 -1.048 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.432 -1.430 -4.385 1.00 0.00 H new ATOM 668 N ALA A 46 -10.714 -2.102 -4.044 1.00 0.00 N ATOM 669 CA ALA A 46 -11.923 -2.859 -3.728 1.00 0.00 C ATOM 670 C ALA A 46 -11.921 -4.143 -4.561 1.00 0.00 C ATOM 671 O ALA A 46 -12.073 -5.231 -3.998 1.00 0.00 O ATOM 672 CB ALA A 46 -13.204 -2.066 -4.012 1.00 0.00 C ATOM 0 H ALA A 46 -10.886 -1.179 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.915 -3.081 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.072 -2.675 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.211 -1.157 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.241 -1.801 -5.069 1.00 0.00 H new ATOM 678 N SER A 47 -11.713 -4.014 -5.874 1.00 0.00 N ATOM 679 CA SER A 47 -11.675 -5.124 -6.819 1.00 0.00 C ATOM 680 C SER A 47 -10.590 -6.143 -6.471 1.00 0.00 C ATOM 681 O SER A 47 -10.723 -7.318 -6.813 1.00 0.00 O ATOM 682 CB SER A 47 -11.486 -4.569 -8.230 1.00 0.00 C ATOM 683 OG SER A 47 -11.996 -5.468 -9.197 1.00 0.00 O ATOM 0 H SER A 47 -11.563 -3.108 -6.317 1.00 0.00 H new ATOM 0 HA SER A 47 -12.622 -5.661 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.992 -3.608 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.427 -4.390 -8.416 1.00 0.00 H new ATOM 0 HG SER A 47 -11.866 -5.093 -10.093 1.00 0.00 H new ATOM 689 N LEU A 48 -9.532 -5.748 -5.760 1.00 0.00 N ATOM 690 CA LEU A 48 -8.441 -6.629 -5.348 1.00 0.00 C ATOM 691 C LEU A 48 -8.811 -7.429 -4.081 1.00 0.00 C ATOM 692 O LEU A 48 -7.941 -7.991 -3.407 1.00 0.00 O ATOM 693 CB LEU A 48 -7.136 -5.818 -5.245 1.00 0.00 C ATOM 694 CG LEU A 48 -6.568 -5.456 -6.638 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.511 -4.355 -6.534 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.921 -6.671 -7.321 1.00 0.00 C ATOM 0 H LEU A 48 -9.409 -4.785 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.268 -7.393 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.320 -4.904 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.395 -6.392 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.413 -5.110 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.130 -4.121 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.958 -3.462 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.691 -4.696 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.534 -6.377 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.103 -7.043 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.666 -7.456 -7.448 1.00 0.00 H new ATOM 708 N LYS A 49 -10.114 -7.555 -3.780 1.00 0.00 N ATOM 709 CA LYS A 49 -10.707 -8.273 -2.646 1.00 0.00 C ATOM 710 C LYS A 49 -10.264 -7.696 -1.294 1.00 0.00 C ATOM 711 O LYS A 49 -10.251 -8.399 -0.281 1.00 0.00 O ATOM 712 CB LYS A 49 -10.503 -9.807 -2.739 1.00 0.00 C ATOM 713 CG LYS A 49 -10.897 -10.535 -4.041 1.00 0.00 C ATOM 714 CD LYS A 49 -9.942 -10.265 -5.219 1.00 0.00 C ATOM 715 CE LYS A 49 -9.665 -11.452 -6.139 1.00 0.00 C ATOM 716 NZ LYS A 49 -8.779 -12.446 -5.503 1.00 0.00 N ATOM 0 H LYS A 49 -10.830 -7.126 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.783 -8.111 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.448 -10.011 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.064 -10.264 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.930 -11.608 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.904 -10.231 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.356 -9.454 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.992 -9.912 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.607 -11.927 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.208 -11.097 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.615 -13.236 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.870 -11.999 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.226 -12.804 -4.635 1.00 0.00 H new ATOM 730 N ILE A 50 -9.858 -6.429 -1.252 1.00 0.00 N ATOM 731 CA ILE A 50 -9.414 -5.751 -0.041 1.00 0.00 C ATOM 732 C ILE A 50 -10.677 -5.227 0.660 1.00 0.00 C ATOM 733 O ILE A 50 -11.376 -4.398 0.066 1.00 0.00 O ATOM 734 CB ILE A 50 -8.433 -4.621 -0.414 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.362 -5.050 -1.445 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.746 -4.106 0.850 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.408 -6.159 -0.989 1.00 0.00 C ATOM 0 H ILE A 50 -9.829 -5.833 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.877 -6.417 0.634 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.024 -3.835 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.869 -5.382 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.771 -4.174 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.052 -3.307 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.496 -3.722 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.199 -4.921 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.700 -6.381 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.865 -5.830 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.980 -7.056 -0.752 1.00 0.00 H new ATOM 749 N PRO A 51 -11.034 -5.699 1.868 1.00 0.00 N ATOM 750 CA PRO A 51 -12.220 -5.218 2.565 1.00 0.00 C ATOM 751 C PRO A 51 -11.980 -3.785 3.036 1.00 0.00 C ATOM 752 O PRO A 51 -10.854 -3.428 3.394 1.00 0.00 O ATOM 753 CB PRO A 51 -12.405 -6.166 3.750 1.00 0.00 C ATOM 754 CG PRO A 51 -10.982 -6.623 4.068 1.00 0.00 C ATOM 755 CD PRO A 51 -10.329 -6.674 2.688 1.00 0.00 C ATOM 0 HA PRO A 51 -13.108 -5.206 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.864 -5.661 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.049 -7.007 3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.472 -5.925 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.969 -7.597 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.267 -6.435 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.406 -7.673 2.258 1.00 0.00 H new ATOM 763 N GLU A 52 -13.033 -2.968 3.108 1.00 0.00 N ATOM 764 CA GLU A 52 -12.921 -1.574 3.536 1.00 0.00 C ATOM 765 C GLU A 52 -12.282 -1.418 4.925 1.00 0.00 C ATOM 766 O GLU A 52 -11.560 -0.445 5.160 1.00 0.00 O ATOM 767 CB GLU A 52 -14.271 -0.865 3.442 1.00 0.00 C ATOM 768 CG GLU A 52 -15.355 -1.490 4.330 1.00 0.00 C ATOM 769 CD GLU A 52 -16.299 -0.416 4.839 1.00 0.00 C ATOM 770 OE1 GLU A 52 -17.402 -0.293 4.266 1.00 0.00 O ATOM 771 OE2 GLU A 52 -15.904 0.302 5.790 1.00 0.00 O ATOM 0 H GLU A 52 -13.983 -3.254 2.872 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.235 -1.086 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.143 0.181 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.609 -0.880 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.913 -2.237 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.893 -2.007 5.171 1.00 0.00 H new ATOM 778 N GLN A 53 -12.489 -2.417 5.794 1.00 0.00 N ATOM 779 CA GLN A 53 -12.007 -2.533 7.172 1.00 0.00 C ATOM 780 C GLN A 53 -10.482 -2.400 7.266 1.00 0.00 C ATOM 781 O GLN A 53 -9.946 -2.115 8.341 1.00 0.00 O ATOM 782 CB GLN A 53 -12.467 -3.882 7.753 1.00 0.00 C ATOM 783 CG GLN A 53 -13.992 -4.085 7.676 1.00 0.00 C ATOM 784 CD GLN A 53 -14.455 -5.453 8.173 1.00 0.00 C ATOM 785 OE1 GLN A 53 -13.731 -6.442 8.112 1.00 0.00 O ATOM 786 NE2 GLN A 53 -15.682 -5.569 8.646 1.00 0.00 N ATOM 0 H GLN A 53 -13.044 -3.230 5.526 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.430 -1.713 7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.971 -4.690 7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.150 -3.950 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.483 -3.309 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.315 -3.955 6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.288 -4.750 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.024 -6.478 8.959 1.00 0.00 H new ATOM 795 N PHE A 54 -9.785 -2.622 6.150 1.00 0.00 N ATOM 796 CA PHE A 54 -8.346 -2.516 6.019 1.00 0.00 C ATOM 797 C PHE A 54 -8.027 -1.569 4.860 1.00 0.00 C ATOM 798 O PHE A 54 -7.220 -0.669 5.048 1.00 0.00 O ATOM 799 CB PHE A 54 -7.713 -3.898 5.837 1.00 0.00 C ATOM 800 CG PHE A 54 -6.330 -3.810 5.227 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.177 -4.051 3.852 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.234 -3.365 5.991 1.00 0.00 C ATOM 803 CE1 PHE A 54 -4.926 -3.867 3.237 1.00 0.00 C ATOM 804 CE2 PHE A 54 -3.984 -3.172 5.377 1.00 0.00 C ATOM 805 CZ PHE A 54 -3.830 -3.428 4.002 1.00 0.00 C ATOM 0 H PHE A 54 -10.238 -2.893 5.277 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.915 -2.102 6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.652 -4.400 6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.352 -4.509 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.023 -4.379 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.353 -3.172 7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.807 -4.062 2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.143 -2.828 5.960 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.868 -3.287 3.533 1.00 0.00 H new ATOM 815 N ARG A 55 -8.699 -1.669 3.705 1.00 0.00 N ATOM 816 CA ARG A 55 -8.486 -0.827 2.521 1.00 0.00 C ATOM 817 C ARG A 55 -8.418 0.662 2.858 1.00 0.00 C ATOM 818 O ARG A 55 -7.471 1.327 2.442 1.00 0.00 O ATOM 819 CB ARG A 55 -9.610 -1.085 1.512 1.00 0.00 C ATOM 820 CG ARG A 55 -9.366 -0.442 0.139 1.00 0.00 C ATOM 821 CD ARG A 55 -10.658 -0.242 -0.667 1.00 0.00 C ATOM 822 NE ARG A 55 -11.590 0.722 -0.047 1.00 0.00 N ATOM 823 CZ ARG A 55 -12.796 1.034 -0.541 1.00 0.00 C ATOM 824 NH1 ARG A 55 -13.114 0.701 -1.781 1.00 0.00 N ATOM 825 NH2 ARG A 55 -13.710 1.679 0.170 1.00 0.00 N ATOM 0 H ARG A 55 -9.432 -2.364 3.565 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.520 -1.096 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.731 -2.161 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.547 -0.705 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.877 0.522 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.681 -1.068 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.403 0.103 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.161 -1.203 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.296 1.181 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.440 0.205 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.033 0.940 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.507 1.957 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.617 1.898 -0.243 1.00 0.00 H new ATOM 839 N HIS A 56 -9.404 1.194 3.588 1.00 0.00 N ATOM 840 CA HIS A 56 -9.394 2.610 3.937 1.00 0.00 C ATOM 841 C HIS A 56 -8.163 2.924 4.790 1.00 0.00 C ATOM 842 O HIS A 56 -7.642 4.025 4.669 1.00 0.00 O ATOM 843 CB HIS A 56 -10.706 2.998 4.657 1.00 0.00 C ATOM 844 CG HIS A 56 -10.900 4.471 4.987 1.00 0.00 C ATOM 845 ND1 HIS A 56 -10.033 5.509 4.714 1.00 0.00 N ATOM 846 CD2 HIS A 56 -12.003 5.030 5.582 1.00 0.00 C ATOM 847 CE1 HIS A 56 -10.591 6.655 5.133 1.00 0.00 C ATOM 848 NE2 HIS A 56 -11.789 6.412 5.689 1.00 0.00 N ATOM 0 H HIS A 56 -10.205 0.671 3.942 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.335 3.207 3.027 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.542 2.676 4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.763 2.432 5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -9.120 5.420 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.883 4.498 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.141 7.632 5.037 1.00 0.00 H new ATOM 856 N ALA A 57 -7.681 2.000 5.626 1.00 0.00 N ATOM 857 CA ALA A 57 -6.535 2.213 6.490 1.00 0.00 C ATOM 858 C ALA A 57 -5.256 2.374 5.693 1.00 0.00 C ATOM 859 O ALA A 57 -4.530 3.340 5.923 1.00 0.00 O ATOM 860 CB ALA A 57 -6.386 1.062 7.486 1.00 0.00 C ATOM 0 H ALA A 57 -8.089 1.070 5.717 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.712 3.138 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.521 1.242 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.283 0.995 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.248 0.127 6.943 1.00 0.00 H new ATOM 866 N ILE A 58 -4.964 1.432 4.795 1.00 0.00 N ATOM 867 CA ILE A 58 -3.774 1.480 3.967 1.00 0.00 C ATOM 868 C ILE A 58 -3.845 2.703 3.077 1.00 0.00 C ATOM 869 O ILE A 58 -2.918 3.515 3.113 1.00 0.00 O ATOM 870 CB ILE A 58 -3.583 0.163 3.190 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.665 0.232 1.953 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.862 -0.468 2.635 1.00 0.00 C ATOM 873 CD1 ILE A 58 -1.357 1.008 2.015 1.00 0.00 C ATOM 0 H ILE A 58 -5.552 0.616 4.627 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.885 1.576 4.590 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.141 -0.428 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.420 -0.793 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.253 0.653 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.614 -1.389 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.543 -0.693 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.341 0.227 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.849 0.943 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.564 2.053 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.719 0.585 2.791 1.00 0.00 H new ATOM 885 N TRP A 59 -4.940 2.864 2.327 1.00 0.00 N ATOM 886 CA TRP A 59 -5.045 4.013 1.443 1.00 0.00 C ATOM 887 C TRP A 59 -4.884 5.305 2.242 1.00 0.00 C ATOM 888 O TRP A 59 -4.116 6.170 1.840 1.00 0.00 O ATOM 889 CB TRP A 59 -6.289 3.959 0.560 1.00 0.00 C ATOM 890 CG TRP A 59 -6.065 4.599 -0.776 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.163 4.190 -1.694 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.699 5.769 -1.361 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.229 4.990 -2.817 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.205 5.951 -2.685 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.635 6.702 -0.887 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -6.680 6.966 -3.527 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.140 7.711 -1.729 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.673 7.834 -3.051 1.00 0.00 C ATOM 0 H TRP A 59 -5.740 2.231 2.317 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.222 3.987 0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.586 2.920 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.114 4.460 1.067 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.487 3.357 -1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.632 4.883 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.972 6.645 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.287 7.078 -4.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.890 8.394 -1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.079 8.597 -3.699 1.00 0.00 H new ATOM 909 N LYS A 60 -5.550 5.441 3.396 1.00 0.00 N ATOM 910 CA LYS A 60 -5.414 6.624 4.249 1.00 0.00 C ATOM 911 C LYS A 60 -3.950 6.764 4.644 1.00 0.00 C ATOM 912 O LYS A 60 -3.456 7.880 4.655 1.00 0.00 O ATOM 913 CB LYS A 60 -6.307 6.488 5.501 1.00 0.00 C ATOM 914 CG LYS A 60 -6.193 7.572 6.586 1.00 0.00 C ATOM 915 CD LYS A 60 -5.038 7.363 7.586 1.00 0.00 C ATOM 916 CE LYS A 60 -5.361 8.034 8.925 1.00 0.00 C ATOM 917 NZ LYS A 60 -4.268 7.906 9.913 1.00 0.00 N ATOM 0 H LYS A 60 -6.193 4.738 3.761 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.735 7.514 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.345 6.454 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.089 5.526 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.065 8.540 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.131 7.614 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.869 6.297 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.116 7.777 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.568 9.091 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.269 7.593 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.543 8.378 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.085 6.899 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.406 8.350 9.537 1.00 0.00 H new ATOM 931 N GLY A 61 -3.262 5.667 4.953 1.00 0.00 N ATOM 932 CA GLY A 61 -1.877 5.664 5.361 1.00 0.00 C ATOM 933 C GLY A 61 -0.955 6.281 4.330 1.00 0.00 C ATOM 934 O GLY A 61 -0.135 7.135 4.669 1.00 0.00 O ATOM 0 H GLY A 61 -3.673 4.734 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.779 6.209 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.563 4.638 5.554 1.00 0.00 H new ATOM 938 N ILE A 62 -1.052 5.839 3.075 1.00 0.00 N ATOM 939 CA ILE A 62 -0.192 6.375 2.033 1.00 0.00 C ATOM 940 C ILE A 62 -0.631 7.766 1.657 1.00 0.00 C ATOM 941 O ILE A 62 0.228 8.634 1.544 1.00 0.00 O ATOM 942 CB ILE A 62 -0.071 5.432 0.841 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.060 5.971 -0.071 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.376 5.145 0.082 1.00 0.00 C ATOM 945 CD1 ILE A 62 1.438 5.087 -1.255 1.00 0.00 C ATOM 0 H ILE A 62 -1.708 5.123 2.764 1.00 0.00 H new ATOM 0 HA ILE A 62 0.820 6.455 2.429 1.00 0.00 H new ATOM 0 HB ILE A 62 0.181 4.443 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.759 6.947 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.949 6.128 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.174 4.464 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.098 4.689 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.783 6.078 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.238 5.562 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.777 4.117 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.569 4.949 -1.898 1.00 0.00 H new ATOM 957 N LEU A 63 -1.938 7.996 1.520 1.00 0.00 N ATOM 958 CA LEU A 63 -2.436 9.324 1.182 1.00 0.00 C ATOM 959 C LEU A 63 -1.966 10.313 2.250 1.00 0.00 C ATOM 960 O LEU A 63 -1.763 11.482 1.945 1.00 0.00 O ATOM 961 CB LEU A 63 -3.967 9.325 1.031 1.00 0.00 C ATOM 962 CG LEU A 63 -4.477 9.056 -0.401 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.245 10.274 -1.293 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.839 7.848 -1.095 1.00 0.00 C ATOM 0 H LEU A 63 -2.661 7.286 1.637 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.034 9.630 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.384 8.570 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.350 10.290 1.363 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.538 8.840 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.611 10.064 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.779 11.132 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.179 10.497 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.260 7.739 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.762 7.998 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.041 6.947 -0.516 1.00 0.00 H new ATOM 976 N ASP A 64 -1.841 9.857 3.496 1.00 0.00 N ATOM 977 CA ASP A 64 -1.381 10.647 4.647 1.00 0.00 C ATOM 978 C ASP A 64 0.121 10.893 4.576 1.00 0.00 C ATOM 979 O ASP A 64 0.603 11.957 4.947 1.00 0.00 O ATOM 980 CB ASP A 64 -1.716 9.946 5.969 1.00 0.00 C ATOM 981 CG ASP A 64 -1.191 10.688 7.197 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.391 10.101 7.966 1.00 0.00 O ATOM 983 OD2 ASP A 64 -1.733 11.763 7.535 1.00 0.00 O ATOM 0 H ASP A 64 -2.064 8.893 3.745 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.903 11.603 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.798 9.840 6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.297 8.940 5.955 1.00 0.00 H new ATOM 988 N HIS A 65 0.871 9.888 4.129 1.00 0.00 N ATOM 989 CA HIS A 65 2.313 9.962 4.005 1.00 0.00 C ATOM 990 C HIS A 65 2.648 10.957 2.901 1.00 0.00 C ATOM 991 O HIS A 65 3.345 11.939 3.145 1.00 0.00 O ATOM 992 CB HIS A 65 2.916 8.581 3.709 1.00 0.00 C ATOM 993 CG HIS A 65 4.385 8.701 3.386 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.348 9.285 4.180 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.933 8.510 2.146 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.448 9.459 3.430 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.247 8.990 2.184 1.00 0.00 N ATOM 0 H HIS A 65 0.483 8.990 3.841 1.00 0.00 H new ATOM 0 HA HIS A 65 2.746 10.299 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.780 7.927 4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.391 8.121 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.440 8.069 1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.365 9.912 3.777 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.920 8.985 1.418 1.00 0.00 H new ATOM 1005 N ARG A 66 2.130 10.726 1.693 1.00 0.00 N ATOM 1006 CA ARG A 66 2.377 11.607 0.563 1.00 0.00 C ATOM 1007 C ARG A 66 1.820 12.993 0.860 1.00 0.00 C ATOM 1008 O ARG A 66 2.421 13.962 0.419 1.00 0.00 O ATOM 1009 CB ARG A 66 1.869 10.980 -0.747 1.00 0.00 C ATOM 1010 CG ARG A 66 0.351 10.755 -0.785 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.406 11.858 -1.520 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.398 11.610 -2.966 1.00 0.00 N ATOM 1013 CZ ARG A 66 -1.248 12.093 -3.870 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -2.211 12.937 -3.515 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -1.128 11.712 -5.132 1.00 0.00 N ATOM 0 H ARG A 66 1.533 9.928 1.477 1.00 0.00 H new ATOM 0 HA ARG A 66 3.449 11.735 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.151 11.625 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.371 10.025 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.145 9.799 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.024 10.685 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.433 11.905 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.051 12.825 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 66 0.340 11.000 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.305 13.222 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.856 13.300 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.393 11.058 -5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.771 12.073 -5.837 1.00 0.00 H new ATOM 1029 N GLN A 67 0.715 13.125 1.606 1.00 0.00 N ATOM 1030 CA GLN A 67 0.185 14.450 1.919 1.00 0.00 C ATOM 1031 C GLN A 67 1.117 15.183 2.890 1.00 0.00 C ATOM 1032 O GLN A 67 1.227 16.409 2.825 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.233 14.326 2.495 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.756 15.618 3.123 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.278 15.638 3.150 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.921 15.023 4.007 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.877 16.298 2.174 1.00 0.00 N ATOM 0 H GLN A 67 0.183 12.346 1.995 1.00 0.00 H new ATOM 0 HA GLN A 67 0.130 15.038 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.913 14.017 1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.243 13.537 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.370 15.715 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.388 16.475 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.321 16.797 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.895 16.308 2.115 1.00 0.00 H new ATOM 1046 N LEU A 68 1.764 14.460 3.805 1.00 0.00 N ATOM 1047 CA LEU A 68 2.669 15.036 4.788 1.00 0.00 C ATOM 1048 C LEU A 68 4.127 15.048 4.316 1.00 0.00 C ATOM 1049 O LEU A 68 4.976 15.590 5.022 1.00 0.00 O ATOM 1050 CB LEU A 68 2.512 14.310 6.128 1.00 0.00 C ATOM 1051 CG LEU A 68 1.164 14.539 6.840 1.00 0.00 C ATOM 1052 CD1 LEU A 68 1.098 13.585 8.031 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.984 15.972 7.353 1.00 0.00 C ATOM 0 H LEU A 68 1.670 13.447 3.881 1.00 0.00 H new ATOM 0 HA LEU A 68 2.394 16.082 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.641 13.240 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.315 14.628 6.793 1.00 0.00 H new ATOM 0 HG LEU A 68 0.371 14.359 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.153 13.724 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.169 12.556 7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.925 13.793 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.015 16.064 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.775 16.205 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.034 16.667 6.515 1.00 0.00 H new ATOM 1065 N HIS A 69 4.450 14.457 3.165 1.00 0.00 N ATOM 1066 CA HIS A 69 5.785 14.407 2.587 1.00 0.00 C ATOM 1067 C HIS A 69 5.672 14.748 1.092 1.00 0.00 C ATOM 1068 O HIS A 69 5.033 15.736 0.724 1.00 0.00 O ATOM 1069 CB HIS A 69 6.487 13.067 2.904 1.00 0.00 C ATOM 1070 CG HIS A 69 7.990 13.129 2.710 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.707 12.760 1.587 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.879 13.682 3.593 1.00 0.00 C ATOM 1073 CE1 HIS A 69 9.992 13.097 1.788 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.151 13.649 3.007 1.00 0.00 N ATOM 0 H HIS A 69 3.756 13.981 2.589 1.00 0.00 H new ATOM 0 HA HIS A 69 6.440 15.152 3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.270 12.783 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.075 12.286 2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.641 14.075 4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.787 12.946 1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.024 13.977 3.421 1.00 0.00 H new ATOM 1082 N ASP A 70 6.352 13.991 0.244 1.00 0.00 N ATOM 1083 CA ASP A 70 6.454 14.072 -1.202 1.00 0.00 C ATOM 1084 C ASP A 70 6.899 12.694 -1.668 1.00 0.00 C ATOM 1085 O ASP A 70 6.604 12.333 -2.823 1.00 0.00 O ATOM 1086 CB ASP A 70 7.456 15.173 -1.596 1.00 0.00 C ATOM 1087 CG ASP A 70 8.762 14.681 -2.222 1.00 0.00 C ATOM 1088 OD1 ASP A 70 8.786 14.431 -3.446 1.00 0.00 O ATOM 1089 OD2 ASP A 70 9.828 14.714 -1.572 1.00 0.00 O ATOM 0 H ASP A 70 6.911 13.214 0.597 1.00 0.00 H new ATOM 0 HA ASP A 70 5.508 14.339 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.969 15.849 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.697 15.756 -0.707 1.00 0.00 H new TER 1094 ASP A 70