USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= -0.203 USER MOD Set 1.2: A 54 MET CE :methyl -150:sc= 0 (180deg=-1.88) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -105:sc= -0.943 (180deg=0) USER MOD Set 2.2: A 52 ASN : amide:sc= -8.07! C(o=-9!,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 176:sc= -1.67 (180deg=-1.84) USER MOD Single : A 14 SER OG : rot 180:sc= 0.208 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.64! C(o=-5.6!,f=-6.7!) USER MOD Single : A 34 THR OG1 : rot -70:sc= -1.52 USER MOD Single : A 37 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-7.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -55:sc= 1.18 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= -1.53 USER MOD Single : A 79 ASN : amide:sc= -3.64! K(o=-3.6!,f=-0.093) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -127:sc= -0.308 (180deg=-1.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.858 18.208 6.997 1.00 0.00 N ATOM 2 CA MET A 1 10.670 17.369 6.691 1.00 0.00 C ATOM 3 C MET A 1 9.394 17.990 7.247 1.00 0.00 C ATOM 4 O MET A 1 9.406 18.633 8.296 1.00 0.00 O ATOM 5 CB MET A 1 10.889 15.985 7.305 1.00 0.00 C ATOM 6 CG MET A 1 10.944 14.868 6.278 1.00 0.00 C ATOM 7 SD MET A 1 12.292 15.071 5.098 1.00 0.00 S ATOM 8 CE MET A 1 11.875 13.819 3.887 1.00 0.00 C ATOM 0 H1 MET A 1 12.710 17.759 6.606 1.00 0.00 H new ATOM 0 H2 MET A 1 11.737 19.150 6.572 1.00 0.00 H new ATOM 0 H3 MET A 1 11.959 18.304 8.028 1.00 0.00 H new ATOM 0 HA MET A 1 10.553 17.294 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.819 15.991 7.873 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.085 15.779 8.012 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.057 13.913 6.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.998 14.829 5.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.619 13.821 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.860 12.840 4.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.892 14.033 3.466 1.00 0.00 H new ATOM 20 N GLY A 2 8.294 17.793 6.528 1.00 0.00 N ATOM 21 CA GLY A 2 7.011 18.324 6.952 1.00 0.00 C ATOM 22 C GLY A 2 5.866 17.701 6.182 1.00 0.00 C ATOM 23 O GLY A 2 4.725 18.158 6.264 1.00 0.00 O ATOM 0 H GLY A 2 8.269 17.271 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.875 18.141 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.000 19.405 6.811 1.00 0.00 H new ATOM 27 N ASP A 3 6.193 16.697 5.375 1.00 0.00 N ATOM 28 CA ASP A 3 5.202 15.999 4.562 1.00 0.00 C ATOM 29 C ASP A 3 4.634 14.789 5.294 1.00 0.00 C ATOM 30 O ASP A 3 5.209 14.318 6.274 1.00 0.00 O ATOM 31 CB ASP A 3 5.822 15.557 3.235 1.00 0.00 C ATOM 32 CG ASP A 3 6.695 16.632 2.616 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.205 17.768 2.444 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.867 16.337 2.302 1.00 0.00 O ATOM 0 H ASP A 3 7.144 16.346 5.266 1.00 0.00 H new ATOM 0 HA ASP A 3 4.385 16.693 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.417 14.658 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.028 15.292 2.537 1.00 0.00 H new ATOM 39 N VAL A 4 3.495 14.295 4.817 1.00 0.00 N ATOM 40 CA VAL A 4 2.867 13.114 5.400 1.00 0.00 C ATOM 41 C VAL A 4 3.017 11.899 4.485 1.00 0.00 C ATOM 42 O VAL A 4 2.679 11.958 3.305 1.00 0.00 O ATOM 43 CB VAL A 4 1.371 13.342 5.683 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.925 12.490 6.861 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.087 14.814 5.942 1.00 0.00 C ATOM 0 H VAL A 4 2.988 14.695 4.028 1.00 0.00 H new ATOM 0 HA VAL A 4 3.380 12.926 6.343 1.00 0.00 H new ATOM 0 HB VAL A 4 0.802 13.042 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.135 12.659 7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.088 11.437 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.501 12.762 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.024 14.950 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.662 15.149 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.371 15.399 5.067 1.00 0.00 H new ATOM 55 N VAL A 5 3.499 10.791 5.041 1.00 0.00 N ATOM 56 CA VAL A 5 3.655 9.558 4.272 1.00 0.00 C ATOM 57 C VAL A 5 2.817 8.431 4.867 1.00 0.00 C ATOM 58 O VAL A 5 3.064 7.995 5.987 1.00 0.00 O ATOM 59 CB VAL A 5 5.127 9.099 4.214 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.249 7.781 3.465 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.989 10.165 3.562 1.00 0.00 C ATOM 0 H VAL A 5 3.787 10.720 6.017 1.00 0.00 H new ATOM 0 HA VAL A 5 3.312 9.780 3.261 1.00 0.00 H new ATOM 0 HB VAL A 5 5.480 8.946 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.295 7.475 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.662 7.017 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.878 7.905 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.024 9.826 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.635 10.349 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.928 11.087 4.141 1.00 0.00 H new ATOM 71 N ALA A 6 1.846 7.942 4.100 1.00 0.00 N ATOM 72 CA ALA A 6 1.001 6.841 4.553 1.00 0.00 C ATOM 73 C ALA A 6 1.588 5.512 4.099 1.00 0.00 C ATOM 74 O ALA A 6 2.500 5.488 3.277 1.00 0.00 O ATOM 75 CB ALA A 6 -0.417 7.007 4.028 1.00 0.00 C ATOM 0 H ALA A 6 1.626 8.289 3.166 1.00 0.00 H new ATOM 0 HA ALA A 6 0.964 6.852 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.033 6.178 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.833 7.946 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.403 7.017 2.938 1.00 0.00 H new ATOM 81 N THR A 7 1.091 4.409 4.651 1.00 0.00 N ATOM 82 CA THR A 7 1.606 3.095 4.283 1.00 0.00 C ATOM 83 C THR A 7 0.501 2.044 4.210 1.00 0.00 C ATOM 84 O THR A 7 -0.301 1.880 5.142 1.00 0.00 O ATOM 85 CB THR A 7 2.693 2.651 5.255 1.00 0.00 C ATOM 86 OG1 THR A 7 3.616 3.700 5.491 1.00 0.00 O ATOM 87 CG2 THR A 7 3.472 1.451 4.761 1.00 0.00 C ATOM 0 H THR A 7 0.343 4.398 5.345 1.00 0.00 H new ATOM 0 HA THR A 7 2.037 3.188 3.286 1.00 0.00 H new ATOM 0 HB THR A 7 2.172 2.376 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.304 3.395 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.231 1.182 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.793 0.611 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.954 1.695 3.814 1.00 0.00 H new ATOM 95 N ILE A 8 0.506 1.316 3.098 1.00 0.00 N ATOM 96 CA ILE A 8 -0.478 0.277 2.824 1.00 0.00 C ATOM 97 C ILE A 8 0.214 -1.074 2.604 1.00 0.00 C ATOM 98 O ILE A 8 0.890 -1.272 1.596 1.00 0.00 O ATOM 99 CB ILE A 8 -1.296 0.651 1.571 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.751 2.115 1.647 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.482 -0.273 1.413 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.853 2.368 2.657 1.00 0.00 C ATOM 0 H ILE A 8 1.198 1.432 2.357 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.145 0.193 3.682 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.659 0.535 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.893 2.739 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.096 2.429 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.046 0.008 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.132 -1.300 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.125 -0.194 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.118 3.425 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.728 1.773 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.506 2.088 3.652 1.00 0.00 H new ATOM 114 N LYS A 9 0.105 -1.973 3.584 1.00 0.00 N ATOM 115 CA LYS A 9 0.764 -3.285 3.510 1.00 0.00 C ATOM 116 C LYS A 9 -0.185 -4.370 3.012 1.00 0.00 C ATOM 117 O LYS A 9 -0.932 -4.958 3.789 1.00 0.00 O ATOM 118 CB LYS A 9 1.321 -3.679 4.876 1.00 0.00 C ATOM 119 CG LYS A 9 1.450 -2.518 5.854 1.00 0.00 C ATOM 120 CD LYS A 9 2.895 -2.104 6.057 1.00 0.00 C ATOM 121 CE LYS A 9 3.605 -3.013 7.047 1.00 0.00 C ATOM 122 NZ LYS A 9 5.083 -2.833 7.004 1.00 0.00 N ATOM 0 H LYS A 9 -0.432 -1.820 4.438 1.00 0.00 H new ATOM 0 HA LYS A 9 1.581 -3.196 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.674 -4.439 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.301 -4.135 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.878 -1.667 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.016 -2.802 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.418 -2.127 5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.932 -1.075 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.243 -2.806 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.359 -4.052 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.517 -3.640 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.311 -1.955 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.454 -2.779 7.974 1.00 0.00 H new ATOM 136 N VAL A 10 -0.134 -4.649 1.718 1.00 0.00 N ATOM 137 CA VAL A 10 -1.037 -5.628 1.107 1.00 0.00 C ATOM 138 C VAL A 10 -0.412 -7.022 1.047 1.00 0.00 C ATOM 139 O VAL A 10 0.761 -7.173 0.709 1.00 0.00 O ATOM 140 CB VAL A 10 -1.477 -5.179 -0.314 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.143 -3.709 -0.542 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.857 -6.042 -1.405 1.00 0.00 C ATOM 0 H VAL A 10 0.520 -4.215 1.067 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.919 -5.682 1.745 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.558 -5.308 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.459 -3.415 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.663 -3.099 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.068 -3.561 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.193 -5.691 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.229 -5.974 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.163 -7.079 -1.267 1.00 0.00 H new ATOM 152 N MET A 11 -1.209 -8.043 1.373 1.00 0.00 N ATOM 153 CA MET A 11 -0.736 -9.424 1.333 1.00 0.00 C ATOM 154 C MET A 11 -1.858 -10.390 0.916 1.00 0.00 C ATOM 155 O MET A 11 -2.929 -10.434 1.533 1.00 0.00 O ATOM 156 CB MET A 11 -0.128 -9.830 2.689 1.00 0.00 C ATOM 157 CG MET A 11 -1.053 -10.636 3.591 1.00 0.00 C ATOM 158 SD MET A 11 -0.173 -11.879 4.555 1.00 0.00 S ATOM 159 CE MET A 11 -0.576 -13.365 3.638 1.00 0.00 C ATOM 0 H MET A 11 -2.180 -7.938 1.666 1.00 0.00 H new ATOM 0 HA MET A 11 0.046 -9.488 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.775 -10.412 2.506 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.177 -8.927 3.219 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.575 -9.959 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.813 -11.125 2.982 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.046 -14.214 4.070 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.650 -13.544 3.689 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.277 -13.242 2.597 1.00 0.00 H new ATOM 169 N PRO A 12 -1.622 -11.173 -0.157 1.00 0.00 N ATOM 170 CA PRO A 12 -2.587 -12.150 -0.678 1.00 0.00 C ATOM 171 C PRO A 12 -2.701 -13.375 0.222 1.00 0.00 C ATOM 172 O PRO A 12 -1.712 -14.061 0.481 1.00 0.00 O ATOM 173 CB PRO A 12 -2.008 -12.542 -2.052 1.00 0.00 C ATOM 174 CG PRO A 12 -0.913 -11.564 -2.310 1.00 0.00 C ATOM 175 CD PRO A 12 -0.400 -11.161 -0.962 1.00 0.00 C ATOM 0 HA PRO A 12 -3.594 -11.737 -0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.629 -13.564 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.771 -12.493 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.122 -12.012 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.283 -10.700 -2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.345 -11.860 -0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.067 -10.176 -0.981 1.00 0.00 H new ATOM 183 N GLU A 13 -3.909 -13.629 0.715 1.00 0.00 N ATOM 184 CA GLU A 13 -4.155 -14.766 1.596 1.00 0.00 C ATOM 185 C GLU A 13 -3.732 -16.073 0.938 1.00 0.00 C ATOM 186 O GLU A 13 -3.327 -17.017 1.616 1.00 0.00 O ATOM 187 CB GLU A 13 -5.636 -14.828 1.979 1.00 0.00 C ATOM 188 CG GLU A 13 -5.961 -14.104 3.276 1.00 0.00 C ATOM 189 CD GLU A 13 -7.413 -13.675 3.357 1.00 0.00 C ATOM 190 OE1 GLU A 13 -8.296 -14.510 3.066 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.668 -12.506 3.714 1.00 0.00 O ATOM 0 H GLU A 13 -4.734 -13.062 0.519 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.557 -14.629 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.229 -14.396 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.935 -15.872 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.731 -14.756 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.321 -13.226 3.368 1.00 0.00 H new ATOM 198 N SER A 14 -3.848 -16.129 -0.384 1.00 0.00 N ATOM 199 CA SER A 14 -3.481 -17.325 -1.132 1.00 0.00 C ATOM 200 C SER A 14 -1.971 -17.426 -1.303 1.00 0.00 C ATOM 201 O SER A 14 -1.270 -16.414 -1.298 1.00 0.00 O ATOM 202 CB SER A 14 -4.151 -17.317 -2.509 1.00 0.00 C ATOM 203 OG SER A 14 -3.328 -16.684 -3.473 1.00 0.00 O ATOM 0 H SER A 14 -4.193 -15.361 -0.959 1.00 0.00 H new ATOM 0 HA SER A 14 -3.825 -18.190 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.361 -18.340 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.109 -16.800 -2.448 1.00 0.00 H new ATOM 0 HG SER A 14 -3.778 -16.693 -4.344 1.00 0.00 H new ATOM 209 N PRO A 15 -1.447 -18.652 -1.487 1.00 0.00 N ATOM 210 CA PRO A 15 -0.015 -18.867 -1.694 1.00 0.00 C ATOM 211 C PRO A 15 0.445 -18.334 -3.045 1.00 0.00 C ATOM 212 O PRO A 15 1.629 -18.391 -3.379 1.00 0.00 O ATOM 213 CB PRO A 15 0.133 -20.389 -1.637 1.00 0.00 C ATOM 214 CG PRO A 15 -1.204 -20.914 -2.031 1.00 0.00 C ATOM 215 CD PRO A 15 -2.208 -19.916 -1.524 1.00 0.00 C ATOM 0 HA PRO A 15 0.592 -18.346 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.911 -20.737 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.411 -20.723 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.276 -21.025 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.380 -21.899 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.072 -19.845 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.582 -20.189 -0.537 1.00 0.00 H new ATOM 223 N ASP A 16 -0.506 -17.823 -3.821 1.00 0.00 N ATOM 224 CA ASP A 16 -0.207 -17.259 -5.131 1.00 0.00 C ATOM 225 C ASP A 16 0.092 -15.770 -5.008 1.00 0.00 C ATOM 226 O ASP A 16 -0.341 -14.967 -5.834 1.00 0.00 O ATOM 227 CB ASP A 16 -1.383 -17.479 -6.087 1.00 0.00 C ATOM 228 CG ASP A 16 -1.042 -18.433 -7.215 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.027 -18.257 -7.839 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.844 -19.354 -7.478 1.00 0.00 O ATOM 0 H ASP A 16 -1.492 -17.788 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 16 0.671 -17.764 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.233 -17.871 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.691 -16.521 -6.506 1.00 0.00 H new ATOM 235 N VAL A 17 0.837 -15.417 -3.966 1.00 0.00 N ATOM 236 CA VAL A 17 1.184 -14.024 -3.702 1.00 0.00 C ATOM 237 C VAL A 17 2.092 -13.456 -4.794 1.00 0.00 C ATOM 238 O VAL A 17 3.307 -13.349 -4.613 1.00 0.00 O ATOM 239 CB VAL A 17 1.891 -13.874 -2.337 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.319 -12.429 -2.093 1.00 0.00 C ATOM 241 CG2 VAL A 17 0.988 -14.364 -1.216 1.00 0.00 C ATOM 0 H VAL A 17 1.214 -16.079 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 17 0.248 -13.465 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 17 2.791 -14.489 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.814 -12.355 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.008 -12.116 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.441 -11.783 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.500 -14.252 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.069 -13.777 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.746 -15.415 -1.377 1.00 0.00 H new ATOM 251 N ASP A 18 1.506 -13.112 -5.936 1.00 0.00 N ATOM 252 CA ASP A 18 2.267 -12.510 -7.025 1.00 0.00 C ATOM 253 C ASP A 18 2.699 -11.105 -6.634 1.00 0.00 C ATOM 254 O ASP A 18 1.920 -10.161 -6.739 1.00 0.00 O ATOM 255 CB ASP A 18 1.437 -12.460 -8.307 1.00 0.00 C ATOM 256 CG ASP A 18 -0.040 -12.246 -8.037 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.445 -11.080 -7.847 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.789 -13.244 -8.015 1.00 0.00 O ATOM 0 H ASP A 18 0.513 -13.239 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 18 3.148 -13.124 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.806 -11.656 -8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.571 -13.391 -8.859 1.00 0.00 H new ATOM 263 N LEU A 19 3.914 -10.982 -6.116 1.00 0.00 N ATOM 264 CA LEU A 19 4.424 -9.691 -5.674 1.00 0.00 C ATOM 265 C LEU A 19 4.553 -8.721 -6.842 1.00 0.00 C ATOM 266 O LEU A 19 4.119 -7.573 -6.757 1.00 0.00 O ATOM 267 CB LEU A 19 5.770 -9.859 -4.952 1.00 0.00 C ATOM 268 CG LEU A 19 7.019 -9.531 -5.776 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.500 -8.120 -5.473 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.122 -10.542 -5.500 1.00 0.00 C ATOM 0 H LEU A 19 4.563 -11.759 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 19 3.707 -9.270 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.766 -9.224 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.848 -10.889 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 19 6.759 -9.587 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.388 -7.903 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.714 -7.407 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.743 -8.038 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.001 -10.293 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.381 -10.518 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.775 -11.540 -5.766 1.00 0.00 H new ATOM 282 N GLU A 20 5.088 -9.209 -7.956 1.00 0.00 N ATOM 283 CA GLU A 20 5.299 -8.367 -9.123 1.00 0.00 C ATOM 284 C GLU A 20 3.971 -7.962 -9.737 1.00 0.00 C ATOM 285 O GLU A 20 3.794 -6.820 -10.159 1.00 0.00 O ATOM 286 CB GLU A 20 6.155 -9.100 -10.159 1.00 0.00 C ATOM 287 CG GLU A 20 6.344 -8.323 -11.452 1.00 0.00 C ATOM 288 CD GLU A 20 7.420 -7.260 -11.340 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.123 -6.169 -10.808 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.558 -7.517 -11.785 1.00 0.00 O ATOM 0 H GLU A 20 5.382 -10.179 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 20 5.824 -7.466 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.133 -9.312 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.692 -10.060 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.604 -9.015 -12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.401 -7.853 -11.730 1.00 0.00 H new ATOM 297 N ALA A 21 3.034 -8.899 -9.778 1.00 0.00 N ATOM 298 CA ALA A 21 1.714 -8.610 -10.314 1.00 0.00 C ATOM 299 C ALA A 21 0.944 -7.700 -9.371 1.00 0.00 C ATOM 300 O ALA A 21 0.168 -6.847 -9.802 1.00 0.00 O ATOM 301 CB ALA A 21 0.946 -9.897 -10.571 1.00 0.00 C ATOM 0 H ALA A 21 3.162 -9.856 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 21 1.834 -8.092 -11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.039 -9.659 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.492 -10.509 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.834 -10.447 -9.636 1.00 0.00 H new ATOM 307 N LEU A 22 1.153 -7.906 -8.077 1.00 0.00 N ATOM 308 CA LEU A 22 0.513 -7.086 -7.058 1.00 0.00 C ATOM 309 C LEU A 22 1.032 -5.665 -7.142 1.00 0.00 C ATOM 310 O LEU A 22 0.320 -4.707 -6.852 1.00 0.00 O ATOM 311 CB LEU A 22 0.795 -7.666 -5.666 1.00 0.00 C ATOM 312 CG LEU A 22 -0.271 -7.416 -4.587 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.603 -6.995 -5.195 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.450 -8.658 -3.735 1.00 0.00 C ATOM 0 H LEU A 22 1.762 -8.636 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.564 -7.082 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.932 -8.743 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.741 -7.257 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 22 0.077 -6.595 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.329 -6.828 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.469 -6.074 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.965 -7.781 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.207 -8.471 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.767 -9.489 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.495 -8.908 -3.253 1.00 0.00 H new ATOM 326 N LYS A 23 2.287 -5.552 -7.547 1.00 0.00 N ATOM 327 CA LYS A 23 2.943 -4.266 -7.692 1.00 0.00 C ATOM 328 C LYS A 23 2.158 -3.366 -8.632 1.00 0.00 C ATOM 329 O LYS A 23 1.934 -2.191 -8.343 1.00 0.00 O ATOM 330 CB LYS A 23 4.362 -4.474 -8.213 1.00 0.00 C ATOM 331 CG LYS A 23 5.422 -4.298 -7.138 1.00 0.00 C ATOM 332 CD LYS A 23 6.692 -3.694 -7.701 1.00 0.00 C ATOM 333 CE LYS A 23 7.896 -4.584 -7.431 1.00 0.00 C ATOM 334 NZ LYS A 23 9.020 -3.827 -6.813 1.00 0.00 N ATOM 0 H LYS A 23 2.877 -6.349 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 23 2.987 -3.779 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.444 -5.475 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.553 -3.769 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.034 -3.658 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.647 -5.264 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.581 -3.545 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.857 -2.712 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.603 -5.401 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.232 -5.034 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.820 -4.469 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.317 -3.063 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.708 -3.419 -5.909 1.00 0.00 H new ATOM 348 N LYS A 24 1.732 -3.933 -9.753 1.00 0.00 N ATOM 349 CA LYS A 24 0.946 -3.192 -10.726 1.00 0.00 C ATOM 350 C LYS A 24 -0.422 -2.841 -10.152 1.00 0.00 C ATOM 351 O LYS A 24 -0.906 -1.720 -10.317 1.00 0.00 O ATOM 352 CB LYS A 24 0.782 -4.008 -12.010 1.00 0.00 C ATOM 353 CG LYS A 24 2.013 -4.822 -12.374 1.00 0.00 C ATOM 354 CD LYS A 24 1.869 -5.475 -13.739 1.00 0.00 C ATOM 355 CE LYS A 24 1.765 -6.988 -13.626 1.00 0.00 C ATOM 356 NZ LYS A 24 2.922 -7.673 -14.265 1.00 0.00 N ATOM 0 H LYS A 24 1.918 -4.903 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 24 1.474 -2.268 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.068 -4.681 -11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.547 -3.333 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.891 -4.176 -12.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.179 -5.590 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.982 -5.085 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.726 -5.214 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.711 -7.271 -12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.840 -7.324 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.814 -8.703 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.959 -7.424 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.803 -7.372 -13.802 1.00 0.00 H new ATOM 370 N GLU A 25 -1.042 -3.810 -9.484 1.00 0.00 N ATOM 371 CA GLU A 25 -2.358 -3.601 -8.889 1.00 0.00 C ATOM 372 C GLU A 25 -2.282 -2.578 -7.765 1.00 0.00 C ATOM 373 O GLU A 25 -3.263 -1.902 -7.452 1.00 0.00 O ATOM 374 CB GLU A 25 -2.916 -4.924 -8.358 1.00 0.00 C ATOM 375 CG GLU A 25 -2.925 -6.037 -9.392 1.00 0.00 C ATOM 376 CD GLU A 25 -3.785 -7.214 -8.975 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.025 -7.069 -8.964 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.218 -8.282 -8.662 1.00 0.00 O ATOM 0 H GLU A 25 -0.656 -4.743 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.027 -3.219 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.323 -5.241 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.933 -4.763 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.290 -5.643 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.904 -6.380 -9.560 1.00 0.00 H new ATOM 385 N ILE A 26 -1.111 -2.488 -7.154 1.00 0.00 N ATOM 386 CA ILE A 26 -0.884 -1.565 -6.054 1.00 0.00 C ATOM 387 C ILE A 26 -1.075 -0.116 -6.494 1.00 0.00 C ATOM 388 O ILE A 26 -1.699 0.678 -5.790 1.00 0.00 O ATOM 389 CB ILE A 26 0.532 -1.756 -5.464 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.462 -2.647 -4.221 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.180 -0.419 -5.129 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.579 -3.664 -4.142 1.00 0.00 C ATOM 0 H ILE A 26 -0.297 -3.049 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.622 -1.787 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 26 1.153 -2.242 -6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.491 -2.018 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.495 -3.169 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.174 -0.590 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.261 0.183 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.569 0.108 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.465 -4.260 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.538 -4.317 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.539 -3.149 -4.119 1.00 0.00 H new ATOM 404 N GLN A 27 -0.490 0.238 -7.632 1.00 0.00 N ATOM 405 CA GLN A 27 -0.587 1.599 -8.144 1.00 0.00 C ATOM 406 C GLN A 27 -2.031 1.959 -8.464 1.00 0.00 C ATOM 407 O GLN A 27 -2.437 3.114 -8.344 1.00 0.00 O ATOM 408 CB GLN A 27 0.284 1.764 -9.389 1.00 0.00 C ATOM 409 CG GLN A 27 1.639 1.079 -9.289 1.00 0.00 C ATOM 410 CD GLN A 27 2.309 1.275 -7.941 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.157 2.314 -7.300 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.071 0.275 -7.511 1.00 0.00 N ATOM 0 H GLN A 27 0.055 -0.396 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.228 2.277 -7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.251 1.365 -10.250 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.438 2.827 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.514 0.012 -9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.292 1.464 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.170 -0.570 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.557 0.352 -6.618 1.00 0.00 H new ATOM 421 N GLU A 28 -2.801 0.958 -8.874 1.00 0.00 N ATOM 422 CA GLU A 28 -4.201 1.164 -9.220 1.00 0.00 C ATOM 423 C GLU A 28 -5.049 1.386 -7.972 1.00 0.00 C ATOM 424 O GLU A 28 -6.134 1.961 -8.045 1.00 0.00 O ATOM 425 CB GLU A 28 -4.731 -0.039 -10.003 1.00 0.00 C ATOM 426 CG GLU A 28 -3.743 -0.585 -11.020 1.00 0.00 C ATOM 427 CD GLU A 28 -3.245 0.475 -11.982 1.00 0.00 C ATOM 428 OE1 GLU A 28 -3.988 0.817 -12.927 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.112 0.965 -11.791 1.00 0.00 O ATOM 0 H GLU A 28 -2.479 -0.005 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.268 2.057 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.993 -0.831 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.648 0.248 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.893 -1.022 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.216 -1.388 -11.585 1.00 0.00 H new ATOM 436 N ARG A 29 -4.552 0.919 -6.829 1.00 0.00 N ATOM 437 CA ARG A 29 -5.279 1.060 -5.572 1.00 0.00 C ATOM 438 C ARG A 29 -4.912 2.361 -4.859 1.00 0.00 C ATOM 439 O ARG A 29 -5.643 2.824 -3.982 1.00 0.00 O ATOM 440 CB ARG A 29 -5.011 -0.146 -4.666 1.00 0.00 C ATOM 441 CG ARG A 29 -3.794 0.010 -3.770 1.00 0.00 C ATOM 442 CD ARG A 29 -4.073 -0.481 -2.359 1.00 0.00 C ATOM 443 NE ARG A 29 -3.871 0.570 -1.365 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.795 1.476 -1.052 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.979 1.455 -1.649 1.00 0.00 N ATOM 446 NH2 ARG A 29 -4.537 2.403 -0.142 1.00 0.00 N ATOM 0 H ARG A 29 -3.654 0.442 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.344 1.098 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.888 -0.321 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.880 -1.032 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.957 -0.547 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.496 1.058 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.098 -0.846 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.421 -1.324 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.972 0.612 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.184 0.743 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.685 2.151 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.628 2.424 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.247 3.096 0.096 1.00 0.00 H new ATOM 460 N ILE A 30 -3.778 2.945 -5.239 1.00 0.00 N ATOM 461 CA ILE A 30 -3.315 4.192 -4.634 1.00 0.00 C ATOM 462 C ILE A 30 -4.361 5.297 -4.776 1.00 0.00 C ATOM 463 O ILE A 30 -4.959 5.460 -5.839 1.00 0.00 O ATOM 464 CB ILE A 30 -1.994 4.669 -5.273 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.868 3.669 -4.983 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.624 6.064 -4.773 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.439 3.630 -3.531 1.00 0.00 C ATOM 0 H ILE A 30 -3.162 2.575 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.148 3.987 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.134 4.725 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.194 2.673 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.005 3.920 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.689 6.381 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.415 6.766 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.503 6.042 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.360 2.899 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.080 4.615 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.288 3.348 -2.908 1.00 0.00 H new ATOM 479 N PRO A 31 -4.583 6.087 -3.706 1.00 0.00 N ATOM 480 CA PRO A 31 -5.539 7.197 -3.721 1.00 0.00 C ATOM 481 C PRO A 31 -5.355 8.100 -4.938 1.00 0.00 C ATOM 482 O PRO A 31 -4.291 8.690 -5.131 1.00 0.00 O ATOM 483 CB PRO A 31 -5.228 7.967 -2.428 1.00 0.00 C ATOM 484 CG PRO A 31 -3.952 7.391 -1.909 1.00 0.00 C ATOM 485 CD PRO A 31 -3.914 5.979 -2.402 1.00 0.00 C ATOM 0 HA PRO A 31 -6.568 6.844 -3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.124 9.034 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.033 7.853 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.092 7.955 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.921 7.426 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.893 5.609 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.438 5.299 -1.731 1.00 0.00 H new ATOM 493 N GLU A 32 -6.395 8.186 -5.762 1.00 0.00 N ATOM 494 CA GLU A 32 -6.364 9.002 -6.974 1.00 0.00 C ATOM 495 C GLU A 32 -6.058 10.469 -6.673 1.00 0.00 C ATOM 496 O GLU A 32 -5.918 11.280 -7.589 1.00 0.00 O ATOM 497 CB GLU A 32 -7.702 8.897 -7.708 1.00 0.00 C ATOM 498 CG GLU A 32 -7.578 8.370 -9.128 1.00 0.00 C ATOM 499 CD GLU A 32 -8.377 9.188 -10.124 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.374 10.432 -10.009 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.005 8.585 -11.019 1.00 0.00 O ATOM 0 H GLU A 32 -7.277 7.697 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.562 8.618 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.366 8.243 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.171 9.881 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.528 8.371 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.917 7.335 -9.158 1.00 0.00 H new ATOM 508 N GLY A 33 -5.962 10.811 -5.390 1.00 0.00 N ATOM 509 CA GLY A 33 -5.700 12.187 -5.008 1.00 0.00 C ATOM 510 C GLY A 33 -4.226 12.543 -5.035 1.00 0.00 C ATOM 511 O GLY A 33 -3.863 13.674 -5.358 1.00 0.00 O ATOM 0 H GLY A 33 -6.061 10.161 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.241 12.853 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.091 12.360 -4.005 1.00 0.00 H new ATOM 515 N THR A 34 -3.373 11.586 -4.680 1.00 0.00 N ATOM 516 CA THR A 34 -1.934 11.824 -4.656 1.00 0.00 C ATOM 517 C THR A 34 -1.179 10.722 -5.397 1.00 0.00 C ATOM 518 O THR A 34 -1.688 10.147 -6.358 1.00 0.00 O ATOM 519 CB THR A 34 -1.443 11.920 -3.210 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.537 12.035 -2.317 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.525 13.097 -2.966 1.00 0.00 C ATOM 0 H THR A 34 -3.652 10.644 -4.407 1.00 0.00 H new ATOM 0 HA THR A 34 -1.737 12.767 -5.165 1.00 0.00 H new ATOM 0 HB THR A 34 -0.883 11.002 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.954 12.915 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.214 13.105 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.354 13.012 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.052 14.023 -3.195 1.00 0.00 H new ATOM 529 N GLU A 35 0.040 10.437 -4.945 1.00 0.00 N ATOM 530 CA GLU A 35 0.871 9.414 -5.568 1.00 0.00 C ATOM 531 C GLU A 35 1.552 8.551 -4.515 1.00 0.00 C ATOM 532 O GLU A 35 1.506 8.852 -3.322 1.00 0.00 O ATOM 533 CB GLU A 35 1.922 10.062 -6.471 1.00 0.00 C ATOM 534 CG GLU A 35 1.330 10.894 -7.595 1.00 0.00 C ATOM 535 CD GLU A 35 2.342 11.833 -8.221 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.667 12.861 -7.593 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.809 11.539 -9.342 1.00 0.00 O ATOM 0 H GLU A 35 0.474 10.902 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 35 0.226 8.776 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.569 10.695 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.551 9.282 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.932 10.230 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.491 11.474 -7.210 1.00 0.00 H new ATOM 544 N LEU A 36 2.189 7.479 -4.970 1.00 0.00 N ATOM 545 CA LEU A 36 2.868 6.553 -4.070 1.00 0.00 C ATOM 546 C LEU A 36 4.186 7.136 -3.559 1.00 0.00 C ATOM 547 O LEU A 36 4.520 8.287 -3.839 1.00 0.00 O ATOM 548 CB LEU A 36 3.126 5.201 -4.757 1.00 0.00 C ATOM 549 CG LEU A 36 3.429 5.231 -6.266 1.00 0.00 C ATOM 550 CD1 LEU A 36 2.140 5.307 -7.074 1.00 0.00 C ATOM 551 CD2 LEU A 36 4.365 6.377 -6.632 1.00 0.00 C ATOM 0 H LEU A 36 2.250 7.229 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 36 2.208 6.393 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.964 4.719 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.252 4.569 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 36 3.939 4.301 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.378 5.327 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.522 4.435 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.596 6.213 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.554 6.364 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.904 7.325 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.307 6.263 -6.096 1.00 0.00 H new ATOM 563 N HIS A 37 4.918 6.331 -2.792 1.00 0.00 N ATOM 564 CA HIS A 37 6.197 6.745 -2.224 1.00 0.00 C ATOM 565 C HIS A 37 7.268 5.695 -2.482 1.00 0.00 C ATOM 566 O HIS A 37 8.116 5.854 -3.360 1.00 0.00 O ATOM 567 CB HIS A 37 6.053 6.959 -0.718 1.00 0.00 C ATOM 568 CG HIS A 37 7.307 7.437 -0.053 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.643 8.769 -0.021 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.263 6.724 0.591 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.789 8.839 0.633 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.202 7.625 1.023 1.00 0.00 N ATOM 0 H HIS A 37 4.643 5.380 -2.548 1.00 0.00 H new ATOM 0 HA HIS A 37 6.496 7.678 -2.702 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.258 7.683 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.742 6.022 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.282 5.654 0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.324 9.757 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.053 7.412 1.543 1.00 0.00 H new ATOM 580 N LYS A 38 7.182 4.603 -1.731 1.00 0.00 N ATOM 581 CA LYS A 38 8.133 3.503 -1.838 1.00 0.00 C ATOM 582 C LYS A 38 7.546 2.242 -1.214 1.00 0.00 C ATOM 583 O LYS A 38 7.045 2.272 -0.090 1.00 0.00 O ATOM 584 CB LYS A 38 9.446 3.858 -1.131 1.00 0.00 C ATOM 585 CG LYS A 38 10.387 4.720 -1.959 1.00 0.00 C ATOM 586 CD LYS A 38 10.752 4.053 -3.275 1.00 0.00 C ATOM 587 CE LYS A 38 12.247 4.121 -3.539 1.00 0.00 C ATOM 588 NZ LYS A 38 12.716 5.523 -3.726 1.00 0.00 N ATOM 0 H LYS A 38 6.453 4.455 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 38 8.335 3.325 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.216 4.380 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.960 2.936 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.917 5.683 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.294 4.919 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.432 3.011 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.215 4.537 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.784 3.667 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.485 3.537 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.741 5.525 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.223 5.949 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.512 6.075 -2.868 1.00 0.00 H new ATOM 602 N ILE A 39 7.587 1.140 -1.957 1.00 0.00 N ATOM 603 CA ILE A 39 7.017 -0.116 -1.485 1.00 0.00 C ATOM 604 C ILE A 39 8.055 -0.976 -0.769 1.00 0.00 C ATOM 605 O ILE A 39 9.260 -0.779 -0.928 1.00 0.00 O ATOM 606 CB ILE A 39 6.399 -0.919 -2.640 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.636 0.024 -3.580 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.482 -2.000 -2.088 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.692 -0.680 -4.532 1.00 0.00 C ATOM 0 H ILE A 39 8.008 1.092 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 39 6.233 0.147 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 39 7.192 -1.403 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.067 0.734 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.356 0.601 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.048 -2.565 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.055 -2.672 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.685 -1.538 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.193 0.057 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.256 -1.370 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.947 -1.235 -3.962 1.00 0.00 H new ATOM 621 N ASP A 40 7.573 -1.928 0.030 1.00 0.00 N ATOM 622 CA ASP A 40 8.445 -2.808 0.800 1.00 0.00 C ATOM 623 C ASP A 40 8.093 -4.275 0.581 1.00 0.00 C ATOM 624 O ASP A 40 6.972 -4.697 0.855 1.00 0.00 O ATOM 625 CB ASP A 40 8.318 -2.485 2.285 1.00 0.00 C ATOM 626 CG ASP A 40 9.659 -2.435 2.988 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.289 -1.357 2.988 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.080 -3.474 3.539 1.00 0.00 O ATOM 0 H ASP A 40 6.577 -2.108 0.160 1.00 0.00 H new ATOM 0 HA ASP A 40 9.468 -2.643 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.815 -1.525 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.689 -3.236 2.764 1.00 0.00 H new ATOM 633 N GLU A 41 9.068 -5.061 0.138 1.00 0.00 N ATOM 634 CA GLU A 41 8.854 -6.491 -0.064 1.00 0.00 C ATOM 635 C GLU A 41 9.067 -7.254 1.243 1.00 0.00 C ATOM 636 O GLU A 41 10.077 -7.936 1.417 1.00 0.00 O ATOM 637 CB GLU A 41 9.797 -7.028 -1.144 1.00 0.00 C ATOM 638 CG GLU A 41 9.728 -6.259 -2.453 1.00 0.00 C ATOM 639 CD GLU A 41 10.960 -6.464 -3.314 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.362 -7.631 -3.507 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.524 -5.458 -3.794 1.00 0.00 O ATOM 0 H GLU A 41 10.008 -4.736 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 41 7.825 -6.639 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.820 -6.998 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.558 -8.074 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.844 -6.573 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.610 -5.196 -2.240 1.00 0.00 H new ATOM 648 N GLU A 42 8.125 -7.104 2.172 1.00 0.00 N ATOM 649 CA GLU A 42 8.210 -7.772 3.468 1.00 0.00 C ATOM 650 C GLU A 42 7.349 -9.030 3.487 1.00 0.00 C ATOM 651 O GLU A 42 6.206 -9.006 3.044 1.00 0.00 O ATOM 652 CB GLU A 42 7.774 -6.824 4.585 1.00 0.00 C ATOM 653 CG GLU A 42 8.920 -6.380 5.479 1.00 0.00 C ATOM 654 CD GLU A 42 8.537 -6.345 6.947 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.724 -7.193 7.369 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.054 -5.471 7.674 1.00 0.00 O ATOM 0 H GLU A 42 7.294 -6.525 2.051 1.00 0.00 H new ATOM 0 HA GLU A 42 9.248 -8.061 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.305 -5.945 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.017 -7.316 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.764 -7.056 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.253 -5.389 5.171 1.00 0.00 H new ATOM 663 N PRO A 43 7.884 -10.150 4.004 1.00 0.00 N ATOM 664 CA PRO A 43 7.162 -11.414 4.051 1.00 0.00 C ATOM 665 C PRO A 43 6.324 -11.566 5.310 1.00 0.00 C ATOM 666 O PRO A 43 6.576 -10.914 6.324 1.00 0.00 O ATOM 667 CB PRO A 43 8.284 -12.448 4.011 1.00 0.00 C ATOM 668 CG PRO A 43 9.466 -11.775 4.637 1.00 0.00 C ATOM 669 CD PRO A 43 9.240 -10.281 4.554 1.00 0.00 C ATOM 0 HA PRO A 43 6.443 -11.510 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.008 -13.349 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.502 -12.752 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.579 -12.088 5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.384 -12.053 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.319 -9.812 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.978 -9.802 3.911 1.00 0.00 H new ATOM 677 N ILE A 44 5.306 -12.414 5.224 1.00 0.00 N ATOM 678 CA ILE A 44 4.386 -12.626 6.332 1.00 0.00 C ATOM 679 C ILE A 44 4.306 -14.101 6.712 1.00 0.00 C ATOM 680 O ILE A 44 4.964 -14.545 7.653 1.00 0.00 O ATOM 681 CB ILE A 44 2.977 -12.114 5.974 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.077 -10.908 5.031 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.203 -11.757 7.235 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.736 -9.693 5.656 1.00 0.00 C ATOM 0 H ILE A 44 5.097 -12.968 4.393 1.00 0.00 H new ATOM 0 HA ILE A 44 4.769 -12.066 7.185 1.00 0.00 H new ATOM 0 HB ILE A 44 2.434 -12.907 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.640 -11.198 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.076 -10.635 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.211 -11.397 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.108 -12.641 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.735 -10.977 7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.770 -8.883 4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.162 -9.375 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.750 -9.947 5.963 1.00 0.00 H new ATOM 696 N ALA A 45 3.489 -14.852 5.980 1.00 0.00 N ATOM 697 CA ALA A 45 3.321 -16.278 6.236 1.00 0.00 C ATOM 698 C ALA A 45 4.600 -17.050 5.915 1.00 0.00 C ATOM 699 O ALA A 45 5.700 -16.503 5.987 1.00 0.00 O ATOM 700 CB ALA A 45 2.151 -16.822 5.429 1.00 0.00 C ATOM 0 H ALA A 45 2.932 -14.496 5.203 1.00 0.00 H new ATOM 0 HA ALA A 45 3.109 -16.411 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.036 -17.887 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.238 -16.299 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.340 -16.670 4.366 1.00 0.00 H new ATOM 706 N PHE A 46 4.446 -18.319 5.549 1.00 0.00 N ATOM 707 CA PHE A 46 5.590 -19.157 5.209 1.00 0.00 C ATOM 708 C PHE A 46 6.182 -18.738 3.868 1.00 0.00 C ATOM 709 O PHE A 46 7.381 -18.891 3.633 1.00 0.00 O ATOM 710 CB PHE A 46 5.174 -20.629 5.160 1.00 0.00 C ATOM 711 CG PHE A 46 5.505 -21.389 6.413 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.840 -21.119 7.598 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.480 -22.373 6.403 1.00 0.00 C ATOM 714 CE1 PHE A 46 5.142 -21.818 8.752 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.786 -23.075 7.554 1.00 0.00 C ATOM 716 CZ PHE A 46 6.117 -22.797 8.730 1.00 0.00 C ATOM 0 H PHE A 46 3.543 -18.788 5.481 1.00 0.00 H new ATOM 0 HA PHE A 46 6.349 -19.029 5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.100 -20.689 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.665 -21.109 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.078 -20.354 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.007 -22.594 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.616 -21.599 9.670 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.548 -23.840 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.355 -23.344 9.630 1.00 0.00 H new ATOM 726 N GLY A 47 5.336 -18.191 2.999 1.00 0.00 N ATOM 727 CA GLY A 47 5.793 -17.755 1.693 1.00 0.00 C ATOM 728 C GLY A 47 4.972 -16.610 1.130 1.00 0.00 C ATOM 729 O GLY A 47 5.170 -16.203 -0.015 1.00 0.00 O ATOM 0 H GLY A 47 4.343 -18.042 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.836 -17.447 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.755 -18.597 1.001 1.00 0.00 H new ATOM 733 N LEU A 48 4.040 -16.091 1.928 1.00 0.00 N ATOM 734 CA LEU A 48 3.193 -14.985 1.491 1.00 0.00 C ATOM 735 C LEU A 48 3.812 -13.646 1.875 1.00 0.00 C ATOM 736 O LEU A 48 3.727 -13.217 3.025 1.00 0.00 O ATOM 737 CB LEU A 48 1.789 -15.109 2.093 1.00 0.00 C ATOM 738 CG LEU A 48 1.186 -16.522 2.097 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.326 -16.457 2.258 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.550 -17.276 0.827 1.00 0.00 C ATOM 0 H LEU A 48 3.854 -16.418 2.876 1.00 0.00 H new ATOM 0 HA LEU A 48 3.112 -15.031 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.821 -14.745 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.118 -14.450 1.542 1.00 0.00 H new ATOM 0 HG LEU A 48 1.605 -17.063 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.736 -17.467 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.571 -15.966 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.756 -15.892 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.110 -18.273 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.167 -16.736 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.634 -17.360 0.752 1.00 0.00 H new ATOM 752 N VAL A 49 4.426 -12.987 0.898 1.00 0.00 N ATOM 753 CA VAL A 49 5.089 -11.710 1.132 1.00 0.00 C ATOM 754 C VAL A 49 4.169 -10.530 0.836 1.00 0.00 C ATOM 755 O VAL A 49 3.613 -10.417 -0.255 1.00 0.00 O ATOM 756 CB VAL A 49 6.364 -11.582 0.272 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.994 -10.204 0.427 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.361 -12.673 0.631 1.00 0.00 C ATOM 0 H VAL A 49 4.478 -13.317 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 49 5.357 -11.688 2.188 1.00 0.00 H new ATOM 0 HB VAL A 49 6.080 -11.704 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.890 -10.142 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.283 -9.441 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.261 -10.041 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.254 -12.567 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.634 -12.585 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.911 -13.650 0.453 1.00 0.00 H new ATOM 768 N ALA A 50 4.069 -9.621 1.800 1.00 0.00 N ATOM 769 CA ALA A 50 3.256 -8.422 1.649 1.00 0.00 C ATOM 770 C ALA A 50 4.103 -7.246 1.188 1.00 0.00 C ATOM 771 O ALA A 50 5.305 -7.192 1.447 1.00 0.00 O ATOM 772 CB ALA A 50 2.568 -8.074 2.957 1.00 0.00 C ATOM 0 H ALA A 50 4.545 -9.694 2.699 1.00 0.00 H new ATOM 0 HA ALA A 50 2.499 -8.627 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.966 -7.175 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.925 -8.900 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.319 -7.896 3.727 1.00 0.00 H new ATOM 778 N LEU A 51 3.467 -6.304 0.508 1.00 0.00 N ATOM 779 CA LEU A 51 4.155 -5.121 0.017 1.00 0.00 C ATOM 780 C LEU A 51 3.651 -3.876 0.732 1.00 0.00 C ATOM 781 O LEU A 51 2.466 -3.551 0.674 1.00 0.00 O ATOM 782 CB LEU A 51 3.949 -4.981 -1.492 1.00 0.00 C ATOM 783 CG LEU A 51 4.889 -5.824 -2.358 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.701 -7.305 -2.066 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.655 -5.536 -3.832 1.00 0.00 C ATOM 0 H LEU A 51 2.473 -6.337 0.283 1.00 0.00 H new ATOM 0 HA LEU A 51 5.220 -5.230 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.920 -5.253 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.072 -3.933 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 51 5.917 -5.555 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.378 -7.888 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.919 -7.499 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.671 -7.591 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.331 -6.144 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.624 -5.777 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.842 -4.481 -4.031 1.00 0.00 H new ATOM 797 N ASN A 52 4.558 -3.186 1.413 1.00 0.00 N ATOM 798 CA ASN A 52 4.209 -1.974 2.137 1.00 0.00 C ATOM 799 C ASN A 52 4.376 -0.761 1.240 1.00 0.00 C ATOM 800 O ASN A 52 5.453 -0.169 1.162 1.00 0.00 O ATOM 801 CB ASN A 52 5.078 -1.832 3.387 1.00 0.00 C ATOM 802 CG ASN A 52 5.348 -3.164 4.062 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.444 -3.403 4.569 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.348 -4.037 4.073 1.00 0.00 N ATOM 0 H ASN A 52 5.542 -3.447 1.478 1.00 0.00 H new ATOM 0 HA ASN A 52 3.166 -2.041 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.026 -1.367 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.586 -1.164 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.471 -4.948 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.456 -3.796 3.640 1.00 0.00 H new ATOM 811 N VAL A 53 3.296 -0.404 0.564 1.00 0.00 N ATOM 812 CA VAL A 53 3.304 0.708 -0.370 1.00 0.00 C ATOM 813 C VAL A 53 3.005 2.026 0.328 1.00 0.00 C ATOM 814 O VAL A 53 1.856 2.322 0.659 1.00 0.00 O ATOM 815 CB VAL A 53 2.271 0.495 -1.489 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.513 1.466 -2.635 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.304 -0.943 -1.977 1.00 0.00 C ATOM 0 H VAL A 53 2.395 -0.874 0.647 1.00 0.00 H new ATOM 0 HA VAL A 53 4.305 0.751 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 53 1.278 0.693 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.772 1.299 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.430 2.489 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.511 1.307 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.567 -1.076 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.297 -1.173 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.072 -1.613 -1.149 1.00 0.00 H new ATOM 827 N MET A 54 4.039 2.838 0.491 1.00 0.00 N ATOM 828 CA MET A 54 3.895 4.144 1.120 1.00 0.00 C ATOM 829 C MET A 54 3.455 5.177 0.095 1.00 0.00 C ATOM 830 O MET A 54 3.483 4.917 -1.107 1.00 0.00 O ATOM 831 CB MET A 54 5.218 4.569 1.762 1.00 0.00 C ATOM 832 CG MET A 54 5.513 3.858 3.073 1.00 0.00 C ATOM 833 SD MET A 54 6.987 2.825 2.989 1.00 0.00 S ATOM 834 CE MET A 54 6.915 1.999 4.576 1.00 0.00 C ATOM 0 H MET A 54 4.990 2.615 0.196 1.00 0.00 H new ATOM 0 HA MET A 54 3.133 4.075 1.896 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.031 4.375 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.198 5.645 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.638 4.599 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.657 3.241 3.347 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.926 1.770 4.913 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.429 2.650 5.303 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.346 1.074 4.479 1.00 0.00 H new ATOM 844 N VAL A 55 3.000 6.331 0.574 1.00 0.00 N ATOM 845 CA VAL A 55 2.518 7.381 -0.313 1.00 0.00 C ATOM 846 C VAL A 55 2.960 8.764 0.166 1.00 0.00 C ATOM 847 O VAL A 55 2.933 9.057 1.361 1.00 0.00 O ATOM 848 CB VAL A 55 0.977 7.348 -0.435 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.486 5.925 -0.644 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.317 7.962 0.791 1.00 0.00 C ATOM 0 H VAL A 55 2.956 6.561 1.567 1.00 0.00 H new ATOM 0 HA VAL A 55 2.956 7.192 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 55 0.698 7.943 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.601 5.924 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.921 5.521 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.786 5.309 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.766 7.925 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.608 7.402 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.636 8.999 0.895 1.00 0.00 H new ATOM 860 N VAL A 56 3.381 9.606 -0.774 1.00 0.00 N ATOM 861 CA VAL A 56 3.810 10.963 -0.445 1.00 0.00 C ATOM 862 C VAL A 56 2.661 11.952 -0.615 1.00 0.00 C ATOM 863 O VAL A 56 2.230 12.228 -1.735 1.00 0.00 O ATOM 864 CB VAL A 56 4.993 11.427 -1.318 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.908 12.351 -0.527 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.770 10.240 -1.866 1.00 0.00 C ATOM 0 H VAL A 56 3.434 9.374 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 56 4.132 10.940 0.596 1.00 0.00 H new ATOM 0 HB VAL A 56 4.590 11.981 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.738 12.669 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.346 13.225 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.296 11.821 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.598 10.598 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.160 9.647 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.110 9.623 -2.475 1.00 0.00 H new ATOM 876 N VAL A 57 2.173 12.487 0.500 1.00 0.00 N ATOM 877 CA VAL A 57 1.083 13.456 0.467 1.00 0.00 C ATOM 878 C VAL A 57 1.424 14.689 1.298 1.00 0.00 C ATOM 879 O VAL A 57 2.144 14.599 2.292 1.00 0.00 O ATOM 880 CB VAL A 57 -0.239 12.846 0.977 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.561 11.562 0.226 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.176 12.591 2.476 1.00 0.00 C ATOM 0 H VAL A 57 2.514 12.267 1.436 1.00 0.00 H new ATOM 0 HA VAL A 57 0.951 13.748 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.038 13.563 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.497 11.147 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.659 11.778 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.242 10.841 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.120 12.161 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.637 11.898 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.000 13.532 2.998 1.00 0.00 H new ATOM 892 N GLY A 58 0.917 15.842 0.874 1.00 0.00 N ATOM 893 CA GLY A 58 1.181 17.078 1.588 1.00 0.00 C ATOM 894 C GLY A 58 0.467 18.264 0.972 1.00 0.00 C ATOM 895 O GLY A 58 -0.453 18.821 1.570 1.00 0.00 O ATOM 0 H GLY A 58 0.327 15.943 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.869 16.968 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.254 17.268 1.596 1.00 0.00 H new ATOM 899 N ASP A 59 0.891 18.648 -0.229 1.00 0.00 N ATOM 900 CA ASP A 59 0.279 19.769 -0.932 1.00 0.00 C ATOM 901 C ASP A 59 -0.994 19.326 -1.640 1.00 0.00 C ATOM 902 O ASP A 59 -1.695 20.136 -2.248 1.00 0.00 O ATOM 903 CB ASP A 59 1.262 20.361 -1.945 1.00 0.00 C ATOM 904 CG ASP A 59 2.365 21.163 -1.283 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.827 20.753 -0.198 1.00 0.00 O ATOM 906 OD2 ASP A 59 2.769 22.200 -1.851 1.00 0.00 O ATOM 0 H ASP A 59 1.655 18.199 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 59 0.022 20.534 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.704 19.555 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.720 21.001 -2.641 1.00 0.00 H new ATOM 911 N ALA A 60 -1.283 18.034 -1.555 1.00 0.00 N ATOM 912 CA ALA A 60 -2.474 17.468 -2.175 1.00 0.00 C ATOM 913 C ALA A 60 -3.745 17.979 -1.495 1.00 0.00 C ATOM 914 O ALA A 60 -3.793 19.115 -1.024 1.00 0.00 O ATOM 915 CB ALA A 60 -2.411 15.949 -2.126 1.00 0.00 C ATOM 0 H ALA A 60 -0.705 17.355 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.506 17.787 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.304 15.533 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.528 15.604 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.356 15.620 -1.088 1.00 0.00 H new ATOM 921 N GLU A 61 -4.764 17.129 -1.436 1.00 0.00 N ATOM 922 CA GLU A 61 -6.031 17.496 -0.812 1.00 0.00 C ATOM 923 C GLU A 61 -6.682 16.285 -0.159 1.00 0.00 C ATOM 924 O GLU A 61 -6.032 15.264 0.065 1.00 0.00 O ATOM 925 CB GLU A 61 -6.981 18.105 -1.847 1.00 0.00 C ATOM 926 CG GLU A 61 -6.663 17.712 -3.282 1.00 0.00 C ATOM 927 CD GLU A 61 -7.532 18.437 -4.291 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.748 18.575 -4.037 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.998 18.868 -5.334 1.00 0.00 O ATOM 0 H GLU A 61 -4.738 16.181 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.825 18.238 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.001 17.799 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.947 19.191 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.615 17.927 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.797 16.637 -3.399 1.00 0.00 H new ATOM 936 N GLY A 62 -7.973 16.401 0.134 1.00 0.00 N ATOM 937 CA GLY A 62 -8.693 15.298 0.738 1.00 0.00 C ATOM 938 C GLY A 62 -9.111 14.274 -0.294 1.00 0.00 C ATOM 939 O GLY A 62 -9.923 13.391 -0.014 1.00 0.00 O ATOM 0 H GLY A 62 -8.531 17.237 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.065 14.821 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.575 15.677 1.253 1.00 0.00 H new ATOM 943 N GLY A 63 -8.551 14.399 -1.494 1.00 0.00 N ATOM 944 CA GLY A 63 -8.871 13.476 -2.567 1.00 0.00 C ATOM 945 C GLY A 63 -8.298 12.093 -2.336 1.00 0.00 C ATOM 946 O GLY A 63 -8.577 11.166 -3.099 1.00 0.00 O ATOM 0 H GLY A 63 -7.879 15.126 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.954 13.404 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.488 13.871 -3.508 1.00 0.00 H new ATOM 950 N THR A 64 -7.497 11.948 -1.284 1.00 0.00 N ATOM 951 CA THR A 64 -6.893 10.660 -0.963 1.00 0.00 C ATOM 952 C THR A 64 -7.924 9.722 -0.355 1.00 0.00 C ATOM 953 O THR A 64 -7.650 8.542 -0.131 1.00 0.00 O ATOM 954 CB THR A 64 -5.721 10.837 0.001 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.182 10.945 1.337 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.875 12.055 -0.295 1.00 0.00 C ATOM 0 H THR A 64 -7.252 12.703 -0.643 1.00 0.00 H new ATOM 0 HA THR A 64 -6.521 10.223 -1.890 1.00 0.00 H new ATOM 0 HB THR A 64 -5.103 9.949 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.417 11.056 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.062 12.118 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.461 11.975 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.491 12.951 -0.227 1.00 0.00 H new ATOM 964 N GLU A 65 -9.110 10.257 -0.085 1.00 0.00 N ATOM 965 CA GLU A 65 -10.204 9.466 0.463 1.00 0.00 C ATOM 966 C GLU A 65 -10.479 8.263 -0.425 1.00 0.00 C ATOM 967 O GLU A 65 -11.001 7.242 0.025 1.00 0.00 O ATOM 968 CB GLU A 65 -11.464 10.320 0.567 1.00 0.00 C ATOM 969 CG GLU A 65 -11.859 10.985 -0.742 1.00 0.00 C ATOM 970 CD GLU A 65 -13.343 11.287 -0.819 1.00 0.00 C ATOM 971 OE1 GLU A 65 -14.136 10.523 -0.230 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.711 12.289 -1.468 1.00 0.00 O ATOM 0 H GLU A 65 -9.338 11.239 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.919 9.119 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.289 9.696 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.310 11.089 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.297 11.912 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.580 10.337 -1.573 1.00 0.00 H new ATOM 979 N ALA A 66 -10.103 8.401 -1.688 1.00 0.00 N ATOM 980 CA ALA A 66 -10.312 7.351 -2.677 1.00 0.00 C ATOM 981 C ALA A 66 -9.649 6.050 -2.248 1.00 0.00 C ATOM 982 O ALA A 66 -10.116 4.967 -2.594 1.00 0.00 O ATOM 983 CB ALA A 66 -9.778 7.787 -4.033 1.00 0.00 C ATOM 0 H ALA A 66 -9.648 9.237 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.385 7.175 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.941 6.992 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.299 8.688 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.711 7.993 -3.954 1.00 0.00 H new ATOM 989 N ALA A 67 -8.586 6.159 -1.459 1.00 0.00 N ATOM 990 CA ALA A 67 -7.872 4.981 -0.984 1.00 0.00 C ATOM 991 C ALA A 67 -8.796 4.099 -0.156 1.00 0.00 C ATOM 992 O ALA A 67 -8.986 2.922 -0.465 1.00 0.00 O ATOM 993 CB ALA A 67 -6.655 5.390 -0.170 1.00 0.00 C ATOM 0 H ALA A 67 -8.201 7.047 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.532 4.410 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.133 4.498 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.985 5.984 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.973 5.981 0.688 1.00 0.00 H new ATOM 999 N GLU A 68 -9.392 4.681 0.879 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.326 3.952 1.726 1.00 0.00 C ATOM 1001 C GLU A 68 -11.502 3.440 0.904 1.00 0.00 C ATOM 1002 O GLU A 68 -12.046 2.370 1.177 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.829 4.845 2.861 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.720 5.409 3.732 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.087 5.430 5.203 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.704 6.421 5.646 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.760 4.454 5.910 1.00 0.00 O ATOM 0 H GLU A 68 -9.245 5.653 1.150 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.802 3.099 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.400 5.670 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.514 4.272 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.817 4.814 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.486 6.422 3.405 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.908 4.226 -0.091 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.003 3.843 -0.970 1.00 0.00 C ATOM 1016 C GLU A 69 -12.659 2.560 -1.713 1.00 0.00 C ATOM 1017 O GLU A 69 -13.450 1.617 -1.750 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.301 4.963 -1.969 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.712 5.517 -1.860 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.296 5.896 -3.208 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.900 5.282 -4.221 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.148 6.808 -3.250 1.00 0.00 O ATOM 0 H GLU A 69 -11.493 5.132 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.891 3.671 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.589 5.774 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.144 4.588 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.354 4.775 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.705 6.393 -1.212 1.00 0.00 H new ATOM 1029 N SER A 70 -11.475 2.543 -2.314 1.00 0.00 N ATOM 1030 CA SER A 70 -10.999 1.377 -3.042 1.00 0.00 C ATOM 1031 C SER A 70 -10.812 0.199 -2.096 1.00 0.00 C ATOM 1032 O SER A 70 -10.765 -0.951 -2.526 1.00 0.00 O ATOM 1033 CB SER A 70 -9.684 1.697 -3.755 1.00 0.00 C ATOM 1034 OG SER A 70 -8.589 1.651 -2.856 1.00 0.00 O ATOM 0 H SER A 70 -10.825 3.329 -2.310 1.00 0.00 H new ATOM 0 HA SER A 70 -11.745 1.107 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.524 0.985 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.744 2.686 -4.208 1.00 0.00 H new ATOM 0 HG SER A 70 -8.763 2.247 -2.097 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.716 0.498 -0.803 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.539 -0.533 0.213 1.00 0.00 C ATOM 1042 C LEU A 71 -11.839 -1.297 0.434 1.00 0.00 C ATOM 1043 O LEU A 71 -11.827 -2.478 0.781 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.071 0.098 1.528 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.670 -0.313 1.994 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.579 -1.823 2.156 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.613 0.189 1.020 1.00 0.00 C ATOM 0 H LEU A 71 -10.758 1.448 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.780 -1.234 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.096 1.182 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.785 -0.160 2.310 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.484 0.145 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.576 -2.094 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.308 -2.154 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.788 -2.305 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.625 -0.113 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.796 -0.237 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.660 1.276 0.960 1.00 0.00 H new ATOM 1059 N SER A 72 -12.961 -0.619 0.208 1.00 0.00 N ATOM 1060 CA SER A 72 -14.274 -1.236 0.352 1.00 0.00 C ATOM 1061 C SER A 72 -14.450 -2.360 -0.666 1.00 0.00 C ATOM 1062 O SER A 72 -15.355 -3.188 -0.548 1.00 0.00 O ATOM 1063 CB SER A 72 -15.373 -0.185 0.176 1.00 0.00 C ATOM 1064 OG SER A 72 -16.174 -0.463 -0.960 1.00 0.00 O ATOM 0 H SER A 72 -12.986 0.360 -0.076 1.00 0.00 H new ATOM 0 HA SER A 72 -14.351 -1.661 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.999 -0.158 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.922 0.802 0.073 1.00 0.00 H new ATOM 0 HG SER A 72 -16.868 0.223 -1.047 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.564 -2.384 -1.657 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.604 -3.408 -2.683 1.00 0.00 C ATOM 1072 C GLY A 73 -12.225 -3.682 -3.246 1.00 0.00 C ATOM 1073 O GLY A 73 -12.069 -3.993 -4.427 1.00 0.00 O ATOM 0 H GLY A 73 -12.812 -1.704 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.017 -4.326 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.271 -3.094 -3.486 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.227 -3.551 -2.384 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.833 -3.747 -2.763 1.00 0.00 C ATOM 1079 C ILE A 74 -9.527 -5.230 -2.988 1.00 0.00 C ATOM 1080 O ILE A 74 -10.440 -6.036 -3.163 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.900 -3.152 -1.683 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.564 -2.729 -2.295 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.688 -4.122 -0.530 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.462 -1.240 -2.537 1.00 0.00 C ATOM 0 H ILE A 74 -11.359 -3.306 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.656 -3.226 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.387 -2.265 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.755 -3.039 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.422 -3.254 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.027 -3.669 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.648 -4.352 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.237 -5.041 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.490 -1.008 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.250 -0.928 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.572 -0.709 -1.591 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.240 -5.581 -2.995 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.819 -6.961 -3.207 1.00 0.00 C ATOM 1098 C GLU A 75 -8.565 -7.910 -2.271 1.00 0.00 C ATOM 1099 O GLU A 75 -8.210 -8.053 -1.101 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.308 -7.083 -2.984 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.507 -7.198 -4.270 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.337 -5.864 -4.970 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.269 -5.448 -5.689 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.272 -5.235 -4.799 1.00 0.00 O ATOM 0 H GLU A 75 -7.472 -4.925 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.057 -7.240 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.961 -6.213 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.111 -7.958 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.525 -7.615 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.004 -7.897 -4.943 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.611 -8.547 -2.797 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.413 -9.462 -2.002 1.00 0.00 C ATOM 1113 C GLY A 76 -9.596 -10.588 -1.400 1.00 0.00 C ATOM 1114 O GLY A 76 -9.880 -11.045 -0.292 1.00 0.00 O ATOM 0 H GLY A 76 -9.917 -8.444 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.903 -8.907 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.200 -9.884 -2.626 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.576 -11.030 -2.125 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.708 -12.101 -1.652 1.00 0.00 C ATOM 1120 C VAL A 77 -6.578 -11.537 -0.807 1.00 0.00 C ATOM 1121 O VAL A 77 -6.214 -12.103 0.223 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.108 -12.900 -2.825 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.428 -14.164 -2.320 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.183 -13.233 -3.849 1.00 0.00 C ATOM 0 H VAL A 77 -8.329 -10.663 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.321 -12.771 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.354 -12.283 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.011 -14.714 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.628 -13.896 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.158 -14.789 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.741 -13.797 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.963 -13.830 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.616 -12.310 -4.235 1.00 0.00 H new ATOM 1134 N SER A 78 -6.049 -10.402 -1.238 1.00 0.00 N ATOM 1135 CA SER A 78 -4.964 -9.745 -0.530 1.00 0.00 C ATOM 1136 C SER A 78 -5.499 -8.661 0.391 1.00 0.00 C ATOM 1137 O SER A 78 -5.677 -7.516 -0.025 1.00 0.00 O ATOM 1138 CB SER A 78 -3.974 -9.133 -1.525 1.00 0.00 C ATOM 1139 OG SER A 78 -2.945 -8.425 -0.854 1.00 0.00 O ATOM 0 H SER A 78 -6.357 -9.915 -2.080 1.00 0.00 H new ATOM 0 HA SER A 78 -4.451 -10.494 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.537 -9.921 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.502 -8.460 -2.200 1.00 0.00 H new ATOM 0 HG SER A 78 -3.216 -7.491 -0.733 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.758 -9.018 1.645 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.209 -8.025 2.613 1.00 0.00 C ATOM 1147 C ASN A 79 -5.020 -7.219 3.065 1.00 0.00 C ATOM 1148 O ASN A 79 -3.956 -7.764 3.360 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.899 -8.644 3.826 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.903 -7.692 4.472 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -9.035 -8.081 4.755 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.503 -6.431 4.712 1.00 0.00 N ATOM 0 H ASN A 79 -5.666 -9.966 2.009 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.949 -7.394 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.411 -9.557 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.147 -8.930 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.146 -5.765 5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.557 -6.140 4.465 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.199 -5.921 3.099 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.117 -5.032 3.422 1.00 0.00 C ATOM 1161 C ILE A 80 -4.179 -4.535 4.854 1.00 0.00 C ATOM 1162 O ILE A 80 -5.255 -4.291 5.399 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.143 -3.821 2.489 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.378 -4.258 1.044 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.856 -3.038 2.620 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.712 -3.114 0.111 1.00 0.00 C ATOM 0 H ILE A 80 -6.087 -5.459 2.906 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.196 -5.601 3.298 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.970 -3.172 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.486 -4.766 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.191 -4.984 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.884 -2.177 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.742 -2.695 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.013 -3.676 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.866 -3.499 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.621 -2.619 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.890 -2.398 0.104 1.00 0.00 H new ATOM 1178 N GLU A 81 -3.003 -4.321 5.430 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.896 -3.713 6.738 1.00 0.00 C ATOM 1180 C GLU A 81 -2.911 -2.214 6.527 1.00 0.00 C ATOM 1181 O GLU A 81 -1.878 -1.544 6.579 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.613 -4.153 7.446 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.561 -3.758 8.912 1.00 0.00 C ATOM 1184 CD GLU A 81 -2.565 -4.519 9.755 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.638 -5.759 9.616 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -3.280 -3.876 10.552 1.00 0.00 O ATOM 0 H GLU A 81 -2.108 -4.563 5.004 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.724 -4.023 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.517 -5.236 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.756 -3.719 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.557 -3.938 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.751 -2.689 9.004 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.086 -1.727 6.157 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.275 -0.340 5.790 1.00 0.00 C ATOM 1195 C VAL A 82 -4.423 0.544 7.026 1.00 0.00 C ATOM 1196 O VAL A 82 -5.402 1.276 7.184 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.512 -0.208 4.875 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.730 1.238 4.456 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.357 -1.094 3.651 1.00 0.00 C ATOM 0 H VAL A 82 -4.936 -2.289 6.104 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.392 -0.002 5.248 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.387 -0.533 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.607 1.302 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.884 1.854 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.855 1.595 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.236 -0.992 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.469 -0.794 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.255 -2.133 3.964 1.00 0.00 H new ATOM 1209 N THR A 83 -3.457 0.425 7.927 1.00 0.00 N ATOM 1210 CA THR A 83 -3.449 1.217 9.147 1.00 0.00 C ATOM 1211 C THR A 83 -2.077 1.836 9.402 1.00 0.00 C ATOM 1212 O THR A 83 -1.841 2.403 10.470 1.00 0.00 O ATOM 1213 CB THR A 83 -3.853 0.347 10.339 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.839 -0.596 9.958 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.402 1.143 11.502 1.00 0.00 C ATOM 0 H THR A 83 -2.668 -0.214 7.834 1.00 0.00 H new ATOM 0 HA THR A 83 -4.169 2.026 9.024 1.00 0.00 H new ATOM 0 HB THR A 83 -2.937 -0.148 10.661 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.084 -1.144 10.732 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.669 0.465 12.313 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.646 1.846 11.851 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.288 1.692 11.182 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.144 1.652 8.469 1.00 0.00 N ATOM 1224 CA ASP A 84 0.201 2.171 8.645 1.00 0.00 C ATOM 1225 C ASP A 84 0.303 3.622 8.183 1.00 0.00 C ATOM 1226 O ASP A 84 -0.218 3.988 7.130 1.00 0.00 O ATOM 1227 CB ASP A 84 1.203 1.291 7.898 1.00 0.00 C ATOM 1228 CG ASP A 84 2.634 1.532 8.341 1.00 0.00 C ATOM 1229 OD1 ASP A 84 2.852 2.414 9.198 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.538 0.834 7.833 1.00 0.00 O ATOM 0 H ASP A 84 -1.297 1.152 7.593 1.00 0.00 H new ATOM 0 HA ASP A 84 0.438 2.150 9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.949 0.243 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.121 1.481 6.828 1.00 0.00 H new ATOM 1235 N VAL A 85 0.988 4.437 8.978 1.00 0.00 N ATOM 1236 CA VAL A 85 1.163 5.852 8.669 1.00 0.00 C ATOM 1237 C VAL A 85 2.502 6.365 9.196 1.00 0.00 C ATOM 1238 O VAL A 85 3.041 5.832 10.166 1.00 0.00 O ATOM 1239 CB VAL A 85 0.019 6.696 9.264 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.212 6.898 10.761 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.091 8.031 8.544 1.00 0.00 C ATOM 0 H VAL A 85 1.434 4.140 9.846 1.00 0.00 H new ATOM 0 HA VAL A 85 1.147 5.952 7.584 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.915 6.153 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.609 7.497 11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.227 5.929 11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.156 7.413 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.904 8.613 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.845 8.580 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.293 7.859 7.487 1.00 0.00 H new ATOM 1251 N ARG A 86 3.034 7.398 8.548 1.00 0.00 N ATOM 1252 CA ARG A 86 4.316 7.958 8.928 1.00 0.00 C ATOM 1253 C ARG A 86 4.362 9.460 8.615 1.00 0.00 C ATOM 1254 O ARG A 86 4.560 9.866 7.469 1.00 0.00 O ATOM 1255 CB ARG A 86 5.429 7.195 8.202 1.00 0.00 C ATOM 1256 CG ARG A 86 6.555 8.065 7.685 1.00 0.00 C ATOM 1257 CD ARG A 86 7.910 7.424 7.923 1.00 0.00 C ATOM 1258 NE ARG A 86 9.011 8.330 7.613 1.00 0.00 N ATOM 1259 CZ ARG A 86 10.074 7.979 6.897 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.177 6.746 6.419 1.00 0.00 N ATOM 1261 NH2 ARG A 86 11.035 8.861 6.656 1.00 0.00 N ATOM 0 H ARG A 86 2.591 7.862 7.755 1.00 0.00 H new ATOM 0 HA ARG A 86 4.462 7.850 10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.845 6.451 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.992 6.652 7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.418 8.243 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.520 9.037 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.983 7.109 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.998 6.526 7.311 1.00 0.00 H new ATOM 0 HE ARG A 86 8.962 9.286 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.439 6.065 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.994 6.479 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.959 9.811 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.850 8.590 6.106 1.00 0.00 H new ATOM 1275 N ARG A 87 4.108 10.278 9.631 1.00 0.00 N ATOM 1276 CA ARG A 87 4.109 11.727 9.468 1.00 0.00 C ATOM 1277 C ARG A 87 5.524 12.296 9.545 1.00 0.00 C ATOM 1278 O ARG A 87 6.127 12.325 10.618 1.00 0.00 O ATOM 1279 CB ARG A 87 3.235 12.374 10.541 1.00 0.00 C ATOM 1280 CG ARG A 87 1.759 12.060 10.380 1.00 0.00 C ATOM 1281 CD ARG A 87 1.390 10.756 11.064 1.00 0.00 C ATOM 1282 NE ARG A 87 0.195 10.892 11.892 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.210 11.345 13.142 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.356 11.705 13.709 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.920 11.440 13.829 1.00 0.00 N ATOM 0 H ARG A 87 3.898 9.961 10.578 1.00 0.00 H new ATOM 0 HA ARG A 87 3.705 11.953 8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.567 12.036 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.375 13.455 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.165 12.873 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.512 11.999 9.320 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.223 9.986 10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.223 10.422 11.682 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.703 10.624 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.228 11.634 13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.364 12.052 14.668 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.803 11.165 13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.906 11.788 14.788 1.00 0.00 H new ATOM 1299 N LEU A 88 6.048 12.766 8.413 1.00 0.00 N ATOM 1300 CA LEU A 88 7.381 13.367 8.394 1.00 0.00 C ATOM 1301 C LEU A 88 7.318 14.821 8.840 1.00 0.00 C ATOM 1302 O LEU A 88 7.145 15.718 8.014 1.00 0.00 O ATOM 1303 CB LEU A 88 8.016 13.309 7.004 1.00 0.00 C ATOM 1304 CG LEU A 88 7.374 12.354 6.007 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.849 12.688 4.601 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.698 10.915 6.365 1.00 0.00 C ATOM 0 H LEU A 88 5.577 12.743 7.508 1.00 0.00 H new ATOM 0 HA LEU A 88 7.996 12.788 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.997 14.312 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.064 13.031 7.118 1.00 0.00 H new ATOM 0 HG LEU A 88 6.291 12.470 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.388 12.003 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.566 13.712 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.933 12.589 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.231 10.246 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.778 10.770 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.318 10.694 7.362 1.00 0.00 H new ATOM 1318 N MET A 89 7.468 15.046 10.142 1.00 0.00 N ATOM 1319 CA MET A 89 7.434 16.395 10.693 1.00 0.00 C ATOM 1320 C MET A 89 8.838 16.984 10.779 1.00 0.00 C ATOM 1321 O MET A 89 9.811 16.205 10.692 1.00 0.00 O ATOM 1322 CB MET A 89 6.786 16.384 12.079 1.00 0.00 C ATOM 1323 CG MET A 89 5.279 16.191 12.044 1.00 0.00 C ATOM 1324 SD MET A 89 4.396 17.682 11.544 1.00 0.00 S ATOM 1325 CE MET A 89 4.138 17.359 9.801 1.00 0.00 C ATOM 1326 OXT MET A 89 8.953 18.218 10.933 1.00 0.00 O ATOM 0 H MET A 89 7.614 14.311 10.834 1.00 0.00 H new ATOM 0 HA MET A 89 6.840 17.019 10.026 1.00 0.00 H new ATOM 0 HB2 MET A 89 7.232 15.587 12.673 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.012 17.323 12.584 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.037 15.382 11.355 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.934 15.883 13.031 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.509 18.201 9.216 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.675 16.454 9.515 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.073 17.225 9.609 1.00 0.00 H new TER 1336 MET A 89