USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 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= -0.488 USER MOD Set 1.2: A 54 MET CE :methyl -142:sc= 0 (180deg=-2.26!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 139:sc= -0.168 (180deg=0) USER MOD Set 2.2: A 52 ASN : amide:sc= -6.69! C(o=-6.9!,f=-8.8!) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0206) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 172:sc= -1.28 (180deg=-1.54) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= -0.203 (180deg=-2.34!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 34 THR OG1 : rot -157:sc= -1.18! USER MOD Single : A 37 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-7.2!) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0.192 (180deg=0.0568) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.944 F(o=-3!,f=-0.94) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -149:sc= -0.506 (180deg=-2.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.765 18.348 5.558 1.00 0.00 N ATOM 2 CA MET A 1 10.707 17.470 6.120 1.00 0.00 C ATOM 3 C MET A 1 9.464 18.269 6.496 1.00 0.00 C ATOM 4 O MET A 1 9.558 19.325 7.121 1.00 0.00 O ATOM 5 CB MET A 1 11.268 16.761 7.355 1.00 0.00 C ATOM 6 CG MET A 1 11.233 15.244 7.254 1.00 0.00 C ATOM 7 SD MET A 1 12.869 14.500 7.390 1.00 0.00 S ATOM 8 CE MET A 1 13.265 14.864 9.099 1.00 0.00 C ATOM 0 H1 MET A 1 12.597 17.775 5.312 1.00 0.00 H new ATOM 0 H2 MET A 1 11.406 18.821 4.704 1.00 0.00 H new ATOM 0 H3 MET A 1 12.033 19.063 6.264 1.00 0.00 H new ATOM 0 HA MET A 1 10.412 16.741 5.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.298 17.083 7.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.700 17.072 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.591 14.846 8.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.786 14.958 6.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.173 14.333 9.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.420 15.937 9.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.443 14.544 9.739 1.00 0.00 H new ATOM 20 N GLY A 2 8.299 17.758 6.105 1.00 0.00 N ATOM 21 CA GLY A 2 7.050 18.436 6.406 1.00 0.00 C ATOM 22 C GLY A 2 5.861 17.771 5.741 1.00 0.00 C ATOM 23 O GLY A 2 4.721 18.203 5.915 1.00 0.00 O ATOM 0 H GLY A 2 8.198 16.886 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.898 18.452 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.114 19.474 6.078 1.00 0.00 H new ATOM 27 N ASP A 3 6.137 16.756 4.928 1.00 0.00 N ATOM 28 CA ASP A 3 5.087 16.028 4.221 1.00 0.00 C ATOM 29 C ASP A 3 4.586 14.843 5.038 1.00 0.00 C ATOM 30 O ASP A 3 5.246 14.396 5.975 1.00 0.00 O ATOM 31 CB ASP A 3 5.589 15.550 2.859 1.00 0.00 C ATOM 32 CG ASP A 3 6.775 14.614 2.966 1.00 0.00 C ATOM 33 OD1 ASP A 3 7.797 15.016 3.561 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.687 13.483 2.444 1.00 0.00 O ATOM 0 H ASP A 3 7.081 16.418 4.742 1.00 0.00 H new ATOM 0 HA ASP A 3 4.253 16.714 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.778 15.043 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.867 16.414 2.256 1.00 0.00 H new ATOM 39 N VAL A 4 3.409 14.342 4.677 1.00 0.00 N ATOM 40 CA VAL A 4 2.814 13.204 5.365 1.00 0.00 C ATOM 41 C VAL A 4 2.949 11.926 4.529 1.00 0.00 C ATOM 42 O VAL A 4 2.678 11.932 3.329 1.00 0.00 O ATOM 43 CB VAL A 4 1.326 13.484 5.683 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.439 12.319 5.283 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.149 13.813 7.157 1.00 0.00 C ATOM 0 H VAL A 4 2.847 14.709 3.909 1.00 0.00 H new ATOM 0 HA VAL A 4 3.351 13.056 6.302 1.00 0.00 H new ATOM 0 HB VAL A 4 1.018 14.347 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.598 12.553 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.533 12.141 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.744 11.426 5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.096 14.007 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.487 12.971 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.736 14.697 7.406 1.00 0.00 H new ATOM 55 N VAL A 5 3.347 10.828 5.168 1.00 0.00 N ATOM 56 CA VAL A 5 3.492 9.552 4.467 1.00 0.00 C ATOM 57 C VAL A 5 2.659 8.454 5.121 1.00 0.00 C ATOM 58 O VAL A 5 2.868 8.115 6.284 1.00 0.00 O ATOM 59 CB VAL A 5 4.960 9.085 4.419 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.077 7.763 3.674 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.830 10.144 3.770 1.00 0.00 C ATOM 0 H VAL A 5 3.574 10.794 6.162 1.00 0.00 H new ATOM 0 HA VAL A 5 3.136 9.726 3.452 1.00 0.00 H new ATOM 0 HB VAL A 5 5.308 8.932 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.121 7.450 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.482 7.005 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.712 7.887 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.864 9.799 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.482 10.327 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.770 11.067 4.346 1.00 0.00 H new ATOM 71 N ALA A 6 1.734 7.882 4.355 1.00 0.00 N ATOM 72 CA ALA A 6 0.918 6.777 4.842 1.00 0.00 C ATOM 73 C ALA A 6 1.505 5.458 4.358 1.00 0.00 C ATOM 74 O ALA A 6 2.366 5.450 3.480 1.00 0.00 O ATOM 75 CB ALA A 6 -0.522 6.928 4.374 1.00 0.00 C ATOM 0 H ALA A 6 1.532 8.166 3.396 1.00 0.00 H new ATOM 0 HA ALA A 6 0.919 6.787 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.115 6.094 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.932 7.864 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.552 6.935 3.284 1.00 0.00 H new ATOM 81 N THR A 7 1.057 4.344 4.929 1.00 0.00 N ATOM 82 CA THR A 7 1.576 3.044 4.521 1.00 0.00 C ATOM 83 C THR A 7 0.485 1.980 4.458 1.00 0.00 C ATOM 84 O THR A 7 -0.351 1.852 5.365 1.00 0.00 O ATOM 85 CB THR A 7 2.698 2.592 5.448 1.00 0.00 C ATOM 86 OG1 THR A 7 3.638 3.633 5.646 1.00 0.00 O ATOM 87 CG2 THR A 7 3.442 1.384 4.925 1.00 0.00 C ATOM 0 H THR A 7 0.349 4.314 5.662 1.00 0.00 H new ATOM 0 HA THR A 7 1.974 3.166 3.514 1.00 0.00 H new ATOM 0 HB THR A 7 2.214 2.324 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.349 3.322 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.229 1.109 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.749 0.550 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.886 1.621 3.958 1.00 0.00 H new ATOM 95 N ILE A 8 0.548 1.197 3.384 1.00 0.00 N ATOM 96 CA ILE A 8 -0.418 0.145 3.105 1.00 0.00 C ATOM 97 C ILE A 8 0.295 -1.200 2.890 1.00 0.00 C ATOM 98 O ILE A 8 0.974 -1.388 1.884 1.00 0.00 O ATOM 99 CB ILE A 8 -1.221 0.504 1.837 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.504 2.013 1.781 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.507 -0.288 1.770 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.668 2.461 2.646 1.00 0.00 C ATOM 0 H ILE A 8 1.279 1.278 2.678 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.091 0.056 3.958 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.618 0.239 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.608 2.551 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.704 2.295 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.055 -0.017 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.278 -1.353 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.117 -0.066 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.800 3.539 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.577 1.954 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.464 2.213 3.688 1.00 0.00 H new ATOM 114 N LYS A 9 0.189 -2.104 3.865 1.00 0.00 N ATOM 115 CA LYS A 9 0.864 -3.410 3.787 1.00 0.00 C ATOM 116 C LYS A 9 -0.064 -4.500 3.252 1.00 0.00 C ATOM 117 O LYS A 9 -0.796 -5.131 4.010 1.00 0.00 O ATOM 118 CB LYS A 9 1.399 -3.823 5.154 1.00 0.00 C ATOM 119 CG LYS A 9 1.552 -2.667 6.135 1.00 0.00 C ATOM 120 CD LYS A 9 2.988 -2.188 6.227 1.00 0.00 C ATOM 121 CE LYS A 9 3.827 -3.099 7.107 1.00 0.00 C ATOM 122 NZ LYS A 9 5.268 -2.725 7.081 1.00 0.00 N ATOM 0 H LYS A 9 -0.354 -1.961 4.716 1.00 0.00 H new ATOM 0 HA LYS A 9 1.695 -3.297 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.729 -4.566 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.368 -4.305 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.913 -1.840 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.210 -2.981 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.422 -2.145 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.009 -1.174 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.459 -3.053 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.714 -4.131 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.662 -2.796 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.782 -3.369 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.367 -1.749 6.737 1.00 0.00 H new ATOM 136 N VAL A 10 -0.014 -4.726 1.948 1.00 0.00 N ATOM 137 CA VAL A 10 -0.907 -5.692 1.301 1.00 0.00 C ATOM 138 C VAL A 10 -0.272 -7.078 1.177 1.00 0.00 C ATOM 139 O VAL A 10 0.883 -7.210 0.780 1.00 0.00 O ATOM 140 CB VAL A 10 -1.363 -5.188 -0.098 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.906 -3.753 -0.322 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.876 -6.093 -1.223 1.00 0.00 C ATOM 0 H VAL A 10 0.632 -4.258 1.313 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.781 -5.784 1.946 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.452 -5.217 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.233 -3.416 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.338 -3.110 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.181 -3.704 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.219 -5.700 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.213 -6.129 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.273 -7.098 -1.080 1.00 0.00 H new ATOM 152 N MET A 11 -1.052 -8.111 1.502 1.00 0.00 N ATOM 153 CA MET A 11 -0.582 -9.490 1.395 1.00 0.00 C ATOM 154 C MET A 11 -1.722 -10.430 0.979 1.00 0.00 C ATOM 155 O MET A 11 -2.774 -10.481 1.627 1.00 0.00 O ATOM 156 CB MET A 11 0.054 -9.953 2.720 1.00 0.00 C ATOM 157 CG MET A 11 -0.852 -10.802 3.604 1.00 0.00 C ATOM 158 SD MET A 11 0.067 -11.972 4.623 1.00 0.00 S ATOM 159 CE MET A 11 -0.417 -13.529 3.878 1.00 0.00 C ATOM 0 H MET A 11 -2.010 -8.017 1.841 1.00 0.00 H new ATOM 0 HA MET A 11 0.182 -9.527 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.955 -10.523 2.494 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.366 -9.074 3.283 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.440 -10.148 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.557 -11.348 2.977 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.177 -14.337 4.305 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.473 -13.713 4.074 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.250 -13.485 2.802 1.00 0.00 H new ATOM 169 N PRO A 12 -1.524 -11.188 -0.115 1.00 0.00 N ATOM 170 CA PRO A 12 -2.518 -12.142 -0.621 1.00 0.00 C ATOM 171 C PRO A 12 -2.637 -13.364 0.280 1.00 0.00 C ATOM 172 O PRO A 12 -1.671 -14.105 0.467 1.00 0.00 O ATOM 173 CB PRO A 12 -1.972 -12.545 -2.004 1.00 0.00 C ATOM 174 CG PRO A 12 -0.871 -11.578 -2.290 1.00 0.00 C ATOM 175 CD PRO A 12 -0.324 -11.179 -0.953 1.00 0.00 C ATOM 0 HA PRO A 12 -3.517 -11.708 -0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.603 -13.571 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.750 -12.491 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.099 -12.036 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.243 -10.711 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.429 -11.881 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.146 -10.196 -0.982 1.00 0.00 H new ATOM 183 N GLU A 13 -3.819 -13.556 0.858 1.00 0.00 N ATOM 184 CA GLU A 13 -4.063 -14.685 1.750 1.00 0.00 C ATOM 185 C GLU A 13 -3.726 -16.003 1.065 1.00 0.00 C ATOM 186 O GLU A 13 -3.334 -16.971 1.718 1.00 0.00 O ATOM 187 CB GLU A 13 -5.523 -14.694 2.210 1.00 0.00 C ATOM 188 CG GLU A 13 -5.702 -14.344 3.678 1.00 0.00 C ATOM 189 CD GLU A 13 -5.720 -15.567 4.573 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.799 -16.177 4.722 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.654 -15.914 5.125 1.00 0.00 O ATOM 0 H GLU A 13 -4.624 -12.944 0.724 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.416 -14.573 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.090 -13.986 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.947 -15.681 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.894 -13.682 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.633 -13.792 3.805 1.00 0.00 H new ATOM 198 N SER A 14 -3.889 -16.035 -0.252 1.00 0.00 N ATOM 199 CA SER A 14 -3.591 -17.231 -1.028 1.00 0.00 C ATOM 200 C SER A 14 -2.091 -17.376 -1.239 1.00 0.00 C ATOM 201 O SER A 14 -1.352 -16.393 -1.195 1.00 0.00 O ATOM 202 CB SER A 14 -4.310 -17.181 -2.378 1.00 0.00 C ATOM 203 OG SER A 14 -5.060 -18.361 -2.603 1.00 0.00 O ATOM 0 H SER A 14 -4.226 -15.246 -0.804 1.00 0.00 H new ATOM 0 HA SER A 14 -3.947 -18.098 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.971 -16.315 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.580 -17.053 -3.177 1.00 0.00 H new ATOM 0 HG SER A 14 -5.510 -18.302 -3.471 1.00 0.00 H new ATOM 209 N PRO A 15 -1.616 -18.613 -1.460 1.00 0.00 N ATOM 210 CA PRO A 15 -0.199 -18.883 -1.674 1.00 0.00 C ATOM 211 C PRO A 15 0.267 -18.395 -3.040 1.00 0.00 C ATOM 212 O PRO A 15 1.438 -18.529 -3.397 1.00 0.00 O ATOM 213 CB PRO A 15 -0.088 -20.411 -1.573 1.00 0.00 C ATOM 214 CG PRO A 15 -1.433 -20.900 -1.140 1.00 0.00 C ATOM 215 CD PRO A 15 -2.418 -19.841 -1.532 1.00 0.00 C ATOM 0 HA PRO A 15 0.429 -18.365 -0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.193 -20.845 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.680 -20.699 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.673 -21.849 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.455 -21.071 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.815 -20.008 -2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.270 -19.809 -0.853 1.00 0.00 H new ATOM 223 N ASP A 16 -0.667 -17.837 -3.803 1.00 0.00 N ATOM 224 CA ASP A 16 -0.364 -17.291 -5.117 1.00 0.00 C ATOM 225 C ASP A 16 -0.034 -15.809 -5.003 1.00 0.00 C ATOM 226 O ASP A 16 -0.487 -14.996 -5.808 1.00 0.00 O ATOM 227 CB ASP A 16 -1.548 -17.496 -6.066 1.00 0.00 C ATOM 228 CG ASP A 16 -1.110 -17.938 -7.448 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.095 -17.409 -7.947 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.782 -18.814 -8.031 1.00 0.00 O ATOM 0 H ASP A 16 -1.646 -17.752 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 16 0.501 -17.816 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.222 -18.242 -5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.111 -16.566 -6.146 1.00 0.00 H new ATOM 235 N VAL A 17 0.754 -15.472 -3.988 1.00 0.00 N ATOM 236 CA VAL A 17 1.139 -14.086 -3.736 1.00 0.00 C ATOM 237 C VAL A 17 1.997 -13.537 -4.877 1.00 0.00 C ATOM 238 O VAL A 17 3.224 -13.478 -4.775 1.00 0.00 O ATOM 239 CB VAL A 17 1.915 -13.957 -2.404 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.380 -12.524 -2.167 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.058 -14.437 -1.244 1.00 0.00 C ATOM 0 H VAL A 17 1.141 -16.142 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 17 0.220 -13.503 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 17 2.802 -14.587 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.922 -12.469 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.036 -12.215 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.515 -11.862 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.618 -14.340 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.152 -13.834 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.789 -15.482 -1.398 1.00 0.00 H new ATOM 251 N ASP A 18 1.347 -13.164 -5.977 1.00 0.00 N ATOM 252 CA ASP A 18 2.049 -12.602 -7.126 1.00 0.00 C ATOM 253 C ASP A 18 2.603 -11.230 -6.786 1.00 0.00 C ATOM 254 O ASP A 18 1.869 -10.245 -6.743 1.00 0.00 O ATOM 255 CB ASP A 18 1.118 -12.501 -8.333 1.00 0.00 C ATOM 256 CG ASP A 18 0.907 -13.839 -9.015 1.00 0.00 C ATOM 257 OD1 ASP A 18 0.070 -14.629 -8.528 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.577 -14.097 -10.038 1.00 0.00 O ATOM 0 H ASP A 18 0.337 -13.241 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 18 2.875 -13.267 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.155 -12.104 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.533 -11.792 -9.050 1.00 0.00 H new ATOM 263 N LEU A 19 3.897 -11.183 -6.517 1.00 0.00 N ATOM 264 CA LEU A 19 4.563 -9.942 -6.154 1.00 0.00 C ATOM 265 C LEU A 19 4.478 -8.912 -7.269 1.00 0.00 C ATOM 266 O LEU A 19 4.034 -7.786 -7.052 1.00 0.00 O ATOM 267 CB LEU A 19 6.036 -10.223 -5.835 1.00 0.00 C ATOM 268 CG LEU A 19 6.579 -9.552 -4.572 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.388 -8.043 -4.642 1.00 0.00 C ATOM 270 CD2 LEU A 19 5.909 -10.127 -3.335 1.00 0.00 C ATOM 0 H LEU A 19 4.512 -11.996 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 19 4.058 -9.536 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.169 -11.301 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.640 -9.902 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 19 7.648 -9.754 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.781 -7.584 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.920 -7.649 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.326 -7.815 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.307 -9.639 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.834 -9.958 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.105 -11.198 -3.279 1.00 0.00 H new ATOM 282 N GLU A 20 4.898 -9.306 -8.466 1.00 0.00 N ATOM 283 CA GLU A 20 4.926 -8.388 -9.598 1.00 0.00 C ATOM 284 C GLU A 20 3.522 -8.043 -10.053 1.00 0.00 C ATOM 285 O GLU A 20 3.253 -6.913 -10.461 1.00 0.00 O ATOM 286 CB GLU A 20 5.724 -8.994 -10.751 1.00 0.00 C ATOM 287 CG GLU A 20 5.569 -8.249 -12.068 1.00 0.00 C ATOM 288 CD GLU A 20 6.224 -8.974 -13.227 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.458 -8.853 -13.382 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.503 -9.662 -13.981 1.00 0.00 O ATOM 0 H GLU A 20 5.222 -10.250 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 20 5.414 -7.467 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.779 -9.014 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.412 -10.029 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.509 -8.113 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.005 -7.255 -11.973 1.00 0.00 H new ATOM 297 N ALA A 21 2.621 -9.008 -9.969 1.00 0.00 N ATOM 298 CA ALA A 21 1.236 -8.758 -10.332 1.00 0.00 C ATOM 299 C ALA A 21 0.603 -7.818 -9.320 1.00 0.00 C ATOM 300 O ALA A 21 -0.186 -6.941 -9.673 1.00 0.00 O ATOM 301 CB ALA A 21 0.454 -10.058 -10.434 1.00 0.00 C ATOM 0 H ALA A 21 2.819 -9.959 -9.657 1.00 0.00 H new ATOM 0 HA ALA A 21 1.211 -8.286 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.579 -9.841 -10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.904 -10.695 -11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.475 -10.572 -9.473 1.00 0.00 H new ATOM 307 N LEU A 22 0.987 -7.990 -8.062 1.00 0.00 N ATOM 308 CA LEU A 22 0.515 -7.125 -6.992 1.00 0.00 C ATOM 309 C LEU A 22 1.024 -5.713 -7.221 1.00 0.00 C ATOM 310 O LEU A 22 0.341 -4.733 -6.930 1.00 0.00 O ATOM 311 CB LEU A 22 0.997 -7.647 -5.628 1.00 0.00 C ATOM 312 CG LEU A 22 0.073 -7.371 -4.426 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.308 -6.896 -4.868 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.055 -8.613 -3.558 1.00 0.00 C ATOM 0 H LEU A 22 1.627 -8.724 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.575 -7.120 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.144 -8.724 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.972 -7.207 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 22 0.529 -6.571 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.928 -6.713 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.209 -5.974 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.775 -7.661 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.711 -8.401 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.475 -9.428 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.929 -8.902 -3.189 1.00 0.00 H new ATOM 326 N LYS A 23 2.226 -5.631 -7.777 1.00 0.00 N ATOM 327 CA LYS A 23 2.858 -4.358 -8.087 1.00 0.00 C ATOM 328 C LYS A 23 1.976 -3.535 -9.013 1.00 0.00 C ATOM 329 O LYS A 23 1.756 -2.346 -8.785 1.00 0.00 O ATOM 330 CB LYS A 23 4.215 -4.609 -8.752 1.00 0.00 C ATOM 331 CG LYS A 23 5.410 -4.327 -7.855 1.00 0.00 C ATOM 332 CD LYS A 23 5.995 -5.601 -7.277 1.00 0.00 C ATOM 333 CE LYS A 23 7.368 -5.355 -6.678 1.00 0.00 C ATOM 334 NZ LYS A 23 7.298 -5.074 -5.218 1.00 0.00 N ATOM 0 H LYS A 23 2.789 -6.445 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 23 3.002 -3.802 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.259 -5.647 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.290 -3.988 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.176 -3.802 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.107 -3.666 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.327 -5.996 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.067 -6.358 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.000 -6.227 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.840 -4.514 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.692 -4.131 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.307 -5.105 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.847 -5.790 -4.700 1.00 0.00 H new ATOM 348 N LYS A 24 1.478 -4.179 -10.062 1.00 0.00 N ATOM 349 CA LYS A 24 0.615 -3.509 -11.022 1.00 0.00 C ATOM 350 C LYS A 24 -0.698 -3.099 -10.369 1.00 0.00 C ATOM 351 O LYS A 24 -1.207 -2.005 -10.615 1.00 0.00 O ATOM 352 CB LYS A 24 0.337 -4.422 -12.219 1.00 0.00 C ATOM 353 CG LYS A 24 1.537 -5.249 -12.652 1.00 0.00 C ATOM 354 CD LYS A 24 1.357 -5.799 -14.057 1.00 0.00 C ATOM 355 CE LYS A 24 1.577 -7.302 -14.101 1.00 0.00 C ATOM 356 NZ LYS A 24 1.454 -7.843 -15.483 1.00 0.00 N ATOM 0 H LYS A 24 1.657 -5.162 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 24 1.128 -2.613 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.484 -5.094 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.005 -3.813 -13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.437 -4.635 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.683 -6.073 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.353 -5.567 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.057 -5.308 -14.733 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.566 -7.535 -13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.851 -7.794 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.611 -8.871 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.502 -7.643 -15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.163 -7.393 -16.096 1.00 0.00 H new ATOM 370 N GLU A 25 -1.252 -3.988 -9.549 1.00 0.00 N ATOM 371 CA GLU A 25 -2.509 -3.705 -8.867 1.00 0.00 C ATOM 372 C GLU A 25 -2.332 -2.565 -7.877 1.00 0.00 C ATOM 373 O GLU A 25 -3.256 -1.794 -7.621 1.00 0.00 O ATOM 374 CB GLU A 25 -3.015 -4.957 -8.145 1.00 0.00 C ATOM 375 CG GLU A 25 -3.196 -6.157 -9.062 1.00 0.00 C ATOM 376 CD GLU A 25 -3.937 -7.297 -8.390 1.00 0.00 C ATOM 377 OE1 GLU A 25 -3.277 -8.132 -7.737 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.178 -7.354 -8.519 1.00 0.00 O ATOM 0 H GLU A 25 -0.853 -4.904 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.247 -3.407 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.313 -5.218 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.967 -4.730 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.742 -5.849 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.218 -6.508 -9.392 1.00 0.00 H new ATOM 385 N ILE A 26 -1.132 -2.476 -7.322 1.00 0.00 N ATOM 386 CA ILE A 26 -0.804 -1.441 -6.354 1.00 0.00 C ATOM 387 C ILE A 26 -0.939 -0.054 -6.969 1.00 0.00 C ATOM 388 O ILE A 26 -1.474 0.860 -6.345 1.00 0.00 O ATOM 389 CB ILE A 26 0.626 -1.630 -5.801 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.612 -2.635 -4.647 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.213 -0.304 -5.339 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.932 -3.343 -4.451 1.00 0.00 C ATOM 0 H ILE A 26 -0.364 -3.114 -7.528 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.512 -1.530 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 26 1.255 -2.016 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.347 -2.116 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.166 -3.376 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.220 -0.466 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.253 0.389 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.587 0.116 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.851 -4.040 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.189 -3.890 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.710 -2.610 -4.236 1.00 0.00 H new ATOM 404 N GLN A 27 -0.425 0.108 -8.180 1.00 0.00 N ATOM 405 CA GLN A 27 -0.495 1.392 -8.863 1.00 0.00 C ATOM 406 C GLN A 27 -1.944 1.804 -9.092 1.00 0.00 C ATOM 407 O GLN A 27 -2.291 2.981 -8.992 1.00 0.00 O ATOM 408 CB GLN A 27 0.246 1.323 -10.200 1.00 0.00 C ATOM 409 CG GLN A 27 1.694 0.881 -10.071 1.00 0.00 C ATOM 410 CD GLN A 27 2.668 1.902 -10.628 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.501 2.392 -11.744 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.694 2.227 -9.849 1.00 0.00 N ATOM 0 H GLN A 27 0.043 -0.629 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.018 2.140 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.278 0.633 -10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.215 2.304 -10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.923 0.702 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.829 -0.066 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.793 1.796 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.382 2.908 -10.170 1.00 0.00 H new ATOM 421 N GLU A 28 -2.784 0.825 -9.419 1.00 0.00 N ATOM 422 CA GLU A 28 -4.195 1.084 -9.694 1.00 0.00 C ATOM 423 C GLU A 28 -4.984 1.324 -8.412 1.00 0.00 C ATOM 424 O GLU A 28 -6.068 1.906 -8.442 1.00 0.00 O ATOM 425 CB GLU A 28 -4.805 -0.090 -10.459 1.00 0.00 C ATOM 426 CG GLU A 28 -3.898 -0.648 -11.543 1.00 0.00 C ATOM 427 CD GLU A 28 -3.663 0.338 -12.671 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.522 0.424 -13.573 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.619 1.024 -12.651 1.00 0.00 O ATOM 0 H GLU A 28 -2.512 -0.155 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.251 1.988 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.047 -0.886 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.743 0.231 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.940 -0.926 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.339 -1.559 -11.948 1.00 0.00 H new ATOM 436 N ARG A 29 -4.456 0.841 -7.296 1.00 0.00 N ATOM 437 CA ARG A 29 -5.135 0.966 -6.014 1.00 0.00 C ATOM 438 C ARG A 29 -4.736 2.249 -5.288 1.00 0.00 C ATOM 439 O ARG A 29 -5.368 2.632 -4.303 1.00 0.00 O ATOM 440 CB ARG A 29 -4.828 -0.249 -5.144 1.00 0.00 C ATOM 441 CG ARG A 29 -3.454 -0.209 -4.507 1.00 0.00 C ATOM 442 CD ARG A 29 -3.267 -1.354 -3.529 1.00 0.00 C ATOM 443 NE ARG A 29 -2.112 -1.146 -2.663 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.990 -0.120 -1.827 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.957 0.785 -1.726 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.901 -0.001 -1.085 1.00 0.00 N ATOM 0 H ARG A 29 -3.558 0.358 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.207 1.015 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.581 -0.323 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.911 -1.150 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.690 -0.261 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.318 0.740 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.164 -1.460 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.144 -2.286 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.354 -1.827 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.801 0.695 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.856 1.570 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.158 -0.696 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.805 0.786 -0.443 1.00 0.00 H new ATOM 460 N ILE A 30 -3.671 2.893 -5.756 1.00 0.00 N ATOM 461 CA ILE A 30 -3.193 4.124 -5.131 1.00 0.00 C ATOM 462 C ILE A 30 -4.270 5.211 -5.156 1.00 0.00 C ATOM 463 O ILE A 30 -4.950 5.391 -6.166 1.00 0.00 O ATOM 464 CB ILE A 30 -1.923 4.658 -5.827 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.767 3.668 -5.653 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.545 6.035 -5.287 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.262 3.556 -4.230 1.00 0.00 C ATOM 0 H ILE A 30 -3.125 2.586 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.953 3.877 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.131 4.763 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.091 2.684 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.058 3.971 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.647 6.390 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.363 6.733 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.355 5.966 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.556 2.836 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.095 4.529 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.072 3.222 -3.582 1.00 0.00 H new ATOM 479 N PRO A 31 -4.423 5.970 -4.051 1.00 0.00 N ATOM 480 CA PRO A 31 -5.409 7.049 -3.962 1.00 0.00 C ATOM 481 C PRO A 31 -5.311 8.025 -5.126 1.00 0.00 C ATOM 482 O PRO A 31 -4.251 8.588 -5.399 1.00 0.00 O ATOM 483 CB PRO A 31 -5.069 7.760 -2.647 1.00 0.00 C ATOM 484 CG PRO A 31 -3.747 7.222 -2.230 1.00 0.00 C ATOM 485 CD PRO A 31 -3.663 5.839 -2.802 1.00 0.00 C ATOM 0 HA PRO A 31 -6.426 6.659 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.026 8.840 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.828 7.566 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.936 7.848 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.660 7.201 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.632 5.536 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.101 5.096 -2.136 1.00 0.00 H new ATOM 493 N GLU A 32 -6.426 8.192 -5.821 1.00 0.00 N ATOM 494 CA GLU A 32 -6.506 9.092 -6.969 1.00 0.00 C ATOM 495 C GLU A 32 -6.236 10.548 -6.584 1.00 0.00 C ATOM 496 O GLU A 32 -6.325 11.441 -7.425 1.00 0.00 O ATOM 497 CB GLU A 32 -7.882 8.980 -7.629 1.00 0.00 C ATOM 498 CG GLU A 32 -7.821 8.876 -9.145 1.00 0.00 C ATOM 499 CD GLU A 32 -9.155 8.503 -9.760 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.605 7.356 -9.552 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.751 9.357 -10.450 1.00 0.00 O ATOM 0 H GLU A 32 -7.300 7.711 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.731 8.788 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.396 8.104 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.479 9.850 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.489 9.829 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.076 8.131 -9.424 1.00 0.00 H new ATOM 508 N GLY A 33 -5.915 10.787 -5.315 1.00 0.00 N ATOM 509 CA GLY A 33 -5.672 12.144 -4.858 1.00 0.00 C ATOM 510 C GLY A 33 -4.257 12.619 -5.135 1.00 0.00 C ATOM 511 O GLY A 33 -4.053 13.566 -5.893 1.00 0.00 O ATOM 0 H GLY A 33 -5.819 10.068 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.377 12.817 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.865 12.201 -3.787 1.00 0.00 H new ATOM 515 N THR A 34 -3.282 11.974 -4.502 1.00 0.00 N ATOM 516 CA THR A 34 -1.881 12.348 -4.671 1.00 0.00 C ATOM 517 C THR A 34 -1.106 11.248 -5.401 1.00 0.00 C ATOM 518 O THR A 34 -1.550 10.759 -6.440 1.00 0.00 O ATOM 519 CB THR A 34 -1.251 12.644 -3.307 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.234 13.099 -2.394 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.157 13.690 -3.360 1.00 0.00 C ATOM 0 H THR A 34 -3.436 11.190 -3.868 1.00 0.00 H new ATOM 0 HA THR A 34 -1.833 13.249 -5.282 1.00 0.00 H new ATOM 0 HB THR A 34 -0.810 11.701 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.804 13.616 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.243 13.849 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.641 13.349 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.567 14.626 -3.739 1.00 0.00 H new ATOM 529 N GLU A 35 0.051 10.865 -4.862 1.00 0.00 N ATOM 530 CA GLU A 35 0.872 9.830 -5.478 1.00 0.00 C ATOM 531 C GLU A 35 1.459 8.900 -4.425 1.00 0.00 C ATOM 532 O GLU A 35 1.441 9.203 -3.232 1.00 0.00 O ATOM 533 CB GLU A 35 2.001 10.464 -6.295 1.00 0.00 C ATOM 534 CG GLU A 35 1.575 10.909 -7.685 1.00 0.00 C ATOM 535 CD GLU A 35 2.581 10.526 -8.753 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.731 11.010 -8.688 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.220 9.740 -9.655 1.00 0.00 O ATOM 0 H GLU A 35 0.438 11.256 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 35 0.234 9.245 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.392 11.324 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.817 9.748 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.609 10.465 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.439 11.990 -7.691 1.00 0.00 H new ATOM 544 N LEU A 36 1.990 7.771 -4.879 1.00 0.00 N ATOM 545 CA LEU A 36 2.586 6.789 -3.981 1.00 0.00 C ATOM 546 C LEU A 36 3.962 7.252 -3.499 1.00 0.00 C ATOM 547 O LEU A 36 4.357 8.394 -3.731 1.00 0.00 O ATOM 548 CB LEU A 36 2.679 5.420 -4.670 1.00 0.00 C ATOM 549 CG LEU A 36 3.811 5.250 -5.692 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.721 3.878 -6.346 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.768 6.344 -6.748 1.00 0.00 C ATOM 0 H LEU A 36 2.020 7.512 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 36 1.943 6.690 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.795 4.657 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.732 5.225 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 36 4.761 5.332 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.528 3.766 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.808 3.105 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.762 3.779 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.582 6.197 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.815 6.303 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.876 7.317 -6.269 1.00 0.00 H new ATOM 563 N HIS A 37 4.671 6.370 -2.799 1.00 0.00 N ATOM 564 CA HIS A 37 5.982 6.701 -2.248 1.00 0.00 C ATOM 565 C HIS A 37 7.015 5.640 -2.593 1.00 0.00 C ATOM 566 O HIS A 37 7.826 5.810 -3.503 1.00 0.00 O ATOM 567 CB HIS A 37 5.884 6.832 -0.728 1.00 0.00 C ATOM 568 CG HIS A 37 7.185 7.165 -0.061 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.700 8.438 -0.085 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.025 6.359 0.636 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.836 8.383 0.590 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.072 7.143 1.043 1.00 0.00 N ATOM 0 H HIS A 37 4.359 5.420 -2.600 1.00 0.00 H new ATOM 0 HA HIS A 37 6.300 7.646 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.155 7.605 -0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.505 5.897 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.894 5.305 0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.489 9.227 0.755 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.879 6.841 1.588 1.00 0.00 H new ATOM 580 N LYS A 38 6.970 4.544 -1.850 1.00 0.00 N ATOM 581 CA LYS A 38 7.911 3.451 -2.028 1.00 0.00 C ATOM 582 C LYS A 38 7.392 2.201 -1.324 1.00 0.00 C ATOM 583 O LYS A 38 6.962 2.259 -0.172 1.00 0.00 O ATOM 584 CB LYS A 38 9.288 3.864 -1.489 1.00 0.00 C ATOM 585 CG LYS A 38 9.968 2.819 -0.617 1.00 0.00 C ATOM 586 CD LYS A 38 10.639 1.746 -1.456 1.00 0.00 C ATOM 587 CE LYS A 38 11.710 1.010 -0.668 1.00 0.00 C ATOM 588 NZ LYS A 38 11.184 0.482 0.622 1.00 0.00 N ATOM 0 H LYS A 38 6.284 4.389 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 38 8.014 3.222 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.939 4.094 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.177 4.782 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.710 3.301 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.232 2.359 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.890 1.035 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.085 2.200 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.099 0.186 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.544 1.684 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.888 -0.153 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.993 1.273 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.303 -0.043 0.449 1.00 0.00 H new ATOM 602 N ILE A 39 7.397 1.081 -2.039 1.00 0.00 N ATOM 603 CA ILE A 39 6.862 -0.165 -1.507 1.00 0.00 C ATOM 604 C ILE A 39 7.932 -1.008 -0.820 1.00 0.00 C ATOM 605 O ILE A 39 9.127 -0.840 -1.063 1.00 0.00 O ATOM 606 CB ILE A 39 6.197 -0.996 -2.612 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.420 -0.072 -3.559 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.281 -2.039 -1.993 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.471 -0.799 -4.484 1.00 0.00 C ATOM 0 H ILE A 39 7.766 1.011 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 39 6.117 0.115 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 39 6.962 -1.514 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.854 0.647 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.130 0.498 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.812 -2.626 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.863 -2.698 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.510 -1.542 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.960 -0.077 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.032 -1.498 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.736 -1.347 -3.894 1.00 0.00 H new ATOM 621 N ASP A 40 7.485 -1.922 0.039 1.00 0.00 N ATOM 622 CA ASP A 40 8.386 -2.794 0.782 1.00 0.00 C ATOM 623 C ASP A 40 8.001 -4.259 0.613 1.00 0.00 C ATOM 624 O ASP A 40 6.936 -4.680 1.053 1.00 0.00 O ATOM 625 CB ASP A 40 8.348 -2.437 2.266 1.00 0.00 C ATOM 626 CG ASP A 40 9.730 -2.396 2.889 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.509 -1.482 2.548 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.031 -3.278 3.721 1.00 0.00 O ATOM 0 H ASP A 40 6.496 -2.077 0.237 1.00 0.00 H new ATOM 0 HA ASP A 40 9.392 -2.649 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.868 -1.466 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.735 -3.166 2.796 1.00 0.00 H new ATOM 633 N GLU A 41 8.894 -5.041 0.021 1.00 0.00 N ATOM 634 CA GLU A 41 8.645 -6.466 -0.172 1.00 0.00 C ATOM 635 C GLU A 41 8.967 -7.240 1.104 1.00 0.00 C ATOM 636 O GLU A 41 9.984 -7.929 1.188 1.00 0.00 O ATOM 637 CB GLU A 41 9.479 -6.999 -1.338 1.00 0.00 C ATOM 638 CG GLU A 41 10.875 -6.407 -1.397 1.00 0.00 C ATOM 639 CD GLU A 41 11.825 -7.230 -2.244 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.530 -7.432 -3.441 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.865 -7.673 -1.711 1.00 0.00 O ATOM 0 H GLU A 41 9.794 -4.716 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 41 7.589 -6.604 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.555 -8.083 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.961 -6.786 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.819 -5.396 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.274 -6.326 -0.386 1.00 0.00 H new ATOM 648 N GLU A 42 8.106 -7.089 2.108 1.00 0.00 N ATOM 649 CA GLU A 42 8.289 -7.760 3.391 1.00 0.00 C ATOM 650 C GLU A 42 7.466 -9.040 3.451 1.00 0.00 C ATOM 651 O GLU A 42 6.302 -9.047 3.070 1.00 0.00 O ATOM 652 CB GLU A 42 7.885 -6.832 4.536 1.00 0.00 C ATOM 653 CG GLU A 42 9.065 -6.328 5.346 1.00 0.00 C ATOM 654 CD GLU A 42 8.779 -6.293 6.835 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.370 -7.337 7.385 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.963 -5.222 7.450 1.00 0.00 O ATOM 0 H GLU A 42 7.271 -6.505 2.056 1.00 0.00 H new ATOM 0 HA GLU A 42 9.343 -8.017 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.342 -5.979 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.198 -7.360 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.928 -6.968 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.332 -5.327 5.008 1.00 0.00 H new ATOM 663 N PRO A 43 8.058 -10.146 3.932 1.00 0.00 N ATOM 664 CA PRO A 43 7.371 -11.429 4.008 1.00 0.00 C ATOM 665 C PRO A 43 6.550 -11.585 5.280 1.00 0.00 C ATOM 666 O PRO A 43 6.810 -10.930 6.290 1.00 0.00 O ATOM 667 CB PRO A 43 8.512 -12.442 3.964 1.00 0.00 C ATOM 668 CG PRO A 43 9.717 -11.722 4.490 1.00 0.00 C ATOM 669 CD PRO A 43 9.442 -10.235 4.412 1.00 0.00 C ATOM 0 HA PRO A 43 6.646 -11.551 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.282 -13.317 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.681 -12.797 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.920 -12.019 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.600 -11.978 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.557 -9.758 5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.132 -9.738 3.730 1.00 0.00 H new ATOM 677 N ILE A 44 5.537 -12.439 5.205 1.00 0.00 N ATOM 678 CA ILE A 44 4.627 -12.658 6.320 1.00 0.00 C ATOM 679 C ILE A 44 4.557 -14.134 6.695 1.00 0.00 C ATOM 680 O ILE A 44 5.242 -14.583 7.614 1.00 0.00 O ATOM 681 CB ILE A 44 3.214 -12.152 5.972 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.308 -10.956 5.013 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.452 -11.778 7.236 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.949 -9.729 5.631 1.00 0.00 C ATOM 0 H ILE A 44 5.325 -12.995 4.376 1.00 0.00 H new ATOM 0 HA ILE A 44 5.013 -12.099 7.172 1.00 0.00 H new ATOM 0 HB ILE A 44 2.665 -12.952 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.881 -11.251 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.306 -10.698 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.457 -11.423 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.365 -12.653 7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.989 -10.990 7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.981 -8.926 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.364 -9.408 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.963 -9.970 5.950 1.00 0.00 H new ATOM 696 N ALA A 45 3.723 -14.883 5.979 1.00 0.00 N ATOM 697 CA ALA A 45 3.571 -16.311 6.229 1.00 0.00 C ATOM 698 C ALA A 45 4.855 -17.061 5.882 1.00 0.00 C ATOM 699 O ALA A 45 5.940 -16.480 5.872 1.00 0.00 O ATOM 700 CB ALA A 45 2.396 -16.864 5.434 1.00 0.00 C ATOM 0 H ALA A 45 3.143 -14.524 5.221 1.00 0.00 H new ATOM 0 HA ALA A 45 3.371 -16.455 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.294 -17.931 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.481 -16.351 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.570 -16.706 4.370 1.00 0.00 H new ATOM 706 N PHE A 46 4.726 -18.349 5.586 1.00 0.00 N ATOM 707 CA PHE A 46 5.879 -19.163 5.229 1.00 0.00 C ATOM 708 C PHE A 46 6.382 -18.804 3.835 1.00 0.00 C ATOM 709 O PHE A 46 7.550 -19.021 3.512 1.00 0.00 O ATOM 710 CB PHE A 46 5.522 -20.649 5.294 1.00 0.00 C ATOM 711 CG PHE A 46 5.408 -21.173 6.697 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.535 -21.571 7.396 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.173 -21.256 7.321 1.00 0.00 C ATOM 714 CE1 PHE A 46 6.434 -22.049 8.688 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.065 -21.734 8.613 1.00 0.00 C ATOM 716 CZ PHE A 46 5.198 -22.131 9.298 1.00 0.00 C ATOM 0 H PHE A 46 3.837 -18.850 5.586 1.00 0.00 H new ATOM 0 HA PHE A 46 6.675 -18.961 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.577 -20.811 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.281 -21.221 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.505 -21.507 6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.285 -20.944 6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.321 -22.358 9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.097 -21.797 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.117 -22.504 10.308 1.00 0.00 H new ATOM 726 N GLY A 47 5.499 -18.230 3.021 1.00 0.00 N ATOM 727 CA GLY A 47 5.876 -17.849 1.671 1.00 0.00 C ATOM 728 C GLY A 47 5.067 -16.684 1.123 1.00 0.00 C ATOM 729 O GLY A 47 5.262 -16.278 -0.022 1.00 0.00 O ATOM 0 H GLY A 47 4.532 -18.023 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.933 -17.585 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.754 -18.708 1.012 1.00 0.00 H new ATOM 733 N LEU A 48 4.148 -16.152 1.928 1.00 0.00 N ATOM 734 CA LEU A 48 3.314 -15.033 1.496 1.00 0.00 C ATOM 735 C LEU A 48 3.935 -13.697 1.896 1.00 0.00 C ATOM 736 O LEU A 48 3.861 -13.287 3.054 1.00 0.00 O ATOM 737 CB LEU A 48 1.902 -15.159 2.081 1.00 0.00 C ATOM 738 CG LEU A 48 1.278 -16.563 2.017 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.237 -16.482 2.173 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.638 -17.265 0.716 1.00 0.00 C ATOM 0 H LEU A 48 3.963 -16.476 2.877 1.00 0.00 H new ATOM 0 HA LEU A 48 3.248 -15.064 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.930 -14.841 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.247 -14.466 1.554 1.00 0.00 H new ATOM 0 HG LEU A 48 1.685 -17.148 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.662 -17.485 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.480 -16.030 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.653 -15.873 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.183 -18.255 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.268 -16.681 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.721 -17.362 0.643 1.00 0.00 H new ATOM 752 N VAL A 49 4.529 -13.014 0.920 1.00 0.00 N ATOM 753 CA VAL A 49 5.183 -11.732 1.161 1.00 0.00 C ATOM 754 C VAL A 49 4.244 -10.556 0.901 1.00 0.00 C ATOM 755 O VAL A 49 3.650 -10.447 -0.172 1.00 0.00 O ATOM 756 CB VAL A 49 6.438 -11.575 0.274 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.025 -10.175 0.399 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.476 -12.630 0.624 1.00 0.00 C ATOM 0 H VAL A 49 4.570 -13.330 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 49 5.473 -11.724 2.212 1.00 0.00 H new ATOM 0 HB VAL A 49 6.139 -11.720 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.907 -10.092 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.283 -9.440 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.305 -9.989 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.352 -12.503 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.767 -12.522 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.054 -13.622 0.466 1.00 0.00 H new ATOM 768 N ALA A 50 4.162 -9.653 1.874 1.00 0.00 N ATOM 769 CA ALA A 50 3.337 -8.457 1.752 1.00 0.00 C ATOM 770 C ALA A 50 4.166 -7.270 1.289 1.00 0.00 C ATOM 771 O ALA A 50 5.368 -7.198 1.545 1.00 0.00 O ATOM 772 CB ALA A 50 2.673 -8.126 3.078 1.00 0.00 C ATOM 0 H ALA A 50 4.661 -9.729 2.761 1.00 0.00 H new ATOM 0 HA ALA A 50 2.567 -8.661 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.062 -7.230 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.042 -8.959 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.438 -7.951 3.834 1.00 0.00 H new ATOM 778 N LEU A 51 3.518 -6.338 0.604 1.00 0.00 N ATOM 779 CA LEU A 51 4.193 -5.151 0.108 1.00 0.00 C ATOM 780 C LEU A 51 3.645 -3.903 0.785 1.00 0.00 C ATOM 781 O LEU A 51 2.448 -3.620 0.724 1.00 0.00 O ATOM 782 CB LEU A 51 4.044 -5.046 -1.414 1.00 0.00 C ATOM 783 CG LEU A 51 3.675 -6.349 -2.130 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.551 -6.120 -3.628 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.700 -7.435 -1.845 1.00 0.00 C ATOM 0 H LEU A 51 2.524 -6.383 0.380 1.00 0.00 H new ATOM 0 HA LEU A 51 5.254 -5.233 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.281 -4.300 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.982 -4.676 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 51 2.710 -6.681 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.288 -7.057 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.774 -5.380 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.501 -5.759 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.415 -8.350 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.681 -7.110 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.740 -7.625 -0.772 1.00 0.00 H new ATOM 797 N ASN A 52 4.532 -3.172 1.448 1.00 0.00 N ATOM 798 CA ASN A 52 4.154 -1.963 2.159 1.00 0.00 C ATOM 799 C ASN A 52 4.274 -0.754 1.247 1.00 0.00 C ATOM 800 O ASN A 52 5.334 -0.136 1.142 1.00 0.00 O ATOM 801 CB ASN A 52 5.042 -1.785 3.391 1.00 0.00 C ATOM 802 CG ASN A 52 5.343 -3.101 4.086 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.437 -3.299 4.614 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.374 -4.010 4.086 1.00 0.00 N ATOM 0 H ASN A 52 5.525 -3.400 1.507 1.00 0.00 H new ATOM 0 HA ASN A 52 3.116 -2.053 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.978 -1.312 3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.552 -1.111 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.522 -4.913 4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.482 -3.804 3.636 1.00 0.00 H new ATOM 811 N VAL A 53 3.170 -0.424 0.595 1.00 0.00 N ATOM 812 CA VAL A 53 3.131 0.688 -0.336 1.00 0.00 C ATOM 813 C VAL A 53 2.813 1.996 0.375 1.00 0.00 C ATOM 814 O VAL A 53 1.656 2.285 0.680 1.00 0.00 O ATOM 815 CB VAL A 53 2.078 0.456 -1.436 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.276 1.435 -2.582 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.125 -0.980 -1.932 1.00 0.00 C ATOM 0 H VAL A 53 2.283 -0.917 0.696 1.00 0.00 H new ATOM 0 HA VAL A 53 4.121 0.754 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 53 1.091 0.631 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.523 1.255 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.179 2.455 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.269 1.298 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.373 -1.122 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.113 -1.192 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.923 -1.658 -1.103 1.00 0.00 H new ATOM 827 N MET A 54 3.841 2.811 0.578 1.00 0.00 N ATOM 828 CA MET A 54 3.674 4.104 1.226 1.00 0.00 C ATOM 829 C MET A 54 3.248 5.152 0.209 1.00 0.00 C ATOM 830 O MET A 54 3.323 4.923 -0.997 1.00 0.00 O ATOM 831 CB MET A 54 4.978 4.534 1.905 1.00 0.00 C ATOM 832 CG MET A 54 5.317 3.722 3.145 1.00 0.00 C ATOM 833 SD MET A 54 6.641 2.533 2.859 1.00 0.00 S ATOM 834 CE MET A 54 6.867 1.872 4.508 1.00 0.00 C ATOM 0 H MET A 54 4.800 2.598 0.303 1.00 0.00 H new ATOM 0 HA MET A 54 2.897 4.012 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.796 4.447 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.905 5.586 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.609 4.398 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.426 3.193 3.482 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.928 1.700 4.689 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.484 2.583 5.240 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.326 0.930 4.600 1.00 0.00 H new ATOM 844 N VAL A 55 2.763 6.288 0.699 1.00 0.00 N ATOM 845 CA VAL A 55 2.282 7.350 -0.176 1.00 0.00 C ATOM 846 C VAL A 55 2.737 8.722 0.313 1.00 0.00 C ATOM 847 O VAL A 55 2.703 9.012 1.509 1.00 0.00 O ATOM 848 CB VAL A 55 0.741 7.327 -0.283 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.242 5.907 -0.496 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.094 7.936 0.953 1.00 0.00 C ATOM 0 H VAL A 55 2.693 6.496 1.695 1.00 0.00 H new ATOM 0 HA VAL A 55 2.710 7.170 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 55 0.457 7.931 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.846 5.911 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.666 5.507 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.547 5.284 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.991 7.906 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.389 7.368 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.419 8.971 1.062 1.00 0.00 H new ATOM 860 N VAL A 56 3.179 9.561 -0.620 1.00 0.00 N ATOM 861 CA VAL A 56 3.617 10.908 -0.280 1.00 0.00 C ATOM 862 C VAL A 56 2.479 11.905 -0.453 1.00 0.00 C ATOM 863 O VAL A 56 2.189 12.344 -1.566 1.00 0.00 O ATOM 864 CB VAL A 56 4.810 11.366 -1.138 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.624 12.406 -0.387 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.679 10.183 -1.537 1.00 0.00 C ATOM 0 H VAL A 56 3.243 9.332 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 56 3.932 10.876 0.763 1.00 0.00 H new ATOM 0 HB VAL A 56 4.426 11.818 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.466 12.723 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.995 13.267 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.997 11.975 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.515 10.533 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.060 9.693 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.085 9.474 -2.114 1.00 0.00 H new ATOM 876 N VAL A 57 1.834 12.250 0.651 1.00 0.00 N ATOM 877 CA VAL A 57 0.723 13.192 0.621 1.00 0.00 C ATOM 878 C VAL A 57 0.897 14.284 1.671 1.00 0.00 C ATOM 879 O VAL A 57 1.341 14.022 2.786 1.00 0.00 O ATOM 880 CB VAL A 57 -0.624 12.481 0.845 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.869 11.442 -0.237 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.675 11.838 2.220 1.00 0.00 C ATOM 0 H VAL A 57 2.060 11.892 1.579 1.00 0.00 H new ATOM 0 HA VAL A 57 0.721 13.647 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.414 13.230 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.826 10.951 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.886 11.929 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.071 10.700 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.636 11.342 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.127 11.105 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.552 12.605 2.985 1.00 0.00 H new ATOM 892 N GLY A 58 0.557 15.511 1.300 1.00 0.00 N ATOM 893 CA GLY A 58 0.675 16.620 2.226 1.00 0.00 C ATOM 894 C GLY A 58 0.190 17.928 1.633 1.00 0.00 C ATOM 895 O GLY A 58 -0.715 18.563 2.174 1.00 0.00 O ATOM 0 H GLY A 58 0.202 15.758 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.102 16.399 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.717 16.727 2.529 1.00 0.00 H new ATOM 899 N ASP A 59 0.788 18.330 0.515 1.00 0.00 N ATOM 900 CA ASP A 59 0.402 19.566 -0.155 1.00 0.00 C ATOM 901 C ASP A 59 -0.843 19.347 -1.002 1.00 0.00 C ATOM 902 O ASP A 59 -1.453 20.300 -1.491 1.00 0.00 O ATOM 903 CB ASP A 59 1.548 20.080 -1.030 1.00 0.00 C ATOM 904 CG ASP A 59 2.776 20.444 -0.219 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.636 21.210 0.757 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.877 19.965 -0.561 1.00 0.00 O ATOM 0 H ASP A 59 1.541 17.818 0.055 1.00 0.00 H new ATOM 0 HA ASP A 59 0.180 20.313 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.813 19.317 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.212 20.954 -1.588 1.00 0.00 H new ATOM 911 N ALA A 60 -1.210 18.084 -1.170 1.00 0.00 N ATOM 912 CA ALA A 60 -2.389 17.717 -1.941 1.00 0.00 C ATOM 913 C ALA A 60 -3.668 18.171 -1.240 1.00 0.00 C ATOM 914 O ALA A 60 -3.728 19.268 -0.684 1.00 0.00 O ATOM 915 CB ALA A 60 -2.399 16.215 -2.170 1.00 0.00 C ATOM 0 H ALA A 60 -0.703 17.290 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.350 18.223 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.282 15.941 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.503 15.925 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.420 15.701 -1.209 1.00 0.00 H new ATOM 921 N GLU A 61 -4.681 17.313 -1.255 1.00 0.00 N ATOM 922 CA GLU A 61 -5.958 17.624 -0.624 1.00 0.00 C ATOM 923 C GLU A 61 -6.600 16.366 -0.057 1.00 0.00 C ATOM 924 O GLU A 61 -5.942 15.336 0.093 1.00 0.00 O ATOM 925 CB GLU A 61 -6.905 18.280 -1.633 1.00 0.00 C ATOM 926 CG GLU A 61 -6.569 17.969 -3.083 1.00 0.00 C ATOM 927 CD GLU A 61 -7.290 18.882 -4.057 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.525 19.021 -3.938 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.618 19.460 -4.937 1.00 0.00 O ATOM 0 H GLU A 61 -4.643 16.395 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.771 18.320 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.924 17.951 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.883 19.360 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.493 18.063 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.831 16.933 -3.299 1.00 0.00 H new ATOM 936 N GLY A 62 -7.890 16.452 0.252 1.00 0.00 N ATOM 937 CA GLY A 62 -8.596 15.306 0.785 1.00 0.00 C ATOM 938 C GLY A 62 -9.006 14.343 -0.307 1.00 0.00 C ATOM 939 O GLY A 62 -9.812 13.440 -0.083 1.00 0.00 O ATOM 0 H GLY A 62 -8.456 17.293 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.961 14.790 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.481 15.643 1.324 1.00 0.00 H new ATOM 943 N GLY A 63 -8.442 14.540 -1.496 1.00 0.00 N ATOM 944 CA GLY A 63 -8.753 13.677 -2.619 1.00 0.00 C ATOM 945 C GLY A 63 -8.177 12.286 -2.461 1.00 0.00 C ATOM 946 O GLY A 63 -8.524 11.376 -3.215 1.00 0.00 O ATOM 0 H GLY A 63 -7.774 15.284 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.835 13.608 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.366 14.125 -3.535 1.00 0.00 H new ATOM 950 N THR A 64 -7.297 12.116 -1.479 1.00 0.00 N ATOM 951 CA THR A 64 -6.686 10.817 -1.227 1.00 0.00 C ATOM 952 C THR A 64 -7.685 9.880 -0.563 1.00 0.00 C ATOM 953 O THR A 64 -7.391 8.708 -0.330 1.00 0.00 O ATOM 954 CB THR A 64 -5.440 10.958 -0.353 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.779 10.877 1.021 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.695 12.257 -0.567 1.00 0.00 C ATOM 0 H THR A 64 -6.993 12.858 -0.848 1.00 0.00 H new ATOM 0 HA THR A 64 -6.387 10.394 -2.186 1.00 0.00 H new ATOM 0 HB THR A 64 -4.789 10.136 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.968 10.968 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.823 12.288 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.373 12.325 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.352 13.096 -0.335 1.00 0.00 H new ATOM 964 N GLU A 65 -8.866 10.411 -0.259 1.00 0.00 N ATOM 965 CA GLU A 65 -9.934 9.614 0.329 1.00 0.00 C ATOM 966 C GLU A 65 -10.228 8.411 -0.547 1.00 0.00 C ATOM 967 O GLU A 65 -10.729 7.387 -0.083 1.00 0.00 O ATOM 968 CB GLU A 65 -11.198 10.457 0.474 1.00 0.00 C ATOM 969 CG GLU A 65 -11.650 11.104 -0.824 1.00 0.00 C ATOM 970 CD GLU A 65 -12.893 11.955 -0.651 1.00 0.00 C ATOM 971 OE1 GLU A 65 -12.923 12.779 0.288 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.836 11.799 -1.456 1.00 0.00 O ATOM 0 H GLU A 65 -9.106 11.391 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.613 9.274 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.002 9.828 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.022 11.236 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.843 11.722 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.846 10.327 -1.563 1.00 0.00 H new ATOM 979 N ALA A 66 -9.885 8.550 -1.820 1.00 0.00 N ATOM 980 CA ALA A 66 -10.108 7.497 -2.800 1.00 0.00 C ATOM 981 C ALA A 66 -9.425 6.202 -2.381 1.00 0.00 C ATOM 982 O ALA A 66 -9.865 5.117 -2.750 1.00 0.00 O ATOM 983 CB ALA A 66 -9.609 7.935 -4.168 1.00 0.00 C ATOM 0 H ALA A 66 -9.448 9.389 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.181 7.311 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.782 7.138 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.145 8.831 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.542 8.150 -4.114 1.00 0.00 H new ATOM 989 N ALA A 67 -8.377 6.317 -1.571 1.00 0.00 N ATOM 990 CA ALA A 67 -7.655 5.145 -1.094 1.00 0.00 C ATOM 991 C ALA A 67 -8.580 4.255 -0.276 1.00 0.00 C ATOM 992 O ALA A 67 -8.783 3.086 -0.607 1.00 0.00 O ATOM 993 CB ALA A 67 -6.448 5.561 -0.265 1.00 0.00 C ATOM 0 H ALA A 67 -8.011 7.207 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.300 4.581 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.921 4.672 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.777 6.164 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.780 6.145 0.594 1.00 0.00 H new ATOM 999 N GLU A 68 -9.166 4.826 0.770 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.106 4.094 1.608 1.00 0.00 C ATOM 1001 C GLU A 68 -11.278 3.592 0.771 1.00 0.00 C ATOM 1002 O GLU A 68 -11.840 2.531 1.041 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.615 4.985 2.742 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.529 5.413 3.716 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.091 6.074 4.960 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.989 5.482 5.594 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.632 7.185 5.300 1.00 0.00 O ATOM 0 H GLU A 68 -9.007 5.792 1.057 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.590 3.238 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.078 5.874 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.393 4.453 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.941 4.542 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.850 6.104 3.217 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.656 4.381 -0.233 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.744 4.013 -1.129 1.00 0.00 C ATOM 1016 C GLU A 69 -12.403 2.734 -1.882 1.00 0.00 C ATOM 1017 O GLU A 69 -13.191 1.788 -1.917 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.021 5.146 -2.120 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.283 5.931 -1.806 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.913 6.543 -3.041 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.642 5.822 -3.754 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -14.679 7.742 -3.294 1.00 0.00 O ATOM 0 H GLU A 69 -11.223 5.280 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.639 3.840 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.171 5.828 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.103 4.728 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.005 5.272 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.047 6.722 -1.094 1.00 0.00 H new ATOM 1029 N SER A 70 -11.227 2.725 -2.500 1.00 0.00 N ATOM 1030 CA SER A 70 -10.755 1.564 -3.240 1.00 0.00 C ATOM 1031 C SER A 70 -10.561 0.382 -2.304 1.00 0.00 C ATOM 1032 O SER A 70 -10.525 -0.766 -2.741 1.00 0.00 O ATOM 1033 CB SER A 70 -9.442 1.890 -3.955 1.00 0.00 C ATOM 1034 OG SER A 70 -9.364 1.230 -5.207 1.00 0.00 O ATOM 0 H SER A 70 -10.581 3.514 -2.502 1.00 0.00 H new ATOM 0 HA SER A 70 -11.505 1.299 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.363 2.967 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.600 1.591 -3.330 1.00 0.00 H new ATOM 0 HG SER A 70 -8.516 1.456 -5.644 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.457 0.674 -1.011 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.272 -0.358 -0.001 1.00 0.00 C ATOM 1042 C LEU A 71 -11.564 -1.137 0.209 1.00 0.00 C ATOM 1043 O LEU A 71 -11.542 -2.319 0.553 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.824 0.273 1.318 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.404 -0.083 1.768 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.248 -1.590 1.902 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.377 0.482 0.797 1.00 0.00 C ATOM 0 H LEU A 71 -10.498 1.623 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.502 -1.047 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.897 1.357 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.521 -0.028 2.100 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.230 0.366 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.233 -1.824 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.957 -1.965 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.442 -2.063 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.374 0.219 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.547 0.066 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.473 1.567 0.757 1.00 0.00 H new ATOM 1059 N SER A 72 -12.689 -0.463 -0.009 1.00 0.00 N ATOM 1060 CA SER A 72 -13.999 -1.084 0.135 1.00 0.00 C ATOM 1061 C SER A 72 -14.186 -2.195 -0.893 1.00 0.00 C ATOM 1062 O SER A 72 -15.106 -3.006 -0.791 1.00 0.00 O ATOM 1063 CB SER A 72 -15.096 -0.031 -0.026 1.00 0.00 C ATOM 1064 OG SER A 72 -16.109 -0.193 0.951 1.00 0.00 O ATOM 0 H SER A 72 -12.718 0.518 -0.287 1.00 0.00 H new ATOM 0 HA SER A 72 -14.066 -1.522 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.662 0.965 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.532 -0.106 -1.022 1.00 0.00 H new ATOM 0 HG SER A 72 -16.797 0.494 0.826 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.298 -2.222 -1.883 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.359 -3.236 -2.919 1.00 0.00 C ATOM 1072 C GLY A 73 -11.989 -3.536 -3.489 1.00 0.00 C ATOM 1073 O GLY A 73 -11.854 -3.919 -4.652 1.00 0.00 O ATOM 0 H GLY A 73 -12.533 -1.555 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.791 -4.149 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.020 -2.901 -3.718 1.00 0.00 H new ATOM 1077 N ILE A 74 -10.973 -3.352 -2.657 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.589 -3.579 -3.054 1.00 0.00 C ATOM 1079 C ILE A 74 -9.295 -5.077 -3.174 1.00 0.00 C ATOM 1080 O ILE A 74 -10.217 -5.891 -3.238 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.623 -2.915 -2.041 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.292 -2.563 -2.707 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.405 -3.808 -0.827 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.757 -1.204 -2.307 1.00 0.00 C ATOM 0 H ILE A 74 -11.083 -3.042 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.434 -3.124 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.083 -1.989 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.555 -3.324 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.418 -2.591 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.723 -3.318 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.359 -3.989 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.976 -4.758 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.811 -1.021 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.475 -0.433 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.599 -1.178 -1.229 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.011 -5.433 -3.209 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.594 -6.827 -3.313 1.00 0.00 C ATOM 1098 C GLU A 75 -8.277 -7.676 -2.239 1.00 0.00 C ATOM 1099 O GLU A 75 -7.822 -7.743 -1.097 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.071 -6.918 -3.179 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.499 -5.973 -2.136 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.670 -4.859 -2.745 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.413 -4.908 -3.966 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.273 -3.940 -1.999 1.00 0.00 O ATOM 0 H GLU A 75 -7.238 -4.768 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.891 -7.214 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.797 -7.941 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.615 -6.700 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.315 -5.539 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.882 -6.539 -1.438 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.390 -8.302 -2.620 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.166 -9.105 -1.687 1.00 0.00 C ATOM 1113 C GLY A 76 -9.384 -10.257 -1.087 1.00 0.00 C ATOM 1114 O GLY A 76 -9.636 -10.657 0.049 1.00 0.00 O ATOM 0 H GLY A 76 -9.770 -8.266 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.529 -8.465 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.043 -9.500 -2.201 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.435 -10.792 -1.845 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.618 -11.903 -1.369 1.00 0.00 C ATOM 1120 C VAL A 77 -6.441 -11.386 -0.563 1.00 0.00 C ATOM 1121 O VAL A 77 -6.051 -11.982 0.439 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.087 -12.756 -2.535 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.552 -14.086 -2.025 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.172 -12.972 -3.579 1.00 0.00 C ATOM 0 H VAL A 77 -8.212 -10.476 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.255 -12.526 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.265 -12.219 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.181 -14.675 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.740 -13.906 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.352 -14.632 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.777 -13.577 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.018 -13.486 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.500 -12.008 -3.968 1.00 0.00 H new ATOM 1134 N SER A 78 -5.920 -10.242 -0.977 1.00 0.00 N ATOM 1135 CA SER A 78 -4.785 -9.631 -0.312 1.00 0.00 C ATOM 1136 C SER A 78 -5.250 -8.586 0.696 1.00 0.00 C ATOM 1137 O SER A 78 -5.378 -7.408 0.365 1.00 0.00 O ATOM 1138 CB SER A 78 -3.867 -8.990 -1.358 1.00 0.00 C ATOM 1139 OG SER A 78 -3.615 -9.883 -2.430 1.00 0.00 O ATOM 0 H SER A 78 -6.270 -9.716 -1.778 1.00 0.00 H new ATOM 0 HA SER A 78 -4.234 -10.400 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.326 -8.078 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.925 -8.701 -0.892 1.00 0.00 H new ATOM 0 HG SER A 78 -3.028 -9.450 -3.085 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.501 -9.015 1.933 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.919 -8.083 2.974 1.00 0.00 C ATOM 1147 C ASN A 79 -4.724 -7.288 3.436 1.00 0.00 C ATOM 1148 O ASN A 79 -3.667 -7.841 3.744 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.567 -8.800 4.160 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.467 -8.017 5.471 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.618 -6.682 5.424 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -6.271 -8.610 6.530 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.423 -9.987 2.233 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.671 -7.417 2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.617 -8.984 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.094 -9.773 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.160 -9.624 6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.219 -8.088 7.405 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.899 -5.989 3.468 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.822 -5.094 3.790 1.00 0.00 C ATOM 1161 C ILE A 80 -3.884 -4.592 5.221 1.00 0.00 C ATOM 1162 O ILE A 80 -4.963 -4.397 5.782 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.871 -3.879 2.859 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.048 -4.316 1.407 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.626 -3.042 3.027 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.470 -4.197 0.909 1.00 0.00 C ATOM 0 H ILE A 80 -5.788 -5.528 3.272 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.897 -5.658 3.665 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.733 -3.268 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.398 -3.713 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.722 -5.351 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.673 -2.181 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.556 -2.698 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.749 -3.642 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.520 -4.525 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.123 -4.822 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.794 -3.159 0.978 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.712 -4.311 5.776 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.616 -3.685 7.076 1.00 0.00 C ATOM 1180 C GLU A 81 -2.706 -2.189 6.849 1.00 0.00 C ATOM 1181 O GLU A 81 -1.705 -1.470 6.888 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.305 -4.054 7.771 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.232 -3.590 9.216 1.00 0.00 C ATOM 1184 CD GLU A 81 0.089 -3.935 9.875 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.611 -5.041 9.615 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.603 -3.102 10.650 1.00 0.00 O ATOM 0 H GLU A 81 -1.813 -4.511 5.338 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.419 -4.028 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.178 -5.136 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.474 -3.619 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.382 -2.511 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.045 -4.045 9.781 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.906 -1.762 6.484 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.165 -0.386 6.109 1.00 0.00 C ATOM 1195 C VAL A 82 -4.345 0.495 7.343 1.00 0.00 C ATOM 1196 O VAL A 82 -5.336 1.213 7.485 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.419 -0.319 5.208 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.700 1.110 4.765 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.254 -1.222 4.000 1.00 0.00 C ATOM 0 H VAL A 82 -4.728 -2.365 6.441 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.305 -0.009 5.555 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.271 -0.667 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.588 1.127 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.867 1.736 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.847 1.491 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.146 -1.162 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.386 -0.903 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.111 -2.251 4.331 1.00 0.00 H new ATOM 1209 N THR A 83 -3.392 0.395 8.262 1.00 0.00 N ATOM 1210 CA THR A 83 -3.431 1.183 9.484 1.00 0.00 C ATOM 1211 C THR A 83 -2.086 1.843 9.779 1.00 0.00 C ATOM 1212 O THR A 83 -1.870 2.333 10.888 1.00 0.00 O ATOM 1213 CB THR A 83 -3.842 0.301 10.663 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.778 -0.681 10.253 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.462 1.080 11.801 1.00 0.00 C ATOM 0 H THR A 83 -2.585 -0.223 8.183 1.00 0.00 H new ATOM 0 HA THR A 83 -4.167 1.974 9.341 1.00 0.00 H new ATOM 0 HB THR A 83 -2.919 -0.159 11.017 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.027 -1.236 11.021 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.731 0.396 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.746 1.813 12.172 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.356 1.593 11.446 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.154 1.808 8.824 1.00 0.00 N ATOM 1224 CA ASP A 84 0.158 2.388 9.054 1.00 0.00 C ATOM 1225 C ASP A 84 0.149 3.891 8.801 1.00 0.00 C ATOM 1226 O ASP A 84 -0.587 4.389 7.950 1.00 0.00 O ATOM 1227 CB ASP A 84 1.202 1.698 8.185 1.00 0.00 C ATOM 1228 CG ASP A 84 1.541 0.307 8.683 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.623 -0.392 9.165 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.724 -0.083 8.597 1.00 0.00 O ATOM 0 H ASP A 84 -1.285 1.391 7.902 1.00 0.00 H new ATOM 0 HA ASP A 84 0.420 2.231 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.834 1.635 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.108 2.303 8.161 1.00 0.00 H new ATOM 1235 N VAL A 85 0.988 4.601 9.545 1.00 0.00 N ATOM 1236 CA VAL A 85 1.065 6.052 9.453 1.00 0.00 C ATOM 1237 C VAL A 85 2.485 6.549 9.725 1.00 0.00 C ATOM 1238 O VAL A 85 3.161 6.060 10.631 1.00 0.00 O ATOM 1239 CB VAL A 85 0.080 6.699 10.450 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.670 7.937 11.107 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.218 7.031 9.745 1.00 0.00 C ATOM 0 H VAL A 85 1.629 4.190 10.224 1.00 0.00 H new ATOM 0 HA VAL A 85 0.793 6.341 8.438 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.117 5.980 11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.055 8.361 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.575 7.664 11.650 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.914 8.674 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.910 7.487 10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.021 7.727 8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.658 6.118 9.344 1.00 0.00 H new ATOM 1251 N ARG A 86 2.927 7.537 8.945 1.00 0.00 N ATOM 1252 CA ARG A 86 4.263 8.078 9.088 1.00 0.00 C ATOM 1253 C ARG A 86 4.296 9.560 8.667 1.00 0.00 C ATOM 1254 O ARG A 86 4.522 9.892 7.504 1.00 0.00 O ATOM 1255 CB ARG A 86 5.230 7.214 8.269 1.00 0.00 C ATOM 1256 CG ARG A 86 6.306 7.980 7.537 1.00 0.00 C ATOM 1257 CD ARG A 86 7.658 7.298 7.644 1.00 0.00 C ATOM 1258 NE ARG A 86 8.613 7.822 6.673 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.707 7.385 5.421 1.00 0.00 C ATOM 1260 NH1 ARG A 86 7.906 6.417 4.991 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.601 7.913 4.597 1.00 0.00 N ATOM 0 H ARG A 86 2.372 7.974 8.209 1.00 0.00 H new ATOM 0 HA ARG A 86 4.575 8.049 10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.706 6.496 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.655 6.641 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.031 8.079 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.375 8.989 7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.054 7.433 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.536 6.226 7.491 1.00 0.00 H new ATOM 0 HE ARG A 86 9.244 8.566 6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.217 6.007 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.980 6.083 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.219 8.656 4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.671 7.576 3.637 1.00 0.00 H new ATOM 1275 N ARG A 87 3.996 10.445 9.616 1.00 0.00 N ATOM 1276 CA ARG A 87 3.975 11.881 9.346 1.00 0.00 C ATOM 1277 C ARG A 87 5.372 12.499 9.414 1.00 0.00 C ATOM 1278 O ARG A 87 5.923 12.668 10.502 1.00 0.00 O ATOM 1279 CB ARG A 87 3.068 12.591 10.349 1.00 0.00 C ATOM 1280 CG ARG A 87 1.597 12.320 10.117 1.00 0.00 C ATOM 1281 CD ARG A 87 1.128 11.129 10.920 1.00 0.00 C ATOM 1282 NE ARG A 87 -0.099 11.411 11.662 1.00 0.00 N ATOM 1283 CZ ARG A 87 -0.173 11.419 12.990 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.904 11.161 13.720 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -1.325 11.683 13.589 1.00 0.00 N ATOM 0 H ARG A 87 3.765 10.193 10.577 1.00 0.00 H new ATOM 0 HA ARG A 87 3.593 12.011 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.335 12.275 11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.246 13.665 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.015 13.199 10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.420 12.139 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.960 10.285 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.912 10.832 11.617 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.946 11.613 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.793 10.956 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.844 11.168 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.156 11.880 13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.381 11.689 14.607 1.00 0.00 H new ATOM 1299 N LEU A 88 5.932 12.867 8.261 1.00 0.00 N ATOM 1300 CA LEU A 88 7.235 13.530 8.240 1.00 0.00 C ATOM 1301 C LEU A 88 7.070 15.026 8.453 1.00 0.00 C ATOM 1302 O LEU A 88 6.967 15.789 7.490 1.00 0.00 O ATOM 1303 CB LEU A 88 7.985 13.296 6.928 1.00 0.00 C ATOM 1304 CG LEU A 88 7.447 12.192 6.026 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.212 12.187 4.711 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.548 10.841 6.711 1.00 0.00 C ATOM 0 H LEU A 88 5.511 12.720 7.343 1.00 0.00 H new ATOM 0 HA LEU A 88 7.821 13.095 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.985 14.228 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.024 13.067 7.165 1.00 0.00 H new ATOM 0 HG LEU A 88 6.394 12.385 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.825 11.396 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.090 13.150 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.270 12.011 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.158 10.067 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.591 10.628 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.967 10.856 7.633 1.00 0.00 H new ATOM 1318 N MET A 89 7.038 15.435 9.715 1.00 0.00 N ATOM 1319 CA MET A 89 6.879 16.841 10.062 1.00 0.00 C ATOM 1320 C MET A 89 8.235 17.511 10.262 1.00 0.00 C ATOM 1321 O MET A 89 9.256 16.793 10.250 1.00 0.00 O ATOM 1322 CB MET A 89 6.033 16.980 11.327 1.00 0.00 C ATOM 1323 CG MET A 89 6.683 16.389 12.565 1.00 0.00 C ATOM 1324 SD MET A 89 5.650 15.153 13.377 1.00 0.00 S ATOM 1325 CE MET A 89 4.045 15.949 13.324 1.00 0.00 C ATOM 1326 OXT MET A 89 8.264 18.749 10.427 1.00 0.00 O ATOM 0 H MET A 89 7.120 14.811 10.517 1.00 0.00 H new ATOM 0 HA MET A 89 6.370 17.339 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 89 5.830 18.036 11.503 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.071 16.493 11.165 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.635 15.935 12.288 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.905 17.190 13.270 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.459 15.644 14.191 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.175 17.031 13.336 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.524 15.656 12.413 1.00 0.00 H new TER 1336 MET A 89