USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 57 SER OG : rot -17:sc= -0.464 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0326 (180deg=-0.261) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 21 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.0032) USER MOD Single : A 23 MET CE :methyl 149:sc= -0.129 (180deg=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 30 SER OG : rot 34:sc= 1.07 USER MOD Single : A 33 TYR OH : rot -41:sc= 0.00631 USER MOD Single : A 35 SER OG : rot 180:sc= -0.371 USER MOD Single : A 46 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 59 ASN : amide:sc= -7.39! K(o=-7.4!,f=-3.6) USER MOD Single : A 67 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.013) USER MOD Single : A 68 HIS : no HD1:sc= -4.96! K(o=-5!,f=-2.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 32:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.054 -12.063 -18.688 1.00 0.00 N ATOM 2 CA GLY A 1 -2.330 -11.311 -19.898 1.00 0.00 C ATOM 3 C GLY A 1 -3.805 -11.002 -20.064 1.00 0.00 C ATOM 4 O GLY A 1 -4.184 -9.850 -20.279 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.033 -12.249 -18.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.362 -11.514 -17.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.569 -12.966 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.766 -10.378 -19.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.981 -11.877 -20.762 1.00 0.00 H new ATOM 8 N SER A 2 -4.639 -12.032 -19.966 1.00 0.00 N ATOM 9 CA SER A 2 -6.080 -11.865 -20.112 1.00 0.00 C ATOM 10 C SER A 2 -6.536 -10.534 -19.523 1.00 0.00 C ATOM 11 O SER A 2 -7.151 -9.717 -20.208 1.00 0.00 O ATOM 12 CB SER A 2 -6.820 -13.018 -19.430 1.00 0.00 C ATOM 13 OG SER A 2 -8.183 -13.049 -19.818 1.00 0.00 O ATOM 0 H SER A 2 -4.342 -12.991 -19.786 1.00 0.00 H new ATOM 0 HA SER A 2 -6.315 -11.870 -21.176 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.343 -13.964 -19.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.749 -12.910 -18.348 1.00 0.00 H new ATOM 0 HG SER A 2 -8.634 -13.795 -19.370 1.00 0.00 H new ATOM 19 N SER A 3 -6.229 -10.323 -18.247 1.00 0.00 N ATOM 20 CA SER A 3 -6.610 -9.093 -17.562 1.00 0.00 C ATOM 21 C SER A 3 -5.886 -7.891 -18.162 1.00 0.00 C ATOM 22 O SER A 3 -4.816 -8.029 -18.754 1.00 0.00 O ATOM 23 CB SER A 3 -6.297 -9.198 -16.069 1.00 0.00 C ATOM 24 OG SER A 3 -6.803 -8.079 -15.362 1.00 0.00 O ATOM 0 H SER A 3 -5.718 -10.988 -17.667 1.00 0.00 H new ATOM 0 HA SER A 3 -7.683 -8.951 -17.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.731 -10.113 -15.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.219 -9.266 -15.924 1.00 0.00 H new ATOM 0 HG SER A 3 -6.591 -8.171 -14.410 1.00 0.00 H new ATOM 30 N GLY A 4 -6.478 -6.712 -18.003 1.00 0.00 N ATOM 31 CA GLY A 4 -5.877 -5.502 -18.534 1.00 0.00 C ATOM 32 C GLY A 4 -4.842 -4.910 -17.598 1.00 0.00 C ATOM 33 O GLY A 4 -3.701 -5.370 -17.552 1.00 0.00 O ATOM 0 H GLY A 4 -7.363 -6.573 -17.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.410 -5.723 -19.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.657 -4.764 -18.721 1.00 0.00 H new ATOM 37 N SER A 5 -5.240 -3.886 -16.850 1.00 0.00 N ATOM 38 CA SER A 5 -4.337 -3.227 -15.914 1.00 0.00 C ATOM 39 C SER A 5 -4.681 -3.598 -14.474 1.00 0.00 C ATOM 40 O SER A 5 -5.807 -3.993 -14.175 1.00 0.00 O ATOM 41 CB SER A 5 -4.405 -1.708 -16.091 1.00 0.00 C ATOM 42 OG SER A 5 -3.891 -1.319 -17.352 1.00 0.00 O ATOM 0 H SER A 5 -6.182 -3.495 -16.874 1.00 0.00 H new ATOM 0 HA SER A 5 -3.323 -3.566 -16.126 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.438 -1.374 -15.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.839 -1.220 -15.298 1.00 0.00 H new ATOM 0 HG SER A 5 -3.947 -0.345 -17.442 1.00 0.00 H new ATOM 48 N SER A 6 -3.700 -3.468 -13.586 1.00 0.00 N ATOM 49 CA SER A 6 -3.896 -3.793 -12.178 1.00 0.00 C ATOM 50 C SER A 6 -4.505 -2.613 -11.428 1.00 0.00 C ATOM 51 O SER A 6 -4.338 -1.459 -11.821 1.00 0.00 O ATOM 52 CB SER A 6 -2.565 -4.189 -11.535 1.00 0.00 C ATOM 53 OG SER A 6 -2.736 -4.508 -10.165 1.00 0.00 O ATOM 0 H SER A 6 -2.762 -3.140 -13.817 1.00 0.00 H new ATOM 0 HA SER A 6 -4.586 -4.635 -12.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.144 -5.046 -12.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.852 -3.371 -11.635 1.00 0.00 H new ATOM 0 HG SER A 6 -1.912 -4.910 -9.817 1.00 0.00 H new ATOM 59 N GLY A 7 -5.214 -2.912 -10.343 1.00 0.00 N ATOM 60 CA GLY A 7 -5.838 -1.866 -9.554 1.00 0.00 C ATOM 61 C GLY A 7 -4.824 -0.999 -8.834 1.00 0.00 C ATOM 62 O GLY A 7 -4.644 -1.118 -7.622 1.00 0.00 O ATOM 0 H GLY A 7 -5.367 -3.859 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.449 -1.241 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.509 -2.318 -8.823 1.00 0.00 H new ATOM 66 N VAL A 8 -4.158 -0.125 -9.582 1.00 0.00 N ATOM 67 CA VAL A 8 -3.156 0.765 -9.008 1.00 0.00 C ATOM 68 C VAL A 8 -3.806 1.988 -8.372 1.00 0.00 C ATOM 69 O VAL A 8 -4.695 2.607 -8.958 1.00 0.00 O ATOM 70 CB VAL A 8 -2.143 1.230 -10.071 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.845 2.010 -11.172 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.045 2.065 -9.431 1.00 0.00 C ATOM 0 H VAL A 8 -4.294 -0.014 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.631 0.196 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.683 0.350 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.114 2.330 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.591 1.375 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.334 2.885 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.338 2.385 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.485 2.941 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.524 1.468 -8.683 1.00 0.00 H new ATOM 82 N VAL A 9 -3.357 2.333 -7.170 1.00 0.00 N ATOM 83 CA VAL A 9 -3.895 3.484 -6.454 1.00 0.00 C ATOM 84 C VAL A 9 -2.832 4.562 -6.271 1.00 0.00 C ATOM 85 O VAL A 9 -1.954 4.443 -5.417 1.00 0.00 O ATOM 86 CB VAL A 9 -4.444 3.080 -5.073 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.958 4.301 -4.325 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.539 2.035 -5.220 1.00 0.00 C ATOM 0 H VAL A 9 -2.622 1.832 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.711 3.880 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.632 2.643 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.342 3.996 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.144 5.013 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.757 4.770 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.915 1.761 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.353 2.443 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.134 1.151 -5.712 1.00 0.00 H new ATOM 98 N GLU A 10 -2.920 5.615 -7.078 1.00 0.00 N ATOM 99 CA GLU A 10 -1.965 6.714 -7.005 1.00 0.00 C ATOM 100 C GLU A 10 -2.372 7.717 -5.930 1.00 0.00 C ATOM 101 O GLU A 10 -3.430 8.342 -6.016 1.00 0.00 O ATOM 102 CB GLU A 10 -1.858 7.417 -8.360 1.00 0.00 C ATOM 103 CG GLU A 10 -0.662 8.348 -8.470 1.00 0.00 C ATOM 104 CD GLU A 10 -0.879 9.665 -7.752 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.609 9.728 -6.534 1.00 0.00 O ATOM 106 OE2 GLU A 10 -1.319 10.633 -8.406 1.00 0.00 O ATOM 0 H GLU A 10 -3.642 5.730 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.992 6.299 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.796 6.665 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.770 7.988 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.217 7.854 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.453 8.542 -9.522 1.00 0.00 H new ATOM 113 N LEU A 11 -1.525 7.866 -4.917 1.00 0.00 N ATOM 114 CA LEU A 11 -1.796 8.793 -3.823 1.00 0.00 C ATOM 115 C LEU A 11 -0.753 9.906 -3.782 1.00 0.00 C ATOM 116 O LEU A 11 0.397 9.727 -4.182 1.00 0.00 O ATOM 117 CB LEU A 11 -1.815 8.046 -2.489 1.00 0.00 C ATOM 118 CG LEU A 11 -2.927 7.011 -2.315 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.529 5.970 -1.280 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.230 7.689 -1.919 1.00 0.00 C ATOM 0 H LEU A 11 -0.645 7.357 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.774 9.243 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.856 7.544 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.899 8.779 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.080 6.506 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.332 5.242 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.621 5.462 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.348 6.459 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.010 6.937 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.092 8.221 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.523 8.396 -2.696 1.00 0.00 H new ATOM 132 N PRO A 12 -1.162 11.082 -3.283 1.00 0.00 N ATOM 133 CA PRO A 12 -0.277 12.246 -3.175 1.00 0.00 C ATOM 134 C PRO A 12 0.800 12.058 -2.111 1.00 0.00 C ATOM 135 O PRO A 12 0.500 11.752 -0.957 1.00 0.00 O ATOM 136 CB PRO A 12 -1.228 13.378 -2.779 1.00 0.00 C ATOM 137 CG PRO A 12 -2.368 12.697 -2.104 1.00 0.00 C ATOM 138 CD PRO A 12 -2.519 11.366 -2.787 1.00 0.00 C ATOM 0 HA PRO A 12 0.267 12.432 -4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.741 14.089 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.562 13.938 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.171 12.569 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.281 13.286 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.864 10.597 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.243 11.411 -3.601 1.00 0.00 H new ATOM 146 N LYS A 13 2.054 12.244 -2.508 1.00 0.00 N ATOM 147 CA LYS A 13 3.177 12.097 -1.589 1.00 0.00 C ATOM 148 C LYS A 13 3.528 13.433 -0.941 1.00 0.00 C ATOM 149 O LYS A 13 4.019 14.346 -1.605 1.00 0.00 O ATOM 150 CB LYS A 13 4.396 11.539 -2.326 1.00 0.00 C ATOM 151 CG LYS A 13 5.677 11.595 -1.512 1.00 0.00 C ATOM 152 CD LYS A 13 5.801 10.399 -0.583 1.00 0.00 C ATOM 153 CE LYS A 13 5.188 10.687 0.780 1.00 0.00 C ATOM 154 NZ LYS A 13 4.983 9.441 1.569 1.00 0.00 N ATOM 0 H LYS A 13 2.319 12.497 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 13 2.884 11.399 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.198 10.504 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.538 12.098 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.535 11.625 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.697 12.515 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.307 9.536 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.852 10.138 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.837 11.365 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.233 11.195 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.385 9.647 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.517 8.726 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.903 9.078 1.890 1.00 0.00 H new ATOM 168 N THR A 14 3.276 13.539 0.359 1.00 0.00 N ATOM 169 CA THR A 14 3.566 14.763 1.096 1.00 0.00 C ATOM 170 C THR A 14 3.501 14.527 2.601 1.00 0.00 C ATOM 171 O THR A 14 2.797 13.632 3.069 1.00 0.00 O ATOM 172 CB THR A 14 2.584 15.890 0.723 1.00 0.00 C ATOM 173 OG1 THR A 14 2.889 17.073 1.470 1.00 0.00 O ATOM 174 CG2 THR A 14 1.148 15.469 0.994 1.00 0.00 C ATOM 0 H THR A 14 2.872 12.792 0.924 1.00 0.00 H new ATOM 0 HA THR A 14 4.576 15.065 0.821 1.00 0.00 H new ATOM 0 HB THR A 14 2.690 16.096 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.261 17.785 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.473 16.281 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.910 14.586 0.401 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.030 15.238 2.053 1.00 0.00 H new ATOM 182 N ASP A 15 4.239 15.335 3.354 1.00 0.00 N ATOM 183 CA ASP A 15 4.265 15.215 4.807 1.00 0.00 C ATOM 184 C ASP A 15 2.884 14.852 5.346 1.00 0.00 C ATOM 185 O ASP A 15 2.761 14.052 6.273 1.00 0.00 O ATOM 186 CB ASP A 15 4.746 16.521 5.440 1.00 0.00 C ATOM 187 CG ASP A 15 3.745 17.648 5.275 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.431 17.998 4.117 1.00 0.00 O ATOM 189 OD2 ASP A 15 3.275 18.179 6.302 1.00 0.00 O ATOM 0 H ASP A 15 4.827 16.080 2.982 1.00 0.00 H new ATOM 0 HA ASP A 15 4.960 14.417 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.935 16.359 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.694 16.812 4.989 1.00 0.00 H new ATOM 194 N GLU A 16 1.850 15.447 4.760 1.00 0.00 N ATOM 195 CA GLU A 16 0.480 15.188 5.184 1.00 0.00 C ATOM 196 C GLU A 16 0.301 13.726 5.584 1.00 0.00 C ATOM 197 O GLU A 16 -0.234 13.423 6.649 1.00 0.00 O ATOM 198 CB GLU A 16 -0.500 15.545 4.064 1.00 0.00 C ATOM 199 CG GLU A 16 -1.943 15.654 4.529 1.00 0.00 C ATOM 200 CD GLU A 16 -2.297 17.048 5.010 1.00 0.00 C ATOM 201 OE1 GLU A 16 -1.599 18.006 4.615 1.00 0.00 O ATOM 202 OE2 GLU A 16 -3.270 17.181 5.780 1.00 0.00 O ATOM 0 H GLU A 16 1.935 16.111 3.991 1.00 0.00 H new ATOM 0 HA GLU A 16 0.272 15.813 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.199 16.492 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.435 14.789 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.607 15.377 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.116 14.941 5.335 1.00 0.00 H new ATOM 209 N GLY A 17 0.754 12.822 4.719 1.00 0.00 N ATOM 210 CA GLY A 17 0.635 11.403 4.999 1.00 0.00 C ATOM 211 C GLY A 17 -0.355 10.713 4.082 1.00 0.00 C ATOM 212 O GLY A 17 -1.089 11.369 3.342 1.00 0.00 O ATOM 0 H GLY A 17 1.201 13.048 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.612 10.932 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.324 11.265 6.034 1.00 0.00 H new ATOM 216 N LEU A 18 -0.375 9.385 4.128 1.00 0.00 N ATOM 217 CA LEU A 18 -1.281 8.604 3.293 1.00 0.00 C ATOM 218 C LEU A 18 -2.525 8.195 4.075 1.00 0.00 C ATOM 219 O LEU A 18 -3.650 8.459 3.654 1.00 0.00 O ATOM 220 CB LEU A 18 -0.569 7.360 2.759 1.00 0.00 C ATOM 221 CG LEU A 18 0.556 7.611 1.754 1.00 0.00 C ATOM 222 CD1 LEU A 18 0.017 8.300 0.510 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.663 8.440 2.388 1.00 0.00 C ATOM 0 H LEU A 18 0.226 8.827 4.735 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.590 9.227 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.157 6.810 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.311 6.714 2.290 1.00 0.00 H new ATOM 0 HG LEU A 18 0.974 6.649 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.832 8.470 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.739 7.669 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.429 9.255 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.455 8.609 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.259 9.399 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.069 7.907 3.248 1.00 0.00 H new ATOM 235 N GLY A 19 -2.314 7.550 5.219 1.00 0.00 N ATOM 236 CA GLY A 19 -3.427 7.117 6.043 1.00 0.00 C ATOM 237 C GLY A 19 -3.637 5.617 5.993 1.00 0.00 C ATOM 238 O GLY A 19 -4.772 5.142 5.971 1.00 0.00 O ATOM 0 H GLY A 19 -1.392 7.320 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.251 7.422 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.336 7.619 5.713 1.00 0.00 H new ATOM 242 N PHE A 20 -2.539 4.868 5.973 1.00 0.00 N ATOM 243 CA PHE A 20 -2.607 3.413 5.923 1.00 0.00 C ATOM 244 C PHE A 20 -1.443 2.787 6.686 1.00 0.00 C ATOM 245 O PHE A 20 -0.414 3.425 6.902 1.00 0.00 O ATOM 246 CB PHE A 20 -2.597 2.931 4.470 1.00 0.00 C ATOM 247 CG PHE A 20 -1.219 2.817 3.886 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.443 1.692 4.120 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.698 3.833 3.102 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.826 1.585 3.584 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.571 3.732 2.562 1.00 0.00 C ATOM 252 CZ PHE A 20 1.333 2.605 2.803 1.00 0.00 C ATOM 0 H PHE A 20 -1.592 5.245 5.991 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.538 3.101 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.088 1.959 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.184 3.620 3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.835 0.890 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.290 4.715 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.421 0.704 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.966 4.532 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.324 2.522 2.381 1.00 0.00 H new ATOM 262 N ASN A 21 -1.615 1.533 7.091 1.00 0.00 N ATOM 263 CA ASN A 21 -0.580 0.820 7.831 1.00 0.00 C ATOM 264 C ASN A 21 -0.397 -0.593 7.286 1.00 0.00 C ATOM 265 O ASN A 21 -1.342 -1.204 6.787 1.00 0.00 O ATOM 266 CB ASN A 21 -0.936 0.762 9.318 1.00 0.00 C ATOM 267 CG ASN A 21 -0.902 2.129 9.975 1.00 0.00 C ATOM 268 OD1 ASN A 21 0.039 2.460 10.696 1.00 0.00 O ATOM 269 ND2 ASN A 21 -1.932 2.930 9.727 1.00 0.00 N ATOM 0 H ASN A 21 -2.461 0.990 6.919 1.00 0.00 H new ATOM 0 HA ASN A 21 0.358 1.362 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.930 0.331 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.239 0.098 9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.965 3.862 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.690 2.613 9.123 1.00 0.00 H new ATOM 276 N ILE A 22 0.825 -1.105 7.385 1.00 0.00 N ATOM 277 CA ILE A 22 1.132 -2.446 6.903 1.00 0.00 C ATOM 278 C ILE A 22 1.836 -3.268 7.977 1.00 0.00 C ATOM 279 O ILE A 22 2.728 -2.774 8.666 1.00 0.00 O ATOM 280 CB ILE A 22 2.017 -2.403 5.643 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.268 -1.560 5.901 1.00 0.00 C ATOM 282 CG2 ILE A 22 1.232 -1.849 4.464 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.254 -1.577 4.754 1.00 0.00 C ATOM 0 H ILE A 22 1.618 -0.612 7.794 1.00 0.00 H new ATOM 0 HA ILE A 22 0.181 -2.917 6.653 1.00 0.00 H new ATOM 0 HB ILE A 22 2.330 -3.419 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.969 -0.530 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.763 -1.925 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.871 -1.825 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.369 -2.486 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.893 -0.839 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.116 -0.959 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.582 -2.600 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.775 -1.184 3.857 1.00 0.00 H new ATOM 295 N MET A 23 1.430 -4.527 8.112 1.00 0.00 N ATOM 296 CA MET A 23 2.025 -5.419 9.101 1.00 0.00 C ATOM 297 C MET A 23 2.763 -6.568 8.421 1.00 0.00 C ATOM 298 O MET A 23 2.736 -6.699 7.198 1.00 0.00 O ATOM 299 CB MET A 23 0.946 -5.972 10.034 1.00 0.00 C ATOM 300 CG MET A 23 -0.043 -6.894 9.341 1.00 0.00 C ATOM 301 SD MET A 23 -0.769 -8.104 10.463 1.00 0.00 S ATOM 302 CE MET A 23 -2.478 -7.568 10.480 1.00 0.00 C ATOM 0 H MET A 23 0.693 -4.952 7.550 1.00 0.00 H new ATOM 0 HA MET A 23 2.743 -4.845 9.687 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.425 -6.514 10.849 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.402 -5.140 10.481 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.838 -6.297 8.893 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.461 -7.416 8.527 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.128 -8.430 10.630 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.628 -6.855 11.291 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.720 -7.092 9.529 1.00 0.00 H new ATOM 312 N GLY A 24 3.423 -7.398 9.223 1.00 0.00 N ATOM 313 CA GLY A 24 4.160 -8.525 8.681 1.00 0.00 C ATOM 314 C GLY A 24 5.260 -8.095 7.731 1.00 0.00 C ATOM 315 O GLY A 24 5.127 -7.094 7.027 1.00 0.00 O ATOM 0 H GLY A 24 3.461 -7.310 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.595 -9.098 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.471 -9.188 8.158 1.00 0.00 H new ATOM 319 N GLY A 25 6.353 -8.852 7.712 1.00 0.00 N ATOM 320 CA GLY A 25 7.466 -8.526 6.839 1.00 0.00 C ATOM 321 C GLY A 25 8.303 -9.741 6.489 1.00 0.00 C ATOM 322 O GLY A 25 7.791 -10.723 5.952 1.00 0.00 O ATOM 0 H GLY A 25 6.488 -9.685 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.085 -8.075 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.097 -7.781 7.323 1.00 0.00 H new ATOM 326 N LYS A 26 9.595 -9.674 6.792 1.00 0.00 N ATOM 327 CA LYS A 26 10.506 -10.776 6.506 1.00 0.00 C ATOM 328 C LYS A 26 10.638 -11.700 7.712 1.00 0.00 C ATOM 329 O LYS A 26 10.546 -12.920 7.583 1.00 0.00 O ATOM 330 CB LYS A 26 11.882 -10.237 6.110 1.00 0.00 C ATOM 331 CG LYS A 26 12.778 -11.276 5.458 1.00 0.00 C ATOM 332 CD LYS A 26 14.179 -10.737 5.223 1.00 0.00 C ATOM 333 CE LYS A 26 14.962 -11.619 4.264 1.00 0.00 C ATOM 334 NZ LYS A 26 16.212 -10.958 3.796 1.00 0.00 N ATOM 0 H LYS A 26 10.035 -8.868 7.236 1.00 0.00 H new ATOM 0 HA LYS A 26 10.094 -11.349 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.751 -9.400 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.379 -9.847 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.830 -12.162 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.343 -11.588 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.118 -9.726 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.709 -10.671 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.211 -12.559 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.338 -11.865 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.717 -11.592 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.974 -10.074 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.820 -10.746 4.613 1.00 0.00 H new ATOM 348 N GLU A 27 10.853 -11.109 8.884 1.00 0.00 N ATOM 349 CA GLU A 27 10.997 -11.881 10.113 1.00 0.00 C ATOM 350 C GLU A 27 10.102 -13.117 10.087 1.00 0.00 C ATOM 351 O GLU A 27 10.527 -14.211 10.457 1.00 0.00 O ATOM 352 CB GLU A 27 10.655 -11.016 11.328 1.00 0.00 C ATOM 353 CG GLU A 27 10.981 -11.676 12.656 1.00 0.00 C ATOM 354 CD GLU A 27 12.448 -12.039 12.783 1.00 0.00 C ATOM 355 OE1 GLU A 27 13.246 -11.159 13.169 1.00 0.00 O ATOM 356 OE2 GLU A 27 12.798 -13.203 12.497 1.00 0.00 O ATOM 0 H GLU A 27 10.931 -10.100 9.008 1.00 0.00 H new ATOM 0 HA GLU A 27 12.035 -12.206 10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.198 -10.074 11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.593 -10.774 11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.705 -11.004 13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.377 -12.576 12.768 1.00 0.00 H new ATOM 363 N GLN A 28 8.861 -12.933 9.647 1.00 0.00 N ATOM 364 CA GLN A 28 7.906 -14.032 9.574 1.00 0.00 C ATOM 365 C GLN A 28 7.360 -14.186 8.158 1.00 0.00 C ATOM 366 O GLN A 28 6.805 -13.246 7.591 1.00 0.00 O ATOM 367 CB GLN A 28 6.756 -13.802 10.555 1.00 0.00 C ATOM 368 CG GLN A 28 7.208 -13.650 11.998 1.00 0.00 C ATOM 369 CD GLN A 28 6.205 -12.893 12.847 1.00 0.00 C ATOM 370 OE1 GLN A 28 6.484 -11.794 13.326 1.00 0.00 O ATOM 371 NE2 GLN A 28 5.029 -13.479 13.038 1.00 0.00 N ATOM 0 H GLN A 28 8.494 -12.034 9.336 1.00 0.00 H new ATOM 0 HA GLN A 28 8.426 -14.951 9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.210 -12.907 10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.059 -14.638 10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.372 -14.638 12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.165 -13.129 12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.840 -14.391 12.622 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.314 -13.017 13.601 1.00 0.00 H new ATOM 380 N ASN A 29 7.523 -15.378 7.593 1.00 0.00 N ATOM 381 CA ASN A 29 7.047 -15.655 6.242 1.00 0.00 C ATOM 382 C ASN A 29 5.554 -15.364 6.122 1.00 0.00 C ATOM 383 O ASN A 29 4.720 -16.157 6.558 1.00 0.00 O ATOM 384 CB ASN A 29 7.326 -17.112 5.869 1.00 0.00 C ATOM 385 CG ASN A 29 8.781 -17.349 5.514 1.00 0.00 C ATOM 386 OD1 ASN A 29 9.152 -17.356 4.340 1.00 0.00 O ATOM 387 ND2 ASN A 29 9.614 -17.544 6.530 1.00 0.00 N ATOM 0 H ASN A 29 7.981 -16.167 8.049 1.00 0.00 H new ATOM 0 HA ASN A 29 7.583 -15.002 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.048 -17.757 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.698 -17.395 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.605 -17.708 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.263 -17.530 7.487 1.00 0.00 H new ATOM 394 N SER A 30 5.225 -14.223 5.526 1.00 0.00 N ATOM 395 CA SER A 30 3.832 -13.826 5.350 1.00 0.00 C ATOM 396 C SER A 30 3.710 -12.721 4.306 1.00 0.00 C ATOM 397 O SER A 30 4.629 -11.930 4.090 1.00 0.00 O ATOM 398 CB SER A 30 3.243 -13.353 6.681 1.00 0.00 C ATOM 399 OG SER A 30 2.782 -14.448 7.452 1.00 0.00 O ATOM 0 H SER A 30 5.903 -13.557 5.157 1.00 0.00 H new ATOM 0 HA SER A 30 3.273 -14.695 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.998 -12.802 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.420 -12.664 6.494 1.00 0.00 H new ATOM 0 HG SER A 30 3.363 -15.222 7.300 1.00 0.00 H new ATOM 405 N PRO A 31 2.547 -12.663 3.640 1.00 0.00 N ATOM 406 CA PRO A 31 2.276 -11.659 2.607 1.00 0.00 C ATOM 407 C PRO A 31 2.126 -10.257 3.186 1.00 0.00 C ATOM 408 O PRO A 31 1.565 -10.079 4.267 1.00 0.00 O ATOM 409 CB PRO A 31 0.954 -12.129 1.995 1.00 0.00 C ATOM 410 CG PRO A 31 0.296 -12.918 3.074 1.00 0.00 C ATOM 411 CD PRO A 31 1.408 -13.573 3.845 1.00 0.00 C ATOM 0 HA PRO A 31 3.092 -11.583 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.337 -11.284 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.123 -12.738 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.300 -12.274 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.380 -13.663 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.159 -13.674 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.621 -14.574 3.471 1.00 0.00 H new ATOM 419 N ILE A 32 2.630 -9.265 2.460 1.00 0.00 N ATOM 420 CA ILE A 32 2.551 -7.878 2.902 1.00 0.00 C ATOM 421 C ILE A 32 1.213 -7.255 2.518 1.00 0.00 C ATOM 422 O ILE A 32 0.958 -6.982 1.345 1.00 0.00 O ATOM 423 CB ILE A 32 3.690 -7.031 2.306 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.049 -7.606 2.711 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.565 -5.583 2.757 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.210 -7.001 1.954 1.00 0.00 C ATOM 0 H ILE A 32 3.098 -9.396 1.563 1.00 0.00 H new ATOM 0 HA ILE A 32 2.647 -7.886 3.988 1.00 0.00 H new ATOM 0 HB ILE A 32 3.614 -7.060 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.199 -7.446 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.042 -8.684 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.377 -4.997 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.610 -5.179 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.618 -5.535 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.141 -7.455 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.084 -7.184 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.243 -5.927 2.136 1.00 0.00 H new ATOM 438 N TYR A 33 0.364 -7.030 3.514 1.00 0.00 N ATOM 439 CA TYR A 33 -0.949 -6.438 3.280 1.00 0.00 C ATOM 440 C TYR A 33 -1.209 -5.290 4.251 1.00 0.00 C ATOM 441 O TYR A 33 -0.421 -5.045 5.165 1.00 0.00 O ATOM 442 CB TYR A 33 -2.042 -7.499 3.422 1.00 0.00 C ATOM 443 CG TYR A 33 -1.878 -8.378 4.642 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.414 -8.006 5.868 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.187 -9.582 4.566 1.00 0.00 C ATOM 446 CE1 TYR A 33 -2.266 -8.806 6.984 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.035 -10.389 5.677 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.576 -9.997 6.884 1.00 0.00 C ATOM 449 OH TYR A 33 -1.427 -10.797 7.993 1.00 0.00 O ATOM 0 H TYR A 33 0.561 -7.248 4.491 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.966 -6.042 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.012 -7.005 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.046 -8.126 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.956 -7.075 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.762 -9.892 3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.688 -8.501 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.496 -11.322 5.601 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.239 -10.239 8.776 1.00 0.00 H new ATOM 459 N ILE A 34 -2.320 -4.592 4.045 1.00 0.00 N ATOM 460 CA ILE A 34 -2.687 -3.471 4.902 1.00 0.00 C ATOM 461 C ILE A 34 -3.247 -3.958 6.235 1.00 0.00 C ATOM 462 O ILE A 34 -4.260 -4.656 6.276 1.00 0.00 O ATOM 463 CB ILE A 34 -3.727 -2.560 4.224 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.220 -2.104 2.854 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.036 -1.360 5.106 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.076 -1.118 2.930 1.00 0.00 C ATOM 0 H ILE A 34 -2.982 -4.782 3.293 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.776 -2.899 5.080 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.647 -3.127 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.899 -2.977 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.044 -1.650 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.773 -0.726 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.434 -1.703 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.123 -0.790 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.769 -0.839 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.398 -0.228 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.236 -1.575 3.452 1.00 0.00 H new ATOM 478 N SER A 35 -2.581 -3.583 7.322 1.00 0.00 N ATOM 479 CA SER A 35 -3.011 -3.982 8.657 1.00 0.00 C ATOM 480 C SER A 35 -4.193 -3.137 9.123 1.00 0.00 C ATOM 481 O SER A 35 -5.226 -3.667 9.531 1.00 0.00 O ATOM 482 CB SER A 35 -1.853 -3.852 9.649 1.00 0.00 C ATOM 483 OG SER A 35 -1.558 -2.491 9.913 1.00 0.00 O ATOM 0 H SER A 35 -1.742 -3.004 7.305 1.00 0.00 H new ATOM 0 HA SER A 35 -3.327 -5.024 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.108 -4.359 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.969 -4.348 9.248 1.00 0.00 H new ATOM 0 HG SER A 35 -0.816 -2.435 10.551 1.00 0.00 H new ATOM 489 N ARG A 36 -4.031 -1.820 9.060 1.00 0.00 N ATOM 490 CA ARG A 36 -5.083 -0.900 9.476 1.00 0.00 C ATOM 491 C ARG A 36 -5.177 0.287 8.522 1.00 0.00 C ATOM 492 O ARG A 36 -4.183 0.694 7.921 1.00 0.00 O ATOM 493 CB ARG A 36 -4.822 -0.404 10.900 1.00 0.00 C ATOM 494 CG ARG A 36 -6.088 -0.045 11.661 1.00 0.00 C ATOM 495 CD ARG A 36 -6.451 1.421 11.478 1.00 0.00 C ATOM 496 NE ARG A 36 -7.489 1.848 12.412 1.00 0.00 N ATOM 497 CZ ARG A 36 -7.661 3.110 12.792 1.00 0.00 C ATOM 498 NH1 ARG A 36 -6.868 4.062 12.320 1.00 0.00 N ATOM 499 NH2 ARG A 36 -8.628 3.420 13.646 1.00 0.00 N ATOM 0 H ARG A 36 -3.181 -1.366 8.725 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.031 -1.438 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.283 -1.175 11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.173 0.471 10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.911 -0.671 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.949 -0.257 12.721 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.562 2.035 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.793 1.585 10.456 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.116 1.140 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.124 3.827 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.002 5.030 12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.240 2.690 14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.760 4.389 13.938 1.00 0.00 H new ATOM 513 N VAL A 37 -6.379 0.837 8.386 1.00 0.00 N ATOM 514 CA VAL A 37 -6.604 1.977 7.506 1.00 0.00 C ATOM 515 C VAL A 37 -7.239 3.139 8.261 1.00 0.00 C ATOM 516 O VAL A 37 -8.143 2.943 9.074 1.00 0.00 O ATOM 517 CB VAL A 37 -7.505 1.598 6.316 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.684 2.786 5.382 1.00 0.00 C ATOM 519 CG2 VAL A 37 -6.929 0.404 5.570 1.00 0.00 C ATOM 0 H VAL A 37 -7.213 0.511 8.875 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.628 2.283 7.130 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.486 1.318 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.323 2.499 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.145 3.610 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.712 3.101 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.579 0.150 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.936 0.653 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.859 -0.448 6.246 1.00 0.00 H new ATOM 529 N ILE A 38 -6.761 4.348 7.988 1.00 0.00 N ATOM 530 CA ILE A 38 -7.283 5.541 8.641 1.00 0.00 C ATOM 531 C ILE A 38 -8.680 5.880 8.131 1.00 0.00 C ATOM 532 O ILE A 38 -8.898 6.089 6.937 1.00 0.00 O ATOM 533 CB ILE A 38 -6.360 6.754 8.420 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.953 6.452 8.938 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.930 7.986 9.107 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.904 6.160 10.421 1.00 0.00 C ATOM 0 H ILE A 38 -6.013 4.527 7.319 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.331 5.321 9.708 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.298 6.955 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.550 5.597 8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.305 7.301 8.722 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.266 8.835 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.914 8.209 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.018 7.798 10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.875 5.955 10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.276 7.022 10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.525 5.292 10.642 1.00 0.00 H new ATOM 548 N PRO A 39 -9.650 5.939 9.056 1.00 0.00 N ATOM 549 CA PRO A 39 -11.042 6.255 8.724 1.00 0.00 C ATOM 550 C PRO A 39 -11.222 7.709 8.302 1.00 0.00 C ATOM 551 O PRO A 39 -12.339 8.159 8.052 1.00 0.00 O ATOM 552 CB PRO A 39 -11.789 5.981 10.031 1.00 0.00 C ATOM 553 CG PRO A 39 -10.763 6.155 11.097 1.00 0.00 C ATOM 554 CD PRO A 39 -9.461 5.702 10.497 1.00 0.00 C ATOM 0 HA PRO A 39 -11.403 5.668 7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.620 6.673 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.207 4.975 10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.704 7.196 11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.013 5.565 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.618 6.270 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.265 4.651 10.709 1.00 0.00 H new ATOM 562 N GLY A 40 -10.113 8.439 8.223 1.00 0.00 N ATOM 563 CA GLY A 40 -10.171 9.835 7.831 1.00 0.00 C ATOM 564 C GLY A 40 -8.886 10.308 7.181 1.00 0.00 C ATOM 565 O GLY A 40 -8.486 11.460 7.345 1.00 0.00 O ATOM 0 H GLY A 40 -9.176 8.088 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.000 9.981 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.378 10.447 8.709 1.00 0.00 H new ATOM 569 N GLY A 41 -8.235 9.415 6.440 1.00 0.00 N ATOM 570 CA GLY A 41 -6.993 9.766 5.776 1.00 0.00 C ATOM 571 C GLY A 41 -7.110 9.717 4.266 1.00 0.00 C ATOM 572 O GLY A 41 -8.127 9.280 3.728 1.00 0.00 O ATOM 0 H GLY A 41 -8.546 8.455 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.692 10.768 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.206 9.084 6.099 1.00 0.00 H new ATOM 576 N VAL A 42 -6.066 10.169 3.578 1.00 0.00 N ATOM 577 CA VAL A 42 -6.055 10.176 2.120 1.00 0.00 C ATOM 578 C VAL A 42 -6.446 8.812 1.562 1.00 0.00 C ATOM 579 O VAL A 42 -7.324 8.709 0.706 1.00 0.00 O ATOM 580 CB VAL A 42 -4.670 10.566 1.571 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.652 10.470 0.053 1.00 0.00 C ATOM 582 CG2 VAL A 42 -4.290 11.966 2.030 1.00 0.00 C ATOM 0 H VAL A 42 -5.216 10.535 4.007 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.786 10.919 1.801 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.932 9.867 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.666 10.749 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.877 9.447 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.400 11.145 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.309 12.225 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.029 12.681 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.260 11.996 3.119 1.00 0.00 H new ATOM 592 N ALA A 43 -5.787 7.767 2.052 1.00 0.00 N ATOM 593 CA ALA A 43 -6.067 6.409 1.604 1.00 0.00 C ATOM 594 C ALA A 43 -7.569 6.152 1.536 1.00 0.00 C ATOM 595 O ALA A 43 -8.083 5.688 0.518 1.00 0.00 O ATOM 596 CB ALA A 43 -5.398 5.400 2.526 1.00 0.00 C ATOM 0 H ALA A 43 -5.055 7.835 2.759 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.659 6.293 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.616 4.390 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.320 5.561 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.778 5.525 3.540 1.00 0.00 H new ATOM 602 N ASP A 44 -8.266 6.455 2.625 1.00 0.00 N ATOM 603 CA ASP A 44 -9.710 6.257 2.689 1.00 0.00 C ATOM 604 C ASP A 44 -10.433 7.229 1.762 1.00 0.00 C ATOM 605 O ASP A 44 -11.279 6.828 0.963 1.00 0.00 O ATOM 606 CB ASP A 44 -10.207 6.434 4.124 1.00 0.00 C ATOM 607 CG ASP A 44 -11.486 5.665 4.392 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.563 6.138 3.972 1.00 0.00 O ATOM 609 OD2 ASP A 44 -11.410 4.589 5.021 1.00 0.00 O ATOM 0 H ASP A 44 -7.855 6.839 3.476 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.928 5.241 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.434 6.101 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.375 7.493 4.319 1.00 0.00 H new ATOM 614 N ARG A 45 -10.095 8.509 1.876 1.00 0.00 N ATOM 615 CA ARG A 45 -10.713 9.540 1.051 1.00 0.00 C ATOM 616 C ARG A 45 -10.713 9.131 -0.419 1.00 0.00 C ATOM 617 O ARG A 45 -11.766 9.054 -1.053 1.00 0.00 O ATOM 618 CB ARG A 45 -9.978 10.870 1.221 1.00 0.00 C ATOM 619 CG ARG A 45 -9.985 11.392 2.649 1.00 0.00 C ATOM 620 CD ARG A 45 -11.279 12.123 2.968 1.00 0.00 C ATOM 621 NE ARG A 45 -11.470 13.295 2.117 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.517 14.107 2.208 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.464 13.875 3.107 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.619 15.153 1.398 1.00 0.00 N ATOM 0 H ARG A 45 -9.396 8.857 2.532 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.746 9.660 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.946 10.750 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.435 11.614 0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.855 10.561 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.140 12.065 2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.121 11.442 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.273 12.431 4.013 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.760 13.501 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.389 13.071 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.267 14.500 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.893 15.334 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.423 15.776 1.469 1.00 0.00 H new ATOM 638 N HIS A 46 -9.525 8.870 -0.956 1.00 0.00 N ATOM 639 CA HIS A 46 -9.388 8.469 -2.352 1.00 0.00 C ATOM 640 C HIS A 46 -10.357 7.339 -2.690 1.00 0.00 C ATOM 641 O HIS A 46 -11.079 7.405 -3.684 1.00 0.00 O ATOM 642 CB HIS A 46 -7.953 8.028 -2.639 1.00 0.00 C ATOM 643 CG HIS A 46 -7.712 7.668 -4.073 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.360 6.629 -4.706 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.891 8.217 -4.998 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.946 6.553 -5.959 1.00 0.00 C ATOM 647 NE2 HIS A 46 -7.054 7.506 -6.161 1.00 0.00 N ATOM 0 H HIS A 46 -8.644 8.929 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.628 9.329 -2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.272 8.830 -2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.713 7.169 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.230 9.058 -4.849 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.280 5.834 -6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.566 7.685 -7.038 1.00 0.00 H new ATOM 655 N GLY A 47 -10.366 6.304 -1.856 1.00 0.00 N ATOM 656 CA GLY A 47 -11.249 5.175 -2.085 1.00 0.00 C ATOM 657 C GLY A 47 -10.620 4.117 -2.970 1.00 0.00 C ATOM 658 O GLY A 47 -11.109 3.843 -4.065 1.00 0.00 O ATOM 0 H GLY A 47 -9.778 6.227 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.520 4.729 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.172 5.527 -2.545 1.00 0.00 H new ATOM 662 N GLY A 48 -9.529 3.522 -2.495 1.00 0.00 N ATOM 663 CA GLY A 48 -8.849 2.497 -3.265 1.00 0.00 C ATOM 664 C GLY A 48 -8.101 1.514 -2.387 1.00 0.00 C ATOM 665 O GLY A 48 -8.116 0.308 -2.639 1.00 0.00 O ATOM 0 H GLY A 48 -9.105 3.732 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.578 1.958 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.149 2.969 -3.955 1.00 0.00 H new ATOM 669 N LEU A 49 -7.443 2.028 -1.354 1.00 0.00 N ATOM 670 CA LEU A 49 -6.683 1.186 -0.436 1.00 0.00 C ATOM 671 C LEU A 49 -7.470 0.928 0.845 1.00 0.00 C ATOM 672 O LEU A 49 -7.910 1.862 1.516 1.00 0.00 O ATOM 673 CB LEU A 49 -5.343 1.844 -0.100 1.00 0.00 C ATOM 674 CG LEU A 49 -4.225 1.650 -1.124 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.149 2.711 -0.948 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.626 0.256 -1.002 1.00 0.00 C ATOM 0 H LEU A 49 -7.420 3.023 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.499 0.230 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.508 2.914 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.001 1.456 0.860 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.651 1.755 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.362 2.557 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.587 3.700 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.727 2.638 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.832 0.136 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.216 0.123 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.401 -0.490 -1.179 1.00 0.00 H new ATOM 688 N LYS A 50 -7.644 -0.346 1.179 1.00 0.00 N ATOM 689 CA LYS A 50 -8.376 -0.729 2.381 1.00 0.00 C ATOM 690 C LYS A 50 -7.661 -1.859 3.116 1.00 0.00 C ATOM 691 O LYS A 50 -6.692 -2.425 2.611 1.00 0.00 O ATOM 692 CB LYS A 50 -9.799 -1.160 2.021 1.00 0.00 C ATOM 693 CG LYS A 50 -10.760 0.002 1.844 1.00 0.00 C ATOM 694 CD LYS A 50 -11.340 0.454 3.174 1.00 0.00 C ATOM 695 CE LYS A 50 -12.504 1.413 2.978 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.229 1.674 4.252 1.00 0.00 N ATOM 0 H LYS A 50 -7.288 -1.131 0.634 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.422 0.138 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.771 -1.741 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.179 -1.819 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.241 0.835 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.568 -0.292 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.675 -0.415 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.563 0.939 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.134 2.354 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.196 0.999 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.015 2.332 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.604 0.780 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.575 2.093 4.944 1.00 0.00 H new ATOM 710 N ARG A 51 -8.147 -2.182 4.310 1.00 0.00 N ATOM 711 CA ARG A 51 -7.555 -3.245 5.113 1.00 0.00 C ATOM 712 C ARG A 51 -7.733 -4.601 4.438 1.00 0.00 C ATOM 713 O ARG A 51 -8.854 -5.083 4.276 1.00 0.00 O ATOM 714 CB ARG A 51 -8.185 -3.271 6.507 1.00 0.00 C ATOM 715 CG ARG A 51 -7.827 -4.508 7.314 1.00 0.00 C ATOM 716 CD ARG A 51 -8.678 -4.619 8.570 1.00 0.00 C ATOM 717 NE ARG A 51 -10.054 -5.002 8.267 1.00 0.00 N ATOM 718 CZ ARG A 51 -10.449 -6.260 8.111 1.00 0.00 C ATOM 719 NH1 ARG A 51 -9.577 -7.252 8.228 1.00 0.00 N ATOM 720 NH2 ARG A 51 -11.720 -6.529 7.836 1.00 0.00 N ATOM 0 H ARG A 51 -8.949 -1.723 4.742 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.488 -3.043 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.868 -2.385 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.269 -3.213 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.966 -5.397 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.773 -4.472 7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.237 -5.354 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.675 -3.664 9.095 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.750 -4.263 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.600 -7.050 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.884 -8.217 8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.394 -5.769 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.022 -7.496 7.716 1.00 0.00 H new ATOM 734 N GLY A 52 -6.619 -5.212 4.044 1.00 0.00 N ATOM 735 CA GLY A 52 -6.674 -6.506 3.390 1.00 0.00 C ATOM 736 C GLY A 52 -5.928 -6.521 2.071 1.00 0.00 C ATOM 737 O GLY A 52 -5.313 -7.525 1.709 1.00 0.00 O ATOM 0 H GLY A 52 -5.680 -4.833 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.251 -7.262 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.715 -6.779 3.218 1.00 0.00 H new ATOM 741 N ASP A 53 -5.981 -5.406 1.350 1.00 0.00 N ATOM 742 CA ASP A 53 -5.305 -5.295 0.062 1.00 0.00 C ATOM 743 C ASP A 53 -3.817 -5.601 0.202 1.00 0.00 C ATOM 744 O ASP A 53 -3.100 -4.918 0.933 1.00 0.00 O ATOM 745 CB ASP A 53 -5.498 -3.894 -0.520 1.00 0.00 C ATOM 746 CG ASP A 53 -6.949 -3.599 -0.849 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.693 -4.554 -1.153 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.338 -2.414 -0.803 1.00 0.00 O ATOM 0 H ASP A 53 -6.485 -4.566 1.635 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.746 -6.025 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.132 -3.154 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.896 -3.792 -1.423 1.00 0.00 H new ATOM 753 N GLN A 54 -3.361 -6.631 -0.503 1.00 0.00 N ATOM 754 CA GLN A 54 -1.958 -7.027 -0.455 1.00 0.00 C ATOM 755 C GLN A 54 -1.113 -6.151 -1.374 1.00 0.00 C ATOM 756 O GLN A 54 -1.442 -5.964 -2.546 1.00 0.00 O ATOM 757 CB GLN A 54 -1.808 -8.497 -0.852 1.00 0.00 C ATOM 758 CG GLN A 54 -0.513 -9.129 -0.368 1.00 0.00 C ATOM 759 CD GLN A 54 -0.197 -10.430 -1.078 1.00 0.00 C ATOM 760 OE1 GLN A 54 -1.016 -10.953 -1.834 1.00 0.00 O ATOM 761 NE2 GLN A 54 0.996 -10.961 -0.838 1.00 0.00 N ATOM 0 H GLN A 54 -3.941 -7.206 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.604 -6.896 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.650 -9.061 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.859 -8.578 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.308 -8.428 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.581 -9.312 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.644 -10.494 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.264 -11.836 -1.288 1.00 0.00 H new ATOM 770 N LEU A 55 -0.024 -5.615 -0.835 1.00 0.00 N ATOM 771 CA LEU A 55 0.869 -4.757 -1.606 1.00 0.00 C ATOM 772 C LEU A 55 1.720 -5.581 -2.568 1.00 0.00 C ATOM 773 O LEU A 55 2.551 -6.385 -2.144 1.00 0.00 O ATOM 774 CB LEU A 55 1.772 -3.953 -0.669 1.00 0.00 C ATOM 775 CG LEU A 55 2.566 -2.816 -1.314 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.632 -1.709 -1.777 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.601 -2.271 -0.341 1.00 0.00 C ATOM 0 H LEU A 55 0.262 -5.759 0.133 1.00 0.00 H new ATOM 0 HA LEU A 55 0.257 -4.069 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.155 -3.533 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.476 -4.639 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 55 3.088 -3.211 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.214 -0.909 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.929 -2.108 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.082 -1.316 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.157 -1.463 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.099 -1.892 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.289 -3.067 -0.058 1.00 0.00 H new ATOM 789 N LEU A 56 1.508 -5.375 -3.863 1.00 0.00 N ATOM 790 CA LEU A 56 2.257 -6.097 -4.885 1.00 0.00 C ATOM 791 C LEU A 56 3.577 -5.397 -5.189 1.00 0.00 C ATOM 792 O LEU A 56 4.642 -6.013 -5.147 1.00 0.00 O ATOM 793 CB LEU A 56 1.425 -6.220 -6.163 1.00 0.00 C ATOM 794 CG LEU A 56 0.258 -7.206 -6.113 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.540 -7.155 -7.406 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.763 -8.617 -5.850 1.00 0.00 C ATOM 0 H LEU A 56 0.824 -4.714 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 56 2.476 -7.094 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.031 -5.235 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.088 -6.514 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.400 -6.919 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.366 -7.864 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.934 -6.149 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.107 -7.416 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.081 -9.306 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.443 -8.915 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.289 -8.643 -4.896 1.00 0.00 H new ATOM 808 N SER A 57 3.500 -4.105 -5.493 1.00 0.00 N ATOM 809 CA SER A 57 4.689 -3.321 -5.806 1.00 0.00 C ATOM 810 C SER A 57 4.439 -1.835 -5.563 1.00 0.00 C ATOM 811 O SER A 57 3.339 -1.334 -5.792 1.00 0.00 O ATOM 812 CB SER A 57 5.108 -3.548 -7.260 1.00 0.00 C ATOM 813 OG SER A 57 5.340 -4.923 -7.514 1.00 0.00 O ATOM 0 H SER A 57 2.627 -3.579 -5.529 1.00 0.00 H new ATOM 0 HA SER A 57 5.494 -3.649 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.331 -3.177 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.012 -2.977 -7.475 1.00 0.00 H new ATOM 0 HG SER A 57 5.451 -5.398 -6.664 1.00 0.00 H new ATOM 819 N VAL A 58 5.470 -1.137 -5.098 1.00 0.00 N ATOM 820 CA VAL A 58 5.364 0.292 -4.825 1.00 0.00 C ATOM 821 C VAL A 58 6.396 1.081 -5.622 1.00 0.00 C ATOM 822 O VAL A 58 7.538 0.651 -5.776 1.00 0.00 O ATOM 823 CB VAL A 58 5.551 0.592 -3.326 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.498 2.090 -3.071 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.498 -0.135 -2.503 1.00 0.00 C ATOM 0 H VAL A 58 6.388 -1.537 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 58 4.363 0.599 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 58 6.533 0.230 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.632 2.283 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.292 2.583 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.532 2.480 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.645 0.088 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.505 0.195 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.589 -1.209 -2.663 1.00 0.00 H new ATOM 835 N ASN A 59 5.985 2.240 -6.128 1.00 0.00 N ATOM 836 CA ASN A 59 6.874 3.091 -6.910 1.00 0.00 C ATOM 837 C ASN A 59 7.528 2.302 -8.040 1.00 0.00 C ATOM 838 O ASN A 59 8.706 2.489 -8.342 1.00 0.00 O ATOM 839 CB ASN A 59 7.951 3.702 -6.011 1.00 0.00 C ATOM 840 CG ASN A 59 7.386 4.727 -5.047 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.525 4.595 -3.831 1.00 0.00 O ATOM 842 ND2 ASN A 59 6.743 5.756 -5.587 1.00 0.00 N ATOM 0 H ASN A 59 5.042 2.611 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 59 6.277 3.892 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.442 2.909 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.714 4.172 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.341 6.477 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.652 5.825 -6.601 1.00 0.00 H new ATOM 849 N GLY A 60 6.753 1.418 -8.663 1.00 0.00 N ATOM 850 CA GLY A 60 7.273 0.614 -9.753 1.00 0.00 C ATOM 851 C GLY A 60 8.374 -0.327 -9.305 1.00 0.00 C ATOM 852 O GLY A 60 9.267 -0.665 -10.083 1.00 0.00 O ATOM 0 H GLY A 60 5.775 1.245 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.461 0.035 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.656 1.271 -10.534 1.00 0.00 H new ATOM 856 N VAL A 61 8.312 -0.751 -8.047 1.00 0.00 N ATOM 857 CA VAL A 61 9.312 -1.659 -7.496 1.00 0.00 C ATOM 858 C VAL A 61 8.653 -2.851 -6.812 1.00 0.00 C ATOM 859 O VAL A 61 7.804 -2.687 -5.936 1.00 0.00 O ATOM 860 CB VAL A 61 10.226 -0.941 -6.485 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.240 -1.911 -5.899 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.923 0.240 -7.144 1.00 0.00 C ATOM 0 H VAL A 61 7.580 -0.481 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 61 9.915 -2.011 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 61 9.610 -0.561 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.877 -1.386 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.717 -2.720 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.854 -2.323 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.565 0.736 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.528 -0.114 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.177 0.945 -7.510 1.00 0.00 H new ATOM 872 N SER A 62 9.052 -4.053 -7.216 1.00 0.00 N ATOM 873 CA SER A 62 8.498 -5.275 -6.644 1.00 0.00 C ATOM 874 C SER A 62 8.877 -5.406 -5.172 1.00 0.00 C ATOM 875 O SER A 62 10.054 -5.521 -4.829 1.00 0.00 O ATOM 876 CB SER A 62 8.993 -6.497 -7.420 1.00 0.00 C ATOM 877 OG SER A 62 8.318 -6.622 -8.659 1.00 0.00 O ATOM 0 H SER A 62 9.757 -4.207 -7.937 1.00 0.00 H new ATOM 0 HA SER A 62 7.412 -5.222 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.066 -6.411 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.837 -7.397 -6.825 1.00 0.00 H new ATOM 0 HG SER A 62 8.654 -7.409 -9.136 1.00 0.00 H new ATOM 883 N VAL A 63 7.870 -5.386 -4.304 1.00 0.00 N ATOM 884 CA VAL A 63 8.096 -5.503 -2.868 1.00 0.00 C ATOM 885 C VAL A 63 7.702 -6.886 -2.361 1.00 0.00 C ATOM 886 O VAL A 63 8.193 -7.341 -1.329 1.00 0.00 O ATOM 887 CB VAL A 63 7.304 -4.438 -2.087 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.724 -3.040 -2.516 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.809 -4.637 -2.280 1.00 0.00 C ATOM 0 H VAL A 63 6.890 -5.290 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 63 9.162 -5.348 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 63 7.527 -4.550 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.154 -2.300 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.788 -2.904 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.532 -2.913 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.265 -3.875 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.565 -4.553 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.524 -5.625 -1.919 1.00 0.00 H new ATOM 899 N GLU A 64 6.814 -7.549 -3.095 1.00 0.00 N ATOM 900 CA GLU A 64 6.355 -8.881 -2.719 1.00 0.00 C ATOM 901 C GLU A 64 7.534 -9.833 -2.540 1.00 0.00 C ATOM 902 O GLU A 64 8.101 -10.325 -3.515 1.00 0.00 O ATOM 903 CB GLU A 64 5.396 -9.432 -3.777 1.00 0.00 C ATOM 904 CG GLU A 64 4.006 -8.821 -3.715 1.00 0.00 C ATOM 905 CD GLU A 64 3.155 -9.418 -2.611 1.00 0.00 C ATOM 906 OE1 GLU A 64 2.768 -10.599 -2.735 1.00 0.00 O ATOM 907 OE2 GLU A 64 2.876 -8.706 -1.625 1.00 0.00 O ATOM 0 H GLU A 64 6.398 -7.186 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 64 5.828 -8.801 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.818 -9.254 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.315 -10.512 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.093 -7.745 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.506 -8.966 -4.673 1.00 0.00 H new ATOM 914 N GLY A 65 7.898 -10.087 -1.287 1.00 0.00 N ATOM 915 CA GLY A 65 9.007 -10.978 -1.002 1.00 0.00 C ATOM 916 C GLY A 65 10.123 -10.289 -0.242 1.00 0.00 C ATOM 917 O GLY A 65 10.712 -10.871 0.669 1.00 0.00 O ATOM 0 H GLY A 65 7.444 -9.691 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.647 -11.827 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.400 -11.375 -1.938 1.00 0.00 H new ATOM 921 N GLU A 66 10.415 -9.048 -0.618 1.00 0.00 N ATOM 922 CA GLU A 66 11.471 -8.281 0.035 1.00 0.00 C ATOM 923 C GLU A 66 11.121 -8.008 1.495 1.00 0.00 C ATOM 924 O GLU A 66 10.046 -8.379 1.966 1.00 0.00 O ATOM 925 CB GLU A 66 11.702 -6.961 -0.702 1.00 0.00 C ATOM 926 CG GLU A 66 12.328 -7.132 -2.076 1.00 0.00 C ATOM 927 CD GLU A 66 13.518 -8.072 -2.062 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.579 -7.679 -1.534 1.00 0.00 O ATOM 929 OE2 GLU A 66 13.387 -9.201 -2.579 1.00 0.00 O ATOM 0 H GLU A 66 9.936 -8.552 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 66 12.387 -8.871 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.749 -6.442 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.346 -6.324 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.577 -7.513 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.643 -6.158 -2.451 1.00 0.00 H new ATOM 936 N GLN A 67 12.037 -7.357 2.204 1.00 0.00 N ATOM 937 CA GLN A 67 11.826 -7.034 3.611 1.00 0.00 C ATOM 938 C GLN A 67 10.884 -5.844 3.761 1.00 0.00 C ATOM 939 O GLN A 67 10.813 -4.981 2.886 1.00 0.00 O ATOM 940 CB GLN A 67 13.162 -6.732 4.292 1.00 0.00 C ATOM 941 CG GLN A 67 13.032 -6.425 5.775 1.00 0.00 C ATOM 942 CD GLN A 67 14.311 -5.868 6.370 1.00 0.00 C ATOM 943 OE1 GLN A 67 14.946 -6.504 7.212 1.00 0.00 O ATOM 944 NE2 GLN A 67 14.695 -4.674 5.934 1.00 0.00 N ATOM 0 H GLN A 67 12.932 -7.043 1.828 1.00 0.00 H new ATOM 0 HA GLN A 67 11.368 -7.898 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.827 -7.586 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.631 -5.884 3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.224 -5.709 5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.754 -7.335 6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.138 -4.183 5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.547 -4.248 6.298 1.00 0.00 H new ATOM 953 N HIS A 68 10.162 -5.805 4.877 1.00 0.00 N ATOM 954 CA HIS A 68 9.224 -4.720 5.142 1.00 0.00 C ATOM 955 C HIS A 68 9.877 -3.364 4.893 1.00 0.00 C ATOM 956 O HIS A 68 9.361 -2.547 4.131 1.00 0.00 O ATOM 957 CB HIS A 68 8.715 -4.797 6.581 1.00 0.00 C ATOM 958 CG HIS A 68 7.669 -3.776 6.903 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.567 -4.047 7.687 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.561 -2.475 6.543 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.826 -2.959 7.794 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.407 -1.990 7.109 1.00 0.00 N ATOM 0 H HIS A 68 10.209 -6.511 5.611 1.00 0.00 H new ATOM 0 HA HIS A 68 8.380 -4.828 4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.307 -5.792 6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.556 -4.670 7.262 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.253 -1.922 5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.902 -2.876 8.347 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.056 -1.037 7.016 1.00 0.00 H new ATOM 970 N GLU A 69 11.014 -3.132 5.542 1.00 0.00 N ATOM 971 CA GLU A 69 11.736 -1.874 5.392 1.00 0.00 C ATOM 972 C GLU A 69 11.766 -1.435 3.930 1.00 0.00 C ATOM 973 O GLU A 69 11.542 -0.266 3.616 1.00 0.00 O ATOM 974 CB GLU A 69 13.164 -2.012 5.923 1.00 0.00 C ATOM 975 CG GLU A 69 13.738 -0.717 6.472 1.00 0.00 C ATOM 976 CD GLU A 69 12.760 0.023 7.364 1.00 0.00 C ATOM 977 OE1 GLU A 69 12.676 -0.318 8.562 1.00 0.00 O ATOM 978 OE2 GLU A 69 12.078 0.942 6.864 1.00 0.00 O ATOM 0 H GLU A 69 11.455 -3.798 6.176 1.00 0.00 H new ATOM 0 HA GLU A 69 11.213 -1.114 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.179 -2.768 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.807 -2.373 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.644 -0.936 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.027 -0.072 5.642 1.00 0.00 H new ATOM 985 N LYS A 70 12.045 -2.382 3.040 1.00 0.00 N ATOM 986 CA LYS A 70 12.104 -2.096 1.612 1.00 0.00 C ATOM 987 C LYS A 70 10.906 -1.259 1.174 1.00 0.00 C ATOM 988 O LYS A 70 11.053 -0.289 0.431 1.00 0.00 O ATOM 989 CB LYS A 70 12.149 -3.399 0.811 1.00 0.00 C ATOM 990 CG LYS A 70 12.675 -3.227 -0.603 1.00 0.00 C ATOM 991 CD LYS A 70 14.193 -3.281 -0.644 1.00 0.00 C ATOM 992 CE LYS A 70 14.699 -3.711 -2.012 1.00 0.00 C ATOM 993 NZ LYS A 70 16.080 -4.263 -1.944 1.00 0.00 N ATOM 0 H LYS A 70 12.234 -3.354 3.283 1.00 0.00 H new ATOM 0 HA LYS A 70 13.013 -1.526 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.776 -4.118 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.146 -3.823 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.265 -4.009 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.333 -2.274 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.600 -2.301 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.554 -3.977 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.028 -4.462 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.682 -2.858 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.389 -4.545 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.726 -3.538 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.092 -5.093 -1.317 1.00 0.00 H new ATOM 1007 N ALA A 71 9.722 -1.639 1.641 1.00 0.00 N ATOM 1008 CA ALA A 71 8.500 -0.922 1.301 1.00 0.00 C ATOM 1009 C ALA A 71 8.493 0.474 1.916 1.00 0.00 C ATOM 1010 O ALA A 71 8.105 1.446 1.269 1.00 0.00 O ATOM 1011 CB ALA A 71 7.280 -1.709 1.758 1.00 0.00 C ATOM 0 H ALA A 71 9.583 -2.440 2.257 1.00 0.00 H new ATOM 0 HA ALA A 71 8.462 -0.813 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.375 -1.161 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.269 -2.682 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.321 -1.849 2.838 1.00 0.00 H new ATOM 1017 N VAL A 72 8.924 0.564 3.170 1.00 0.00 N ATOM 1018 CA VAL A 72 8.967 1.841 3.873 1.00 0.00 C ATOM 1019 C VAL A 72 9.917 2.815 3.185 1.00 0.00 C ATOM 1020 O VAL A 72 9.523 3.917 2.805 1.00 0.00 O ATOM 1021 CB VAL A 72 9.408 1.660 5.338 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.508 3.008 6.036 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.445 0.740 6.074 1.00 0.00 C ATOM 0 H VAL A 72 9.248 -0.232 3.720 1.00 0.00 H new ATOM 0 HA VAL A 72 7.956 2.248 3.853 1.00 0.00 H new ATOM 0 HB VAL A 72 10.395 1.198 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.821 2.860 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.239 3.631 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.536 3.500 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.772 0.623 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.444 1.172 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.428 -0.235 5.586 1.00 0.00 H new ATOM 1033 N GLU A 73 11.170 2.399 3.028 1.00 0.00 N ATOM 1034 CA GLU A 73 12.177 3.236 2.386 1.00 0.00 C ATOM 1035 C GLU A 73 11.692 3.720 1.022 1.00 0.00 C ATOM 1036 O GLU A 73 12.028 4.822 0.585 1.00 0.00 O ATOM 1037 CB GLU A 73 13.489 2.465 2.229 1.00 0.00 C ATOM 1038 CG GLU A 73 13.351 1.188 1.418 1.00 0.00 C ATOM 1039 CD GLU A 73 14.649 0.779 0.748 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.442 0.053 1.383 1.00 0.00 O ATOM 1041 OE2 GLU A 73 14.872 1.186 -0.412 1.00 0.00 O ATOM 0 H GLU A 73 11.512 1.489 3.336 1.00 0.00 H new ATOM 0 HA GLU A 73 12.349 4.105 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.225 3.111 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.876 2.218 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.014 0.382 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.582 1.326 0.658 1.00 0.00 H new ATOM 1048 N LEU A 74 10.902 2.888 0.352 1.00 0.00 N ATOM 1049 CA LEU A 74 10.371 3.229 -0.963 1.00 0.00 C ATOM 1050 C LEU A 74 9.470 4.457 -0.884 1.00 0.00 C ATOM 1051 O LEU A 74 9.675 5.438 -1.601 1.00 0.00 O ATOM 1052 CB LEU A 74 9.592 2.047 -1.542 1.00 0.00 C ATOM 1053 CG LEU A 74 10.432 0.919 -2.144 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.636 -0.376 -2.183 1.00 0.00 C ATOM 1055 CD2 LEU A 74 10.909 1.297 -3.539 1.00 0.00 C ATOM 0 H LEU A 74 10.615 1.972 0.698 1.00 0.00 H new ATOM 0 HA LEU A 74 11.211 3.459 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.968 1.627 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.920 2.423 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 74 11.306 0.765 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.249 -1.167 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.344 -0.654 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.743 -0.236 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.505 0.484 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.047 1.478 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.517 2.200 -3.483 1.00 0.00 H new ATOM 1067 N LEU A 75 8.472 4.398 -0.009 1.00 0.00 N ATOM 1068 CA LEU A 75 7.540 5.506 0.166 1.00 0.00 C ATOM 1069 C LEU A 75 8.286 6.833 0.273 1.00 0.00 C ATOM 1070 O LEU A 75 7.979 7.789 -0.438 1.00 0.00 O ATOM 1071 CB LEU A 75 6.684 5.286 1.414 1.00 0.00 C ATOM 1072 CG LEU A 75 5.522 4.303 1.266 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.163 3.696 2.613 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.314 4.993 0.650 1.00 0.00 C ATOM 0 H LEU A 75 8.288 3.594 0.591 1.00 0.00 H new ATOM 0 HA LEU A 75 6.891 5.545 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.332 4.934 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.281 6.249 1.728 1.00 0.00 H new ATOM 0 HG LEU A 75 5.834 3.499 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.334 2.999 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.026 3.165 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.871 4.488 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.497 4.278 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.000 5.817 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.578 5.379 -0.335 1.00 0.00 H new ATOM 1086 N LYS A 76 9.268 6.882 1.166 1.00 0.00 N ATOM 1087 CA LYS A 76 10.061 8.089 1.366 1.00 0.00 C ATOM 1088 C LYS A 76 10.940 8.370 0.151 1.00 0.00 C ATOM 1089 O LYS A 76 11.151 9.524 -0.220 1.00 0.00 O ATOM 1090 CB LYS A 76 10.932 7.951 2.617 1.00 0.00 C ATOM 1091 CG LYS A 76 10.133 7.794 3.900 1.00 0.00 C ATOM 1092 CD LYS A 76 11.042 7.623 5.105 1.00 0.00 C ATOM 1093 CE LYS A 76 11.680 6.243 5.130 1.00 0.00 C ATOM 1094 NZ LYS A 76 12.967 6.241 5.880 1.00 0.00 N ATOM 0 H LYS A 76 9.534 6.099 1.763 1.00 0.00 H new ATOM 0 HA LYS A 76 9.375 8.926 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.588 7.088 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.572 8.829 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.498 8.668 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.473 6.931 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.821 8.385 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.469 7.777 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.992 5.533 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.854 5.905 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.371 5.283 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.633 6.900 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.797 6.539 6.862 1.00 0.00 H new ATOM 1108 N ALA A 77 11.448 7.307 -0.464 1.00 0.00 N ATOM 1109 CA ALA A 77 12.300 7.440 -1.639 1.00 0.00 C ATOM 1110 C ALA A 77 11.590 8.208 -2.749 1.00 0.00 C ATOM 1111 O ALA A 77 12.210 8.986 -3.473 1.00 0.00 O ATOM 1112 CB ALA A 77 12.731 6.068 -2.136 1.00 0.00 C ATOM 0 H ALA A 77 11.284 6.345 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 77 13.186 8.006 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.367 6.182 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.286 5.554 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.850 5.483 -2.400 1.00 0.00 H new ATOM 1118 N ALA A 78 10.287 7.984 -2.877 1.00 0.00 N ATOM 1119 CA ALA A 78 9.492 8.656 -3.897 1.00 0.00 C ATOM 1120 C ALA A 78 9.260 10.119 -3.537 1.00 0.00 C ATOM 1121 O ALA A 78 9.627 10.565 -2.450 1.00 0.00 O ATOM 1122 CB ALA A 78 8.163 7.940 -4.088 1.00 0.00 C ATOM 0 H ALA A 78 9.759 7.342 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 78 10.047 8.624 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.580 8.453 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.345 6.912 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.610 7.942 -3.148 1.00 0.00 H new ATOM 1128 N GLN A 79 8.650 10.861 -4.456 1.00 0.00 N ATOM 1129 CA GLN A 79 8.371 12.275 -4.234 1.00 0.00 C ATOM 1130 C GLN A 79 7.208 12.743 -5.103 1.00 0.00 C ATOM 1131 O GLN A 79 6.974 12.207 -6.185 1.00 0.00 O ATOM 1132 CB GLN A 79 9.615 13.114 -4.530 1.00 0.00 C ATOM 1133 CG GLN A 79 9.882 13.304 -6.014 1.00 0.00 C ATOM 1134 CD GLN A 79 10.735 14.523 -6.303 1.00 0.00 C ATOM 1135 OE1 GLN A 79 10.320 15.657 -6.060 1.00 0.00 O ATOM 1136 NE2 GLN A 79 11.935 14.297 -6.825 1.00 0.00 N ATOM 0 H GLN A 79 8.340 10.507 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 79 8.094 12.406 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.503 14.092 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.482 12.638 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.379 12.417 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.932 13.397 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.239 13.341 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.553 15.079 -7.041 1.00 0.00 H new ATOM 1145 N GLY A 80 6.482 13.747 -4.621 1.00 0.00 N ATOM 1146 CA GLY A 80 5.352 14.270 -5.366 1.00 0.00 C ATOM 1147 C GLY A 80 4.159 13.336 -5.342 1.00 0.00 C ATOM 1148 O GLY A 80 3.120 13.659 -4.765 1.00 0.00 O ATOM 0 H GLY A 80 6.656 14.208 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.062 15.235 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.652 14.445 -6.399 1.00 0.00 H new ATOM 1152 N SER A 81 4.306 12.174 -5.970 1.00 0.00 N ATOM 1153 CA SER A 81 3.230 11.191 -6.023 1.00 0.00 C ATOM 1154 C SER A 81 3.790 9.774 -6.077 1.00 0.00 C ATOM 1155 O SER A 81 4.770 9.507 -6.774 1.00 0.00 O ATOM 1156 CB SER A 81 2.337 11.446 -7.239 1.00 0.00 C ATOM 1157 OG SER A 81 3.106 11.543 -8.425 1.00 0.00 O ATOM 0 H SER A 81 5.160 11.890 -6.450 1.00 0.00 H new ATOM 0 HA SER A 81 2.634 11.292 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.612 10.638 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.771 12.366 -7.092 1.00 0.00 H new ATOM 0 HG SER A 81 2.512 11.704 -9.188 1.00 0.00 H new ATOM 1163 N VAL A 82 3.161 8.866 -5.337 1.00 0.00 N ATOM 1164 CA VAL A 82 3.594 7.475 -5.301 1.00 0.00 C ATOM 1165 C VAL A 82 2.516 6.548 -5.851 1.00 0.00 C ATOM 1166 O VAL A 82 1.323 6.777 -5.649 1.00 0.00 O ATOM 1167 CB VAL A 82 3.952 7.035 -3.869 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.226 7.722 -3.402 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.800 7.327 -2.919 1.00 0.00 C ATOM 0 H VAL A 82 2.349 9.070 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 82 4.483 7.405 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 82 4.128 5.959 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.463 7.399 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.047 7.458 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.082 8.802 -3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.070 7.010 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.591 8.397 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.913 6.784 -3.245 1.00 0.00 H new ATOM 1179 N LYS A 83 2.942 5.499 -6.546 1.00 0.00 N ATOM 1180 CA LYS A 83 2.014 4.535 -7.124 1.00 0.00 C ATOM 1181 C LYS A 83 2.001 3.241 -6.317 1.00 0.00 C ATOM 1182 O LYS A 83 2.973 2.485 -6.321 1.00 0.00 O ATOM 1183 CB LYS A 83 2.393 4.239 -8.577 1.00 0.00 C ATOM 1184 CG LYS A 83 1.765 5.195 -9.577 1.00 0.00 C ATOM 1185 CD LYS A 83 2.398 5.060 -10.951 1.00 0.00 C ATOM 1186 CE LYS A 83 1.424 5.444 -12.054 1.00 0.00 C ATOM 1187 NZ LYS A 83 0.544 4.305 -12.438 1.00 0.00 N ATOM 0 H LYS A 83 3.926 5.295 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 83 1.015 4.969 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.478 4.283 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.091 3.221 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.695 4.998 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.878 6.220 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.283 5.694 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.731 4.033 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.810 6.281 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.980 5.784 -12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.105 4.607 -13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.128 3.515 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.006 3.997 -11.611 1.00 0.00 H new ATOM 1201 N LEU A 84 0.893 2.991 -5.628 1.00 0.00 N ATOM 1202 CA LEU A 84 0.753 1.786 -4.817 1.00 0.00 C ATOM 1203 C LEU A 84 -0.148 0.767 -5.507 1.00 0.00 C ATOM 1204 O LEU A 84 -1.346 0.994 -5.674 1.00 0.00 O ATOM 1205 CB LEU A 84 0.185 2.137 -3.441 1.00 0.00 C ATOM 1206 CG LEU A 84 0.946 3.203 -2.652 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.010 3.933 -1.701 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.104 2.577 -1.889 1.00 0.00 C ATOM 0 H LEU A 84 0.079 3.606 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 84 1.742 1.344 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.843 2.474 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.149 1.227 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 84 1.352 3.928 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.569 4.688 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.784 4.415 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.427 3.220 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.634 3.351 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.720 1.830 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.788 2.102 -2.592 1.00 0.00 H new ATOM 1220 N VAL A 85 0.437 -0.359 -5.905 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.314 -1.415 -6.574 1.00 0.00 C ATOM 1222 C VAL A 85 -0.871 -2.415 -5.568 1.00 0.00 C ATOM 1223 O VAL A 85 -0.257 -2.679 -4.534 1.00 0.00 O ATOM 1224 CB VAL A 85 0.562 -2.165 -7.596 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.237 -3.264 -8.279 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.135 -1.195 -8.619 1.00 0.00 C ATOM 0 H VAL A 85 1.428 -0.563 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.140 -0.933 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 85 1.393 -2.630 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.398 -3.783 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.594 -3.973 -7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.089 -2.825 -8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.751 -1.741 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.320 -0.700 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.745 -0.448 -8.111 1.00 0.00 H new ATOM 1236 N VAL A 86 -2.039 -2.970 -5.877 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.679 -3.943 -5.001 1.00 0.00 C ATOM 1238 C VAL A 86 -3.329 -5.063 -5.806 1.00 0.00 C ATOM 1239 O VAL A 86 -3.636 -4.896 -6.986 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.746 -3.280 -4.110 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -3.104 -2.277 -3.164 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.812 -2.611 -4.965 1.00 0.00 C ATOM 0 H VAL A 86 -2.561 -2.762 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.897 -4.361 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.225 -4.054 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.873 -1.819 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.381 -2.788 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.597 -1.504 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.558 -2.148 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.350 -1.848 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.293 -3.358 -5.597 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.537 -6.205 -5.159 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.150 -7.354 -5.814 1.00 0.00 C ATOM 1254 C ARG A 87 -5.579 -7.562 -5.322 1.00 0.00 C ATOM 1255 O ARG A 87 -5.804 -7.888 -4.157 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.323 -8.615 -5.559 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.403 -9.634 -6.684 1.00 0.00 C ATOM 1258 CD ARG A 87 -4.735 -10.368 -6.678 1.00 0.00 C ATOM 1259 NE ARG A 87 -5.050 -10.941 -7.984 1.00 0.00 N ATOM 1260 CZ ARG A 87 -4.506 -12.062 -8.444 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -3.625 -12.727 -7.709 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -4.844 -12.521 -9.643 1.00 0.00 N ATOM 0 H ARG A 87 -3.290 -6.359 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.178 -7.157 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.281 -8.332 -5.410 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.662 -9.081 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.268 -9.131 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.590 -10.353 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.708 -11.161 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.527 -9.679 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.724 -10.454 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.363 -12.378 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.209 -13.588 -8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.522 -12.013 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.426 -13.382 -9.996 1.00 0.00 H new ATOM 1276 N SER A 88 -6.542 -7.369 -6.218 1.00 0.00 N ATOM 1277 CA SER A 88 -7.950 -7.532 -5.874 1.00 0.00 C ATOM 1278 C SER A 88 -8.504 -8.830 -6.452 1.00 0.00 C ATOM 1279 O SER A 88 -7.927 -9.411 -7.370 1.00 0.00 O ATOM 1280 CB SER A 88 -8.763 -6.342 -6.390 1.00 0.00 C ATOM 1281 OG SER A 88 -8.732 -6.279 -7.805 1.00 0.00 O ATOM 0 H SER A 88 -6.373 -7.100 -7.187 1.00 0.00 H new ATOM 0 HA SER A 88 -8.031 -7.575 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.795 -6.427 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.365 -5.417 -5.973 1.00 0.00 H new ATOM 0 HG SER A 88 -9.260 -5.512 -8.110 1.00 0.00 H new ATOM 1287 N GLY A 89 -9.630 -9.280 -5.906 1.00 0.00 N ATOM 1288 CA GLY A 89 -10.245 -10.507 -6.379 1.00 0.00 C ATOM 1289 C GLY A 89 -11.503 -10.252 -7.186 1.00 0.00 C ATOM 1290 O GLY A 89 -12.212 -9.268 -6.974 1.00 0.00 O ATOM 0 H GLY A 89 -10.127 -8.817 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.529 -11.056 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.487 -11.141 -5.526 1.00 0.00 H new ATOM 1294 N PRO A 90 -11.793 -11.152 -8.136 1.00 0.00 N ATOM 1295 CA PRO A 90 -12.975 -11.041 -8.997 1.00 0.00 C ATOM 1296 C PRO A 90 -14.273 -11.281 -8.234 1.00 0.00 C ATOM 1297 O PRO A 90 -14.535 -12.390 -7.769 1.00 0.00 O ATOM 1298 CB PRO A 90 -12.757 -12.139 -10.041 1.00 0.00 C ATOM 1299 CG PRO A 90 -11.881 -13.136 -9.365 1.00 0.00 C ATOM 1300 CD PRO A 90 -10.992 -12.349 -8.443 1.00 0.00 C ATOM 0 HA PRO A 90 -13.077 -10.043 -9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.702 -12.586 -10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.285 -11.742 -10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.474 -13.863 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.292 -13.694 -10.092 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.749 -12.912 -7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.047 -12.089 -8.921 1.00 0.00 H new ATOM 1308 N SER A 91 -15.083 -10.234 -8.110 1.00 0.00 N ATOM 1309 CA SER A 91 -16.353 -10.331 -7.401 1.00 0.00 C ATOM 1310 C SER A 91 -17.485 -9.732 -8.230 1.00 0.00 C ATOM 1311 O SER A 91 -17.246 -9.001 -9.191 1.00 0.00 O ATOM 1312 CB SER A 91 -16.263 -9.619 -6.050 1.00 0.00 C ATOM 1313 OG SER A 91 -15.505 -10.377 -5.123 1.00 0.00 O ATOM 0 H SER A 91 -14.882 -9.310 -8.491 1.00 0.00 H new ATOM 0 HA SER A 91 -16.568 -11.386 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.806 -8.638 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.265 -9.453 -5.655 1.00 0.00 H new ATOM 0 HG SER A 91 -15.461 -9.899 -4.268 1.00 0.00 H new ATOM 1319 N SER A 92 -18.719 -10.047 -7.849 1.00 0.00 N ATOM 1320 CA SER A 92 -19.890 -9.543 -8.559 1.00 0.00 C ATOM 1321 C SER A 92 -20.390 -8.246 -7.930 1.00 0.00 C ATOM 1322 O SER A 92 -20.779 -8.218 -6.764 1.00 0.00 O ATOM 1323 CB SER A 92 -21.006 -10.589 -8.552 1.00 0.00 C ATOM 1324 OG SER A 92 -21.445 -10.858 -7.231 1.00 0.00 O ATOM 0 H SER A 92 -18.934 -10.648 -7.054 1.00 0.00 H new ATOM 0 HA SER A 92 -19.599 -9.339 -9.589 1.00 0.00 H new ATOM 0 HB2 SER A 92 -21.844 -10.235 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.649 -11.509 -9.014 1.00 0.00 H new ATOM 0 HG SER A 92 -21.364 -10.046 -6.688 1.00 0.00 H new ATOM 1330 N GLY A 93 -20.375 -7.172 -8.714 1.00 0.00 N ATOM 1331 CA GLY A 93 -20.828 -5.885 -8.218 1.00 0.00 C ATOM 1332 C GLY A 93 -19.683 -5.003 -7.762 1.00 0.00 C ATOM 1333 O GLY A 93 -18.611 -5.003 -8.368 1.00 0.00 O ATOM 0 H GLY A 93 -20.057 -7.170 -9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.387 -5.373 -9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -21.515 -6.041 -7.387 1.00 0.00 H new TER 1337 GLY A 93