USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 1.07 USER MOD Set 1.2: A 51 THR OG1 : rot 132:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -75:sc= 0.138 USER MOD Single : A 6 THR OG1 : rot 110:sc= 0.892 USER MOD Single : A 11 ASN : amide:sc=-0.00716 K(o=-0.0072,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= 1.11 (180deg=-2.02) USER MOD Single : A 16 SER OG : rot 85:sc= 0.996 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.6!) USER MOD Single : A 26 HIS : no HD1:sc= -0.0545 K(o=-0.054,f=-1.2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0.266 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.065 USER MOD Single : A 55 GLN : amide:sc= 0.824 K(o=0.82,f=-7!) USER MOD Single : A 60 SER OG : rot 170:sc= -0.484 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0.884 (180deg=0.767) USER MOD Single : A 69 LYS NZ :NH3+ -115:sc= 1.25 (180deg=-0.439) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.17) USER MOD Single : A 83 GLN : amide:sc= 0.832 K(o=0.83,f=-5.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.676) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.385 -8.241 10.740 1.00 0.00 N ATOM 2 CA GLY A 1 13.093 -8.930 10.531 1.00 0.00 C ATOM 3 C GLY A 1 13.286 -10.400 10.237 1.00 0.00 C ATOM 4 O GLY A 1 14.412 -10.849 10.026 1.00 0.00 O ATOM 0 H1 GLY A 1 14.510 -8.037 11.752 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.161 -8.851 10.411 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.394 -7.350 10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.471 -8.815 11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.559 -8.460 9.705 1.00 0.00 H new ATOM 10 N SER A 2 12.194 -11.153 10.231 1.00 0.00 N ATOM 11 CA SER A 2 12.244 -12.578 9.921 1.00 0.00 C ATOM 12 C SER A 2 12.657 -12.801 8.470 1.00 0.00 C ATOM 13 O SER A 2 13.394 -13.738 8.155 1.00 0.00 O ATOM 14 CB SER A 2 10.877 -13.214 10.182 1.00 0.00 C ATOM 15 OG SER A 2 10.125 -12.439 11.103 1.00 0.00 O ATOM 0 H SER A 2 11.259 -10.800 10.438 1.00 0.00 H new ATOM 0 HA SER A 2 12.988 -13.048 10.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.329 -13.305 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.010 -14.223 10.573 1.00 0.00 H new ATOM 0 HG SER A 2 9.255 -12.863 11.253 1.00 0.00 H new ATOM 21 N MET A 3 12.186 -11.926 7.595 1.00 0.00 N ATOM 22 CA MET A 3 12.479 -12.013 6.173 1.00 0.00 C ATOM 23 C MET A 3 12.290 -10.645 5.527 1.00 0.00 C ATOM 24 O MET A 3 11.562 -9.808 6.064 1.00 0.00 O ATOM 25 CB MET A 3 11.558 -13.041 5.507 1.00 0.00 C ATOM 26 CG MET A 3 12.302 -14.141 4.772 1.00 0.00 C ATOM 27 SD MET A 3 11.212 -15.457 4.198 1.00 0.00 S ATOM 28 CE MET A 3 11.917 -15.795 2.586 1.00 0.00 C ATOM 0 H MET A 3 11.591 -11.137 7.850 1.00 0.00 H new ATOM 0 HA MET A 3 13.513 -12.332 6.040 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.921 -13.491 6.268 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.902 -12.527 4.805 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.826 -13.711 3.918 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.060 -14.564 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.351 -16.590 2.101 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.874 -14.894 1.974 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.955 -16.107 2.701 1.00 0.00 H new ATOM 38 N PRO A 4 12.958 -10.391 4.388 1.00 0.00 N ATOM 39 CA PRO A 4 12.789 -9.146 3.631 1.00 0.00 C ATOM 40 C PRO A 4 11.320 -8.832 3.366 1.00 0.00 C ATOM 41 O PRO A 4 10.566 -9.687 2.896 1.00 0.00 O ATOM 42 CB PRO A 4 13.523 -9.430 2.319 1.00 0.00 C ATOM 43 CG PRO A 4 14.559 -10.433 2.682 1.00 0.00 C ATOM 44 CD PRO A 4 13.949 -11.283 3.761 1.00 0.00 C ATOM 0 HA PRO A 4 13.174 -8.280 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.844 -9.818 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.973 -8.524 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.837 -11.038 1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.468 -9.946 3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.480 -12.177 3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.698 -11.618 4.479 1.00 0.00 H new ATOM 52 N THR A 5 10.912 -7.616 3.693 1.00 0.00 N ATOM 53 CA THR A 5 9.533 -7.204 3.513 1.00 0.00 C ATOM 54 C THR A 5 9.211 -6.997 2.036 1.00 0.00 C ATOM 55 O THR A 5 9.755 -6.103 1.386 1.00 0.00 O ATOM 56 CB THR A 5 9.248 -5.919 4.301 1.00 0.00 C ATOM 57 OG1 THR A 5 10.482 -5.367 4.787 1.00 0.00 O ATOM 58 CG2 THR A 5 8.321 -6.205 5.473 1.00 0.00 C ATOM 0 H THR A 5 11.520 -6.897 4.085 1.00 0.00 H new ATOM 0 HA THR A 5 8.893 -8.000 3.894 1.00 0.00 H new ATOM 0 HB THR A 5 8.762 -5.204 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.801 -5.898 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.130 -5.282 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.379 -6.608 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.789 -6.931 6.138 1.00 0.00 H new ATOM 66 N THR A 6 8.338 -7.844 1.513 1.00 0.00 N ATOM 67 CA THR A 6 7.988 -7.823 0.106 1.00 0.00 C ATOM 68 C THR A 6 6.937 -6.760 -0.207 1.00 0.00 C ATOM 69 O THR A 6 5.739 -6.999 -0.043 1.00 0.00 O ATOM 70 CB THR A 6 7.447 -9.199 -0.322 1.00 0.00 C ATOM 71 OG1 THR A 6 7.048 -9.943 0.841 1.00 0.00 O ATOM 72 CG2 THR A 6 8.503 -9.978 -1.092 1.00 0.00 C ATOM 0 H THR A 6 7.855 -8.562 2.052 1.00 0.00 H new ATOM 0 HA THR A 6 8.895 -7.582 -0.448 1.00 0.00 H new ATOM 0 HB THR A 6 6.586 -9.047 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.071 -10.021 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.099 -10.947 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.789 -9.420 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.379 -10.126 -0.460 1.00 0.00 H new ATOM 80 N CYS A 7 7.383 -5.583 -0.639 1.00 0.00 N ATOM 81 CA CYS A 7 6.461 -4.581 -1.146 1.00 0.00 C ATOM 82 C CYS A 7 5.885 -5.064 -2.467 1.00 0.00 C ATOM 83 O CYS A 7 6.600 -5.626 -3.302 1.00 0.00 O ATOM 84 CB CYS A 7 7.144 -3.222 -1.335 1.00 0.00 C ATOM 85 SG CYS A 7 6.025 -1.910 -1.944 1.00 0.00 S ATOM 0 H CYS A 7 8.365 -5.306 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 7 5.664 -4.444 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.574 -2.907 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.970 -3.336 -2.037 1.00 0.00 H new ATOM 90 N GLY A 8 4.599 -4.847 -2.645 1.00 0.00 N ATOM 91 CA GLY A 8 3.931 -5.326 -3.830 1.00 0.00 C ATOM 92 C GLY A 8 3.885 -4.288 -4.920 1.00 0.00 C ATOM 93 O GLY A 8 3.269 -4.504 -5.966 1.00 0.00 O ATOM 0 H GLY A 8 4.001 -4.345 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.443 -6.214 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.915 -5.627 -3.575 1.00 0.00 H new ATOM 97 N PHE A 9 4.531 -3.158 -4.679 1.00 0.00 N ATOM 98 CA PHE A 9 4.573 -2.093 -5.660 1.00 0.00 C ATOM 99 C PHE A 9 5.585 -2.422 -6.749 1.00 0.00 C ATOM 100 O PHE A 9 6.728 -2.778 -6.457 1.00 0.00 O ATOM 101 CB PHE A 9 4.915 -0.757 -4.999 1.00 0.00 C ATOM 102 CG PHE A 9 3.834 0.268 -5.166 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.804 1.078 -6.288 1.00 0.00 C ATOM 104 CD2 PHE A 9 2.843 0.409 -4.212 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.805 2.014 -6.454 1.00 0.00 C ATOM 106 CE2 PHE A 9 1.841 1.346 -4.369 1.00 0.00 C ATOM 107 CZ PHE A 9 1.820 2.147 -5.494 1.00 0.00 C ATOM 0 H PHE A 9 5.032 -2.958 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 9 3.586 -2.004 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.095 -0.918 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.842 -0.373 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.571 0.976 -7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.853 -0.221 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.792 2.642 -7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.076 1.452 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.034 2.877 -5.623 1.00 0.00 H new ATOM 117 N PRO A 10 5.182 -2.296 -8.023 1.00 0.00 N ATOM 118 CA PRO A 10 6.040 -2.639 -9.162 1.00 0.00 C ATOM 119 C PRO A 10 7.227 -1.693 -9.314 1.00 0.00 C ATOM 120 O PRO A 10 8.108 -1.916 -10.149 1.00 0.00 O ATOM 121 CB PRO A 10 5.104 -2.519 -10.367 1.00 0.00 C ATOM 122 CG PRO A 10 4.030 -1.585 -9.929 1.00 0.00 C ATOM 123 CD PRO A 10 3.857 -1.809 -8.453 1.00 0.00 C ATOM 0 HA PRO A 10 6.484 -3.628 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.631 -2.133 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.694 -3.489 -10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.305 -0.551 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.101 -1.781 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.580 -0.890 -7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.074 -2.539 -8.246 1.00 0.00 H new ATOM 131 N ASN A 11 7.251 -0.645 -8.507 1.00 0.00 N ATOM 132 CA ASN A 11 8.309 0.352 -8.573 1.00 0.00 C ATOM 133 C ASN A 11 8.492 1.051 -7.230 1.00 0.00 C ATOM 134 O ASN A 11 8.397 2.278 -7.135 1.00 0.00 O ATOM 135 CB ASN A 11 7.999 1.380 -9.662 1.00 0.00 C ATOM 136 CG ASN A 11 9.227 2.146 -10.124 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.348 1.896 -9.675 1.00 0.00 O ATOM 138 ND2 ASN A 11 9.023 3.089 -11.028 1.00 0.00 N ATOM 0 H ASN A 11 6.545 -0.461 -7.794 1.00 0.00 H new ATOM 0 HA ASN A 11 9.239 -0.160 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.552 0.872 -10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.258 2.086 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.808 3.639 -11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.081 3.267 -11.376 1.00 0.00 H new ATOM 145 N CYS A 12 8.735 0.273 -6.183 1.00 0.00 N ATOM 146 CA CYS A 12 9.058 0.851 -4.893 1.00 0.00 C ATOM 147 C CYS A 12 10.511 1.310 -4.885 1.00 0.00 C ATOM 148 O CYS A 12 11.434 0.526 -4.646 1.00 0.00 O ATOM 149 CB CYS A 12 8.807 -0.138 -3.751 1.00 0.00 C ATOM 150 SG CYS A 12 8.779 0.646 -2.101 1.00 0.00 S ATOM 0 H CYS A 12 8.714 -0.747 -6.204 1.00 0.00 H new ATOM 0 HA CYS A 12 8.404 1.708 -4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.856 -0.643 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.582 -0.904 -3.767 1.00 0.00 H new ATOM 155 N LYS A 13 10.709 2.587 -5.162 1.00 0.00 N ATOM 156 CA LYS A 13 12.043 3.170 -5.154 1.00 0.00 C ATOM 157 C LYS A 13 12.421 3.565 -3.736 1.00 0.00 C ATOM 158 O LYS A 13 13.478 4.139 -3.496 1.00 0.00 O ATOM 159 CB LYS A 13 12.132 4.392 -6.080 1.00 0.00 C ATOM 160 CG LYS A 13 10.837 4.739 -6.801 1.00 0.00 C ATOM 161 CD LYS A 13 9.999 5.713 -5.994 1.00 0.00 C ATOM 162 CE LYS A 13 8.727 6.092 -6.730 1.00 0.00 C ATOM 163 NZ LYS A 13 7.917 7.067 -5.959 1.00 0.00 N ATOM 0 H LYS A 13 9.963 3.242 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 13 12.741 2.420 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.447 5.254 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.909 4.212 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.066 5.173 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.265 3.829 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.745 5.267 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.582 6.610 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.981 6.517 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.135 5.196 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.912 6.806 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.220 7.060 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.051 8.019 -6.355 1.00 0.00 H new ATOM 177 N PHE A 14 11.538 3.245 -2.801 1.00 0.00 N ATOM 178 CA PHE A 14 11.764 3.541 -1.398 1.00 0.00 C ATOM 179 C PHE A 14 12.622 2.449 -0.779 1.00 0.00 C ATOM 180 O PHE A 14 13.600 2.733 -0.090 1.00 0.00 O ATOM 181 CB PHE A 14 10.428 3.671 -0.660 1.00 0.00 C ATOM 182 CG PHE A 14 9.492 4.658 -1.300 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.541 6.001 -0.958 1.00 0.00 C ATOM 184 CD2 PHE A 14 8.570 4.248 -2.252 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.688 6.913 -1.550 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.717 5.156 -2.849 1.00 0.00 C ATOM 187 CZ PHE A 14 7.775 6.490 -2.496 1.00 0.00 C ATOM 0 H PHE A 14 10.652 2.777 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 14 12.290 4.491 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.945 2.695 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.617 3.974 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.254 6.338 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.518 3.206 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.735 7.956 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.006 4.823 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.107 7.201 -2.959 1.00 0.00 H new ATOM 197 N ARG A 15 12.262 1.198 -1.052 1.00 0.00 N ATOM 198 CA ARG A 15 13.079 0.064 -0.640 1.00 0.00 C ATOM 199 C ARG A 15 14.395 0.078 -1.405 1.00 0.00 C ATOM 200 O ARG A 15 15.472 -0.136 -0.842 1.00 0.00 O ATOM 201 CB ARG A 15 12.349 -1.250 -0.912 1.00 0.00 C ATOM 202 CG ARG A 15 11.146 -1.495 -0.014 1.00 0.00 C ATOM 203 CD ARG A 15 10.630 -2.923 -0.150 1.00 0.00 C ATOM 204 NE ARG A 15 11.537 -3.766 -0.934 1.00 0.00 N ATOM 205 CZ ARG A 15 11.230 -4.290 -2.121 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.034 -4.068 -2.664 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.120 -5.030 -2.772 1.00 0.00 N ATOM 0 H ARG A 15 11.412 0.946 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 15 13.272 0.145 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.020 -1.261 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.052 -2.074 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.420 -1.303 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.351 -0.794 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.499 -3.357 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.648 -2.909 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 15 12.460 -3.964 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.349 -3.495 -2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.804 -4.471 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.040 -5.198 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.884 -5.430 -3.680 1.00 0.00 H new ATOM 221 N SER A 16 14.299 0.356 -2.699 1.00 0.00 N ATOM 222 CA SER A 16 15.467 0.411 -3.562 1.00 0.00 C ATOM 223 C SER A 16 16.390 1.566 -3.170 1.00 0.00 C ATOM 224 O SER A 16 17.588 1.529 -3.449 1.00 0.00 O ATOM 225 CB SER A 16 15.027 0.543 -5.021 1.00 0.00 C ATOM 226 OG SER A 16 14.015 -0.406 -5.329 1.00 0.00 O ATOM 0 H SER A 16 13.417 0.548 -3.174 1.00 0.00 H new ATOM 0 HA SER A 16 16.029 -0.515 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.655 1.551 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.883 0.395 -5.679 1.00 0.00 H new ATOM 0 HG SER A 16 13.140 -0.045 -5.076 1.00 0.00 H new ATOM 232 N ARG A 17 15.834 2.575 -2.500 1.00 0.00 N ATOM 233 CA ARG A 17 16.621 3.719 -2.043 1.00 0.00 C ATOM 234 C ARG A 17 17.662 3.280 -1.020 1.00 0.00 C ATOM 235 O ARG A 17 18.761 3.828 -0.959 1.00 0.00 O ATOM 236 CB ARG A 17 15.713 4.788 -1.429 1.00 0.00 C ATOM 237 CG ARG A 17 16.176 6.213 -1.690 1.00 0.00 C ATOM 238 CD ARG A 17 15.002 7.184 -1.728 1.00 0.00 C ATOM 239 NE ARG A 17 14.736 7.776 -0.415 1.00 0.00 N ATOM 240 CZ ARG A 17 14.785 9.086 -0.161 1.00 0.00 C ATOM 241 NH1 ARG A 17 15.116 9.946 -1.117 1.00 0.00 N ATOM 242 NH2 ARG A 17 14.502 9.533 1.054 1.00 0.00 N ATOM 0 H ARG A 17 14.843 2.623 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 17 17.131 4.143 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.705 4.666 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.655 4.627 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.876 6.517 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.714 6.254 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.210 7.976 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.111 6.662 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 17 14.499 7.148 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.335 9.608 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.151 10.945 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.248 8.877 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.539 10.533 1.251 1.00 0.00 H new ATOM 256 N TYR A 18 17.310 2.278 -0.220 1.00 0.00 N ATOM 257 CA TYR A 18 18.219 1.749 0.789 1.00 0.00 C ATOM 258 C TYR A 18 18.958 0.529 0.250 1.00 0.00 C ATOM 259 O TYR A 18 19.529 -0.253 1.014 1.00 0.00 O ATOM 260 CB TYR A 18 17.455 1.378 2.062 1.00 0.00 C ATOM 261 CG TYR A 18 16.437 2.412 2.493 1.00 0.00 C ATOM 262 CD1 TYR A 18 16.791 3.748 2.648 1.00 0.00 C ATOM 263 CD2 TYR A 18 15.122 2.049 2.747 1.00 0.00 C ATOM 264 CE1 TYR A 18 15.860 4.690 3.041 1.00 0.00 C ATOM 265 CE2 TYR A 18 14.188 2.986 3.140 1.00 0.00 C ATOM 266 CZ TYR A 18 14.561 4.302 3.286 1.00 0.00 C ATOM 267 OH TYR A 18 13.627 5.236 3.677 1.00 0.00 O ATOM 0 H TYR A 18 16.401 1.816 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 18 18.946 2.523 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.947 0.427 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.169 1.227 2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 18 17.809 4.054 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 18 14.825 1.017 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.149 5.724 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.168 2.687 3.332 1.00 0.00 H new ATOM 0 HH TYR A 18 12.760 4.797 3.807 1.00 0.00 H new ATOM 277 N ARG A 19 18.932 0.376 -1.076 1.00 0.00 N ATOM 278 CA ARG A 19 19.626 -0.711 -1.767 1.00 0.00 C ATOM 279 C ARG A 19 19.030 -2.074 -1.421 1.00 0.00 C ATOM 280 O ARG A 19 19.753 -3.062 -1.306 1.00 0.00 O ATOM 281 CB ARG A 19 21.124 -0.691 -1.445 1.00 0.00 C ATOM 282 CG ARG A 19 21.991 -0.172 -2.581 1.00 0.00 C ATOM 283 CD ARG A 19 22.066 1.348 -2.577 1.00 0.00 C ATOM 284 NE ARG A 19 22.816 1.857 -1.429 1.00 0.00 N ATOM 285 CZ ARG A 19 23.991 2.474 -1.514 1.00 0.00 C ATOM 286 NH1 ARG A 19 24.566 2.669 -2.694 1.00 0.00 N ATOM 287 NH2 ARG A 19 24.586 2.894 -0.406 1.00 0.00 N ATOM 0 H ARG A 19 18.428 1.004 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 19 19.493 -0.550 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.288 -0.071 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.444 -1.701 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.995 -0.587 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 19 21.587 -0.515 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.537 1.690 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.057 1.761 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 19 22.411 1.730 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.107 2.345 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.467 3.143 -2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 19 24.142 2.743 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.487 3.368 -0.460 1.00 0.00 H new ATOM 301 N GLY A 20 17.716 -2.131 -1.255 1.00 0.00 N ATOM 302 CA GLY A 20 17.065 -3.405 -1.017 1.00 0.00 C ATOM 303 C GLY A 20 15.894 -3.297 -0.067 1.00 0.00 C ATOM 304 O GLY A 20 14.736 -3.374 -0.487 1.00 0.00 O ATOM 0 H GLY A 20 17.092 -1.324 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.720 -3.814 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.792 -4.109 -0.612 1.00 0.00 H new ATOM 308 N LEU A 21 16.194 -3.134 1.215 1.00 0.00 N ATOM 309 CA LEU A 21 15.169 -3.015 2.237 1.00 0.00 C ATOM 310 C LEU A 21 15.764 -2.405 3.508 1.00 0.00 C ATOM 311 O LEU A 21 16.464 -1.393 3.439 1.00 0.00 O ATOM 312 CB LEU A 21 14.528 -4.387 2.514 1.00 0.00 C ATOM 313 CG LEU A 21 15.501 -5.515 2.878 1.00 0.00 C ATOM 314 CD1 LEU A 21 15.023 -6.257 4.116 1.00 0.00 C ATOM 315 CD2 LEU A 21 15.661 -6.476 1.708 1.00 0.00 C ATOM 0 H LEU A 21 17.148 -3.081 1.571 1.00 0.00 H new ATOM 0 HA LEU A 21 14.383 -2.349 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.811 -4.275 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.965 -4.689 1.631 1.00 0.00 H new ATOM 0 HG LEU A 21 16.473 -5.073 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.727 -7.053 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.959 -5.563 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.040 -6.688 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 21 16.355 -7.271 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.693 -6.910 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.050 -5.936 0.845 1.00 0.00 H new ATOM 327 N GLU A 22 15.516 -3.039 4.656 1.00 0.00 N ATOM 328 CA GLU A 22 15.934 -2.516 5.956 1.00 0.00 C ATOM 329 C GLU A 22 15.326 -1.138 6.190 1.00 0.00 C ATOM 330 O GLU A 22 15.902 -0.290 6.873 1.00 0.00 O ATOM 331 CB GLU A 22 17.457 -2.439 6.056 1.00 0.00 C ATOM 332 CG GLU A 22 17.999 -2.908 7.395 1.00 0.00 C ATOM 333 CD GLU A 22 19.232 -3.776 7.256 1.00 0.00 C ATOM 334 OE1 GLU A 22 20.031 -3.545 6.325 1.00 0.00 O ATOM 335 OE2 GLU A 22 19.412 -4.691 8.086 1.00 0.00 O ATOM 0 H GLU A 22 15.020 -3.929 4.709 1.00 0.00 H new ATOM 0 HA GLU A 22 15.576 -3.201 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.897 -3.044 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.773 -1.410 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.238 -2.040 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.224 -3.466 7.920 1.00 0.00 H new ATOM 342 N ASP A 23 14.151 -0.935 5.612 1.00 0.00 N ATOM 343 CA ASP A 23 13.446 0.335 5.686 1.00 0.00 C ATOM 344 C ASP A 23 13.011 0.648 7.105 1.00 0.00 C ATOM 345 O ASP A 23 12.808 1.812 7.453 1.00 0.00 O ATOM 346 CB ASP A 23 12.201 0.306 4.799 1.00 0.00 C ATOM 347 CG ASP A 23 12.362 -0.543 3.552 1.00 0.00 C ATOM 348 OD1 ASP A 23 12.521 -1.780 3.686 1.00 0.00 O ATOM 349 OD2 ASP A 23 12.312 0.027 2.442 1.00 0.00 O ATOM 0 H ASP A 23 13.658 -1.650 5.077 1.00 0.00 H new ATOM 0 HA ASP A 23 14.138 1.105 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.360 -0.073 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.951 1.325 4.504 1.00 0.00 H new ATOM 354 N ASN A 24 12.868 -0.401 7.913 1.00 0.00 N ATOM 355 CA ASN A 24 12.307 -0.283 9.261 1.00 0.00 C ATOM 356 C ASN A 24 10.944 0.401 9.204 1.00 0.00 C ATOM 357 O ASN A 24 10.571 1.161 10.098 1.00 0.00 O ATOM 358 CB ASN A 24 13.253 0.502 10.178 1.00 0.00 C ATOM 359 CG ASN A 24 14.161 -0.397 10.988 1.00 0.00 C ATOM 360 OD1 ASN A 24 13.808 -1.528 11.323 1.00 0.00 O ATOM 361 ND2 ASN A 24 15.339 0.105 11.308 1.00 0.00 N ATOM 0 H ASN A 24 13.135 -1.351 7.656 1.00 0.00 H new ATOM 0 HA ASN A 24 12.185 -1.286 9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.861 1.176 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.665 1.122 10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.998 -0.449 11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.590 1.047 11.009 1.00 0.00 H new ATOM 368 N ARG A 25 10.204 0.113 8.144 1.00 0.00 N ATOM 369 CA ARG A 25 8.955 0.803 7.864 1.00 0.00 C ATOM 370 C ARG A 25 7.761 -0.082 8.170 1.00 0.00 C ATOM 371 O ARG A 25 7.896 -1.296 8.344 1.00 0.00 O ATOM 372 CB ARG A 25 8.912 1.221 6.394 1.00 0.00 C ATOM 373 CG ARG A 25 9.113 2.710 6.167 1.00 0.00 C ATOM 374 CD ARG A 25 8.461 3.180 4.870 1.00 0.00 C ATOM 375 NE ARG A 25 8.545 2.181 3.801 1.00 0.00 N ATOM 376 CZ ARG A 25 9.653 1.909 3.107 1.00 0.00 C ATOM 377 NH1 ARG A 25 10.773 2.592 3.325 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.637 0.960 2.184 1.00 0.00 N ATOM 0 H ARG A 25 10.450 -0.601 7.458 1.00 0.00 H new ATOM 0 HA ARG A 25 8.906 1.685 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.681 0.674 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.952 0.926 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.694 3.265 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.180 2.932 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.414 3.417 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.941 4.101 4.540 1.00 0.00 H new ATOM 0 HE ARG A 25 7.700 1.658 3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.791 3.331 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.614 2.377 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.779 0.438 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.482 0.751 1.653 1.00 0.00 H new ATOM 392 N HIS A 26 6.594 0.539 8.235 1.00 0.00 N ATOM 393 CA HIS A 26 5.350 -0.191 8.387 1.00 0.00 C ATOM 394 C HIS A 26 4.946 -0.784 7.048 1.00 0.00 C ATOM 395 O HIS A 26 4.975 -0.105 6.019 1.00 0.00 O ATOM 396 CB HIS A 26 4.245 0.732 8.910 1.00 0.00 C ATOM 397 CG HIS A 26 3.132 0.024 9.621 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.079 -1.348 9.705 1.00 0.00 N ATOM 399 CD2 HIS A 26 2.056 0.546 10.253 1.00 0.00 C ATOM 400 CE1 HIS A 26 1.977 -1.626 10.385 1.00 0.00 C ATOM 401 NE2 HIS A 26 1.328 -0.510 10.736 1.00 0.00 N ATOM 0 H HIS A 26 6.485 1.552 8.184 1.00 0.00 H new ATOM 0 HA HIS A 26 5.495 -0.993 9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.688 1.461 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.828 1.290 8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.816 1.594 10.357 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.645 -2.625 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.457 -0.455 11.263 1.00 0.00 H new ATOM 409 N PHE A 27 4.591 -2.051 7.066 1.00 0.00 N ATOM 410 CA PHE A 27 4.177 -2.750 5.863 1.00 0.00 C ATOM 411 C PHE A 27 2.790 -3.331 6.071 1.00 0.00 C ATOM 412 O PHE A 27 2.594 -4.217 6.907 1.00 0.00 O ATOM 413 CB PHE A 27 5.174 -3.856 5.505 1.00 0.00 C ATOM 414 CG PHE A 27 6.328 -3.377 4.671 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.369 -2.666 5.249 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.379 -3.648 3.315 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.436 -2.231 4.488 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.444 -3.219 2.549 1.00 0.00 C ATOM 419 CZ PHE A 27 8.475 -2.511 3.137 1.00 0.00 C ATOM 0 H PHE A 27 4.580 -2.625 7.909 1.00 0.00 H new ATOM 0 HA PHE A 27 4.151 -2.043 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.559 -4.298 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.650 -4.646 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.345 -2.450 6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.576 -4.202 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.238 -1.673 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.472 -3.436 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.311 -2.177 2.540 1.00 0.00 H new ATOM 429 N TYR A 28 1.831 -2.820 5.324 1.00 0.00 N ATOM 430 CA TYR A 28 0.439 -3.209 5.498 1.00 0.00 C ATOM 431 C TYR A 28 0.144 -4.550 4.835 1.00 0.00 C ATOM 432 O TYR A 28 0.759 -4.909 3.832 1.00 0.00 O ATOM 433 CB TYR A 28 -0.483 -2.127 4.939 1.00 0.00 C ATOM 434 CG TYR A 28 -0.378 -0.812 5.679 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.645 -0.736 7.042 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.008 0.353 5.020 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.547 0.462 7.723 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.093 1.555 5.695 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.177 1.603 7.047 1.00 0.00 C ATOM 440 OH TYR A 28 -0.085 2.799 7.723 1.00 0.00 O ATOM 0 H TYR A 28 1.988 -2.132 4.587 1.00 0.00 H new ATOM 0 HA TYR A 28 0.254 -3.321 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.246 -1.964 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.514 -2.479 4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.934 -1.629 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.205 0.319 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.760 0.503 8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.382 2.452 5.167 1.00 0.00 H new ATOM 0 HH TYR A 28 0.189 3.506 7.102 1.00 0.00 H new ATOM 450 N ARG A 29 -0.815 -5.275 5.404 1.00 0.00 N ATOM 451 CA ARG A 29 -1.180 -6.613 4.937 1.00 0.00 C ATOM 452 C ARG A 29 -2.220 -6.547 3.825 1.00 0.00 C ATOM 453 O ARG A 29 -2.774 -7.573 3.430 1.00 0.00 O ATOM 454 CB ARG A 29 -1.755 -7.424 6.097 1.00 0.00 C ATOM 455 CG ARG A 29 -1.098 -8.777 6.290 1.00 0.00 C ATOM 456 CD ARG A 29 -0.093 -8.732 7.425 1.00 0.00 C ATOM 457 NE ARG A 29 -0.738 -8.559 8.728 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.206 -8.960 9.881 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.947 -9.619 9.885 1.00 0.00 N ATOM 460 NH2 ARG A 29 -0.842 -8.730 11.025 1.00 0.00 N ATOM 0 H ARG A 29 -1.362 -4.953 6.202 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.279 -7.088 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.652 -6.847 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.822 -7.570 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.859 -9.529 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.599 -9.079 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.489 -9.653 7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.607 -7.913 7.256 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.650 -8.104 8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.424 -9.817 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.356 -9.927 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.740 -8.245 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.433 -9.038 11.907 1.00 0.00 H new ATOM 474 N ILE A 30 -2.454 -5.340 3.320 1.00 0.00 N ATOM 475 CA ILE A 30 -3.539 -5.067 2.380 1.00 0.00 C ATOM 476 C ILE A 30 -4.900 -5.290 3.041 1.00 0.00 C ATOM 477 O ILE A 30 -5.304 -6.422 3.311 1.00 0.00 O ATOM 478 CB ILE A 30 -3.432 -5.915 1.097 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.108 -5.633 0.386 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.603 -5.633 0.159 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.360 -6.883 -0.016 1.00 0.00 C ATOM 0 H ILE A 30 -1.895 -4.519 3.551 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.446 -4.020 2.091 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.466 -6.967 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.303 -5.034 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.474 -5.035 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.505 -6.243 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.539 -5.876 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.602 -4.579 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.431 -6.607 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.133 -7.473 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.975 -7.472 -0.696 1.00 0.00 H new ATOM 493 N PRO A 31 -5.613 -4.192 3.319 1.00 0.00 N ATOM 494 CA PRO A 31 -6.931 -4.233 3.949 1.00 0.00 C ATOM 495 C PRO A 31 -7.914 -5.085 3.168 1.00 0.00 C ATOM 496 O PRO A 31 -8.130 -4.859 1.982 1.00 0.00 O ATOM 497 CB PRO A 31 -7.396 -2.778 3.926 1.00 0.00 C ATOM 498 CG PRO A 31 -6.163 -1.966 3.768 1.00 0.00 C ATOM 499 CD PRO A 31 -5.182 -2.821 3.025 1.00 0.00 C ATOM 0 HA PRO A 31 -6.879 -4.668 4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.089 -2.601 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.920 -2.520 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.371 -1.048 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.764 -1.673 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.204 -2.616 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.161 -2.642 3.362 1.00 0.00 H new ATOM 507 N LYS A 32 -8.508 -6.062 3.829 1.00 0.00 N ATOM 508 CA LYS A 32 -9.521 -6.890 3.192 1.00 0.00 C ATOM 509 C LYS A 32 -10.905 -6.492 3.685 1.00 0.00 C ATOM 510 O LYS A 32 -11.902 -7.155 3.400 1.00 0.00 O ATOM 511 CB LYS A 32 -9.265 -8.377 3.458 1.00 0.00 C ATOM 512 CG LYS A 32 -8.267 -8.649 4.572 1.00 0.00 C ATOM 513 CD LYS A 32 -8.786 -9.698 5.537 1.00 0.00 C ATOM 514 CE LYS A 32 -7.990 -9.698 6.830 1.00 0.00 C ATOM 515 NZ LYS A 32 -6.926 -10.740 6.830 1.00 0.00 N ATOM 0 H LYS A 32 -8.310 -6.302 4.800 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.468 -6.729 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.211 -8.858 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.904 -8.842 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.322 -8.983 4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.062 -7.725 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.837 -9.508 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.730 -10.682 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.537 -8.717 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.663 -9.867 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.407 -10.706 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.359 -11.679 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.268 -10.564 6.044 1.00 0.00 H new ATOM 529 N ARG A 33 -10.951 -5.389 4.408 1.00 0.00 N ATOM 530 CA ARG A 33 -12.188 -4.890 4.990 1.00 0.00 C ATOM 531 C ARG A 33 -12.116 -3.374 5.157 1.00 0.00 C ATOM 532 O ARG A 33 -11.258 -2.868 5.883 1.00 0.00 O ATOM 533 CB ARG A 33 -12.446 -5.560 6.344 1.00 0.00 C ATOM 534 CG ARG A 33 -13.855 -5.348 6.869 1.00 0.00 C ATOM 535 CD ARG A 33 -13.842 -4.726 8.255 1.00 0.00 C ATOM 536 NE ARG A 33 -14.532 -5.556 9.239 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.551 -5.135 9.989 1.00 0.00 C ATOM 538 NH1 ARG A 33 -16.017 -3.899 9.865 1.00 0.00 N ATOM 539 NH2 ARG A 33 -16.112 -5.960 10.861 1.00 0.00 N ATOM 0 H ARG A 33 -10.134 -4.812 4.610 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.013 -5.131 4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.259 -6.630 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.734 -5.173 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.407 -4.704 6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.380 -6.303 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.811 -4.571 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.314 -3.744 8.215 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.215 -6.518 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.595 -3.260 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.797 -3.588 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.764 -6.914 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.892 -5.641 11.436 1.00 0.00 H new ATOM 553 N PRO A 34 -13.008 -2.627 4.482 1.00 0.00 N ATOM 554 CA PRO A 34 -14.027 -3.196 3.593 1.00 0.00 C ATOM 555 C PRO A 34 -13.446 -3.693 2.268 1.00 0.00 C ATOM 556 O PRO A 34 -12.347 -3.300 1.870 1.00 0.00 O ATOM 557 CB PRO A 34 -14.979 -2.021 3.360 1.00 0.00 C ATOM 558 CG PRO A 34 -14.128 -0.811 3.511 1.00 0.00 C ATOM 559 CD PRO A 34 -13.095 -1.158 4.548 1.00 0.00 C ATOM 0 HA PRO A 34 -14.505 -4.074 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.430 -2.067 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.796 -2.024 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.657 -0.545 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.722 0.047 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.135 -0.690 4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.395 -0.819 5.540 1.00 0.00 H new ATOM 567 N LEU A 35 -14.192 -4.554 1.590 1.00 0.00 N ATOM 568 CA LEU A 35 -13.734 -5.160 0.346 1.00 0.00 C ATOM 569 C LEU A 35 -13.622 -4.126 -0.771 1.00 0.00 C ATOM 570 O LEU A 35 -12.786 -4.259 -1.660 1.00 0.00 O ATOM 571 CB LEU A 35 -14.672 -6.289 -0.079 1.00 0.00 C ATOM 572 CG LEU A 35 -13.967 -7.548 -0.580 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.429 -8.766 0.202 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.212 -7.739 -2.069 1.00 0.00 C ATOM 0 H LEU A 35 -15.123 -4.851 1.882 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.741 -5.572 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.305 -6.556 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.330 -5.920 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.895 -7.429 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.916 -9.653 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.198 -8.629 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.505 -8.891 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.702 -8.641 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.282 -7.836 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.827 -6.877 -2.615 1.00 0.00 H new ATOM 586 N ILE A 36 -14.466 -3.101 -0.728 1.00 0.00 N ATOM 587 CA ILE A 36 -14.406 -2.031 -1.719 1.00 0.00 C ATOM 588 C ILE A 36 -13.078 -1.280 -1.616 1.00 0.00 C ATOM 589 O ILE A 36 -12.459 -0.944 -2.629 1.00 0.00 O ATOM 590 CB ILE A 36 -15.594 -1.049 -1.567 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.881 -1.693 -2.096 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.325 0.261 -2.297 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.708 -2.386 -3.433 1.00 0.00 C ATOM 0 H ILE A 36 -15.195 -2.988 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.476 -2.489 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.714 -0.826 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.242 -2.417 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.649 -0.925 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.177 0.929 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.432 0.731 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.173 0.062 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.659 -2.818 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.377 -1.662 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.964 -3.177 -3.339 1.00 0.00 H new ATOM 605 N LEU A 37 -12.631 -1.044 -0.388 1.00 0.00 N ATOM 606 CA LEU A 37 -11.340 -0.411 -0.154 1.00 0.00 C ATOM 607 C LEU A 37 -10.221 -1.335 -0.624 1.00 0.00 C ATOM 608 O LEU A 37 -9.238 -0.887 -1.212 1.00 0.00 O ATOM 609 CB LEU A 37 -11.180 -0.061 1.329 1.00 0.00 C ATOM 610 CG LEU A 37 -9.743 -0.015 1.837 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.149 1.371 1.658 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.684 -0.432 3.296 1.00 0.00 C ATOM 0 H LEU A 37 -13.144 -1.282 0.461 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.285 0.516 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.642 0.910 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.733 -0.791 1.919 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.152 -0.717 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.124 1.378 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.155 1.636 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.741 2.096 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.652 -0.394 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.293 0.246 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.065 -1.448 3.400 1.00 0.00 H new ATOM 624 N ARG A 38 -10.399 -2.628 -0.384 1.00 0.00 N ATOM 625 CA ARG A 38 -9.458 -3.640 -0.852 1.00 0.00 C ATOM 626 C ARG A 38 -9.360 -3.604 -2.377 1.00 0.00 C ATOM 627 O ARG A 38 -8.266 -3.611 -2.943 1.00 0.00 O ATOM 628 CB ARG A 38 -9.920 -5.024 -0.384 1.00 0.00 C ATOM 629 CG ARG A 38 -9.124 -6.185 -0.960 1.00 0.00 C ATOM 630 CD ARG A 38 -9.651 -7.518 -0.448 1.00 0.00 C ATOM 631 NE ARG A 38 -9.705 -8.537 -1.495 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.772 -9.848 -1.259 1.00 0.00 C ATOM 633 NH1 ARG A 38 -9.771 -10.312 -0.017 1.00 0.00 N ATOM 634 NH2 ARG A 38 -9.846 -10.695 -2.270 1.00 0.00 N ATOM 0 H ARG A 38 -11.192 -3.003 0.136 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.472 -3.432 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.861 -5.064 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.969 -5.152 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.178 -6.163 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.073 -6.078 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.014 -7.869 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.648 -7.375 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.691 -8.226 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.719 -9.664 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.823 -11.317 0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.852 -10.346 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.897 -11.698 -2.092 1.00 0.00 H new ATOM 648 N GLN A 39 -10.517 -3.551 -3.026 1.00 0.00 N ATOM 649 CA GLN A 39 -10.599 -3.482 -4.481 1.00 0.00 C ATOM 650 C GLN A 39 -9.885 -2.239 -5.010 1.00 0.00 C ATOM 651 O GLN A 39 -9.137 -2.306 -5.988 1.00 0.00 O ATOM 652 CB GLN A 39 -12.070 -3.465 -4.908 1.00 0.00 C ATOM 653 CG GLN A 39 -12.300 -3.772 -6.380 1.00 0.00 C ATOM 654 CD GLN A 39 -12.929 -2.610 -7.121 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.239 -1.700 -7.581 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.244 -2.638 -7.252 1.00 0.00 N ATOM 0 H GLN A 39 -11.424 -3.555 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.106 -4.359 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.618 -4.191 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.490 -2.484 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.349 -4.026 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.943 -4.647 -6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.780 -3.410 -6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.723 -1.887 -7.749 1.00 0.00 H new ATOM 665 N ARG A 40 -10.114 -1.111 -4.347 1.00 0.00 N ATOM 666 CA ARG A 40 -9.519 0.163 -4.750 1.00 0.00 C ATOM 667 C ARG A 40 -8.010 0.165 -4.534 1.00 0.00 C ATOM 668 O ARG A 40 -7.273 0.820 -5.268 1.00 0.00 O ATOM 669 CB ARG A 40 -10.147 1.313 -3.964 1.00 0.00 C ATOM 670 CG ARG A 40 -11.417 1.857 -4.588 1.00 0.00 C ATOM 671 CD ARG A 40 -11.187 3.223 -5.217 1.00 0.00 C ATOM 672 NE ARG A 40 -12.421 4.000 -5.310 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.835 4.616 -6.415 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.104 4.580 -7.523 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.980 5.282 -6.404 1.00 0.00 N ATOM 0 H ARG A 40 -10.711 -1.051 -3.522 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.716 0.297 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.367 0.972 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.421 2.121 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.778 1.162 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.195 1.931 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.455 3.775 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.763 3.096 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.002 4.075 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.217 4.077 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.430 5.055 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.539 5.321 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.302 5.756 -7.248 1.00 0.00 H new ATOM 689 N TRP A 41 -7.564 -0.574 -3.529 1.00 0.00 N ATOM 690 CA TRP A 41 -6.149 -0.645 -3.185 1.00 0.00 C ATOM 691 C TRP A 41 -5.323 -1.141 -4.364 1.00 0.00 C ATOM 692 O TRP A 41 -4.265 -0.591 -4.673 1.00 0.00 O ATOM 693 CB TRP A 41 -5.953 -1.562 -1.979 1.00 0.00 C ATOM 694 CG TRP A 41 -5.616 -0.809 -0.736 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.349 0.180 -0.155 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.449 -0.977 0.071 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.702 0.647 0.961 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.536 -0.049 1.122 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.337 -1.820 0.003 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.554 0.058 2.097 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.363 -1.710 0.972 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.477 -0.778 2.009 1.00 0.00 C ATOM 0 H TRP A 41 -8.167 -1.139 -2.931 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.806 0.358 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.863 -2.140 -1.814 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.157 -2.275 -2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.299 0.543 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.036 1.392 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.242 -2.544 -0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.638 0.778 2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.497 -2.354 0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.698 -0.718 2.755 1.00 0.00 H new ATOM 713 N LEU A 42 -5.830 -2.163 -5.038 1.00 0.00 N ATOM 714 CA LEU A 42 -5.116 -2.793 -6.144 1.00 0.00 C ATOM 715 C LEU A 42 -5.005 -1.862 -7.354 1.00 0.00 C ATOM 716 O LEU A 42 -4.141 -2.053 -8.208 1.00 0.00 O ATOM 717 CB LEU A 42 -5.806 -4.100 -6.553 1.00 0.00 C ATOM 718 CG LEU A 42 -6.564 -4.828 -5.435 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.223 -6.088 -5.969 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.633 -5.169 -4.280 1.00 0.00 C ATOM 0 H LEU A 42 -6.740 -2.578 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.107 -3.011 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.506 -3.883 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.053 -4.777 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.340 -4.159 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.756 -6.590 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.927 -5.824 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.460 -6.755 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.194 -5.684 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.831 -5.815 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.206 -4.252 -3.874 1.00 0.00 H new ATOM 732 N THR A 43 -5.861 -0.845 -7.400 1.00 0.00 N ATOM 733 CA THR A 43 -5.891 0.101 -8.510 1.00 0.00 C ATOM 734 C THR A 43 -4.536 0.788 -8.711 1.00 0.00 C ATOM 735 O THR A 43 -4.019 0.857 -9.829 1.00 0.00 O ATOM 736 CB THR A 43 -6.979 1.172 -8.270 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.275 0.554 -8.241 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.954 2.256 -9.342 1.00 0.00 C ATOM 0 H THR A 43 -6.550 -0.654 -6.672 1.00 0.00 H new ATOM 0 HA THR A 43 -6.122 -0.465 -9.412 1.00 0.00 H new ATOM 0 HB THR A 43 -6.771 1.644 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.960 1.238 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.734 2.989 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.982 2.749 -9.338 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.128 1.805 -10.319 1.00 0.00 H new ATOM 746 N ALA A 44 -3.952 1.274 -7.626 1.00 0.00 N ATOM 747 CA ALA A 44 -2.730 2.059 -7.717 1.00 0.00 C ATOM 748 C ALA A 44 -1.503 1.181 -7.936 1.00 0.00 C ATOM 749 O ALA A 44 -0.548 1.592 -8.595 1.00 0.00 O ATOM 750 CB ALA A 44 -2.565 2.909 -6.477 1.00 0.00 C ATOM 0 H ALA A 44 -4.302 1.140 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.817 2.710 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.648 3.492 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.417 3.583 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.512 2.265 -5.599 1.00 0.00 H new ATOM 756 N ILE A 45 -1.536 -0.029 -7.397 1.00 0.00 N ATOM 757 CA ILE A 45 -0.417 -0.954 -7.546 1.00 0.00 C ATOM 758 C ILE A 45 -0.450 -1.624 -8.912 1.00 0.00 C ATOM 759 O ILE A 45 0.571 -2.100 -9.407 1.00 0.00 O ATOM 760 CB ILE A 45 -0.411 -2.059 -6.464 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.548 -1.859 -5.456 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.933 -2.089 -5.755 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.654 -2.968 -4.431 1.00 0.00 C ATOM 0 H ILE A 45 -2.320 -0.394 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 45 0.486 -0.354 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.572 -3.018 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.401 -0.911 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.492 -1.784 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.926 -2.871 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.722 -2.294 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.116 -1.124 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.480 -2.758 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.833 -3.916 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.725 -3.029 -3.864 1.00 0.00 H new ATOM 775 N GLY A 46 -1.633 -1.663 -9.512 1.00 0.00 N ATOM 776 CA GLY A 46 -1.800 -2.330 -10.787 1.00 0.00 C ATOM 777 C GLY A 46 -1.747 -3.834 -10.630 1.00 0.00 C ATOM 778 O GLY A 46 -1.504 -4.570 -11.589 1.00 0.00 O ATOM 0 H GLY A 46 -2.483 -1.242 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.754 -2.041 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.019 -2.006 -11.475 1.00 0.00 H new ATOM 782 N ARG A 47 -1.979 -4.285 -9.405 1.00 0.00 N ATOM 783 CA ARG A 47 -1.924 -5.698 -9.081 1.00 0.00 C ATOM 784 C ARG A 47 -3.297 -6.322 -9.241 1.00 0.00 C ATOM 785 O ARG A 47 -4.310 -5.620 -9.256 1.00 0.00 O ATOM 786 CB ARG A 47 -1.420 -5.897 -7.649 1.00 0.00 C ATOM 787 CG ARG A 47 0.088 -5.764 -7.515 1.00 0.00 C ATOM 788 CD ARG A 47 0.764 -7.123 -7.429 1.00 0.00 C ATOM 789 NE ARG A 47 1.498 -7.453 -8.650 1.00 0.00 N ATOM 790 CZ ARG A 47 2.800 -7.210 -8.841 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.522 -6.604 -7.902 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.382 -7.553 -9.982 1.00 0.00 N ATOM 0 H ARG A 47 -2.209 -3.683 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.231 -6.186 -9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.901 -5.167 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.723 -6.884 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.483 -5.214 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.325 -5.182 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.449 -7.133 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.012 -7.890 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 47 0.982 -7.899 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.084 -6.320 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.514 -6.424 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.837 -8.003 -10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.375 -7.366 -10.124 1.00 0.00 H new ATOM 806 N THR A 48 -3.333 -7.632 -9.370 1.00 0.00 N ATOM 807 CA THR A 48 -4.587 -8.337 -9.517 1.00 0.00 C ATOM 808 C THR A 48 -5.019 -8.965 -8.192 1.00 0.00 C ATOM 809 O THR A 48 -4.278 -8.924 -7.208 1.00 0.00 O ATOM 810 CB THR A 48 -4.487 -9.406 -10.613 1.00 0.00 C ATOM 811 OG1 THR A 48 -3.115 -9.588 -10.989 1.00 0.00 O ATOM 812 CG2 THR A 48 -5.300 -8.998 -11.829 1.00 0.00 C ATOM 0 H THR A 48 -2.507 -8.230 -9.376 1.00 0.00 H new ATOM 0 HA THR A 48 -5.346 -7.613 -9.814 1.00 0.00 H new ATOM 0 HB THR A 48 -4.885 -10.343 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.055 -10.273 -11.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.218 -9.768 -12.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.346 -8.879 -11.545 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.921 -8.054 -12.220 1.00 0.00 H new ATOM 820 N GLU A 49 -6.198 -9.572 -8.184 1.00 0.00 N ATOM 821 CA GLU A 49 -6.850 -9.979 -6.943 1.00 0.00 C ATOM 822 C GLU A 49 -6.178 -11.185 -6.293 1.00 0.00 C ATOM 823 O GLU A 49 -6.006 -11.223 -5.077 1.00 0.00 O ATOM 824 CB GLU A 49 -8.324 -10.281 -7.202 1.00 0.00 C ATOM 825 CG GLU A 49 -9.264 -9.240 -6.624 1.00 0.00 C ATOM 826 CD GLU A 49 -9.907 -9.707 -5.340 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.451 -10.832 -5.320 1.00 0.00 O ATOM 828 OE2 GLU A 49 -9.872 -8.964 -4.340 1.00 0.00 O ATOM 0 H GLU A 49 -6.726 -9.795 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.758 -9.146 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.489 -10.352 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.568 -11.255 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.713 -8.318 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.040 -9.007 -7.354 1.00 0.00 H new ATOM 835 N GLU A 50 -5.800 -12.169 -7.090 1.00 0.00 N ATOM 836 CA GLU A 50 -5.201 -13.380 -6.545 1.00 0.00 C ATOM 837 C GLU A 50 -3.718 -13.163 -6.286 1.00 0.00 C ATOM 838 O GLU A 50 -3.120 -13.816 -5.432 1.00 0.00 O ATOM 839 CB GLU A 50 -5.404 -14.556 -7.500 1.00 0.00 C ATOM 840 CG GLU A 50 -6.862 -14.952 -7.668 1.00 0.00 C ATOM 841 CD GLU A 50 -7.334 -14.834 -9.101 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.502 -14.564 -9.990 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.544 -15.013 -9.353 1.00 0.00 O ATOM 0 H GLU A 50 -5.894 -12.157 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.692 -13.613 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.990 -14.298 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.842 -15.414 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.998 -15.979 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.482 -14.321 -7.032 1.00 0.00 H new ATOM 850 N THR A 51 -3.143 -12.224 -7.011 1.00 0.00 N ATOM 851 CA THR A 51 -1.726 -11.935 -6.914 1.00 0.00 C ATOM 852 C THR A 51 -1.409 -11.039 -5.716 1.00 0.00 C ATOM 853 O THR A 51 -0.280 -11.017 -5.224 1.00 0.00 O ATOM 854 CB THR A 51 -1.243 -11.256 -8.204 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.272 -11.337 -9.199 1.00 0.00 O ATOM 856 CG2 THR A 51 0.018 -11.914 -8.729 1.00 0.00 C ATOM 0 H THR A 51 -3.643 -11.641 -7.682 1.00 0.00 H new ATOM 0 HA THR A 51 -1.205 -12.882 -6.773 1.00 0.00 H new ATOM 0 HB THR A 51 -1.019 -10.213 -7.980 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.403 -10.455 -9.607 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.337 -11.412 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.806 -11.839 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.181 -12.964 -8.942 1.00 0.00 H new ATOM 864 N VAL A 52 -2.411 -10.305 -5.243 1.00 0.00 N ATOM 865 CA VAL A 52 -2.210 -9.352 -4.157 1.00 0.00 C ATOM 866 C VAL A 52 -2.403 -9.994 -2.785 1.00 0.00 C ATOM 867 O VAL A 52 -1.815 -9.562 -1.795 1.00 0.00 O ATOM 868 CB VAL A 52 -3.142 -8.124 -4.316 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.579 -8.467 -3.954 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.646 -6.946 -3.492 1.00 0.00 C ATOM 0 H VAL A 52 -3.368 -10.351 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.175 -9.016 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.122 -7.834 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.206 -7.584 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.939 -9.261 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.623 -8.802 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.320 -6.100 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.616 -7.225 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.645 -6.667 -3.822 1.00 0.00 H new ATOM 880 N VAL A 53 -3.194 -11.046 -2.733 1.00 0.00 N ATOM 881 CA VAL A 53 -3.525 -11.672 -1.459 1.00 0.00 C ATOM 882 C VAL A 53 -2.592 -12.843 -1.155 1.00 0.00 C ATOM 883 O VAL A 53 -2.940 -14.005 -1.381 1.00 0.00 O ATOM 884 CB VAL A 53 -4.992 -12.163 -1.414 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.390 -12.539 0.007 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.939 -11.106 -1.961 1.00 0.00 C ATOM 0 H VAL A 53 -3.619 -11.487 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.395 -10.902 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.066 -13.049 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.425 -12.881 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.740 -13.337 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.290 -11.668 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.963 -11.477 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.856 -10.199 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.677 -10.883 -2.995 1.00 0.00 H new ATOM 896 N SER A 54 -1.397 -12.532 -0.661 1.00 0.00 N ATOM 897 CA SER A 54 -0.446 -13.557 -0.235 1.00 0.00 C ATOM 898 C SER A 54 0.610 -12.957 0.707 1.00 0.00 C ATOM 899 O SER A 54 0.287 -12.531 1.819 1.00 0.00 O ATOM 900 CB SER A 54 0.220 -14.214 -1.451 1.00 0.00 C ATOM 901 OG SER A 54 -0.147 -13.562 -2.658 1.00 0.00 O ATOM 0 H SER A 54 -1.062 -11.575 -0.545 1.00 0.00 H new ATOM 0 HA SER A 54 -0.992 -14.326 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.303 -14.184 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.067 -15.264 -1.501 1.00 0.00 H new ATOM 0 HG SER A 54 0.294 -14.002 -3.415 1.00 0.00 H new ATOM 907 N GLN A 55 1.863 -12.914 0.259 1.00 0.00 N ATOM 908 CA GLN A 55 2.950 -12.346 1.054 1.00 0.00 C ATOM 909 C GLN A 55 3.204 -10.898 0.643 1.00 0.00 C ATOM 910 O GLN A 55 4.182 -10.279 1.063 1.00 0.00 O ATOM 911 CB GLN A 55 4.230 -13.172 0.882 1.00 0.00 C ATOM 912 CG GLN A 55 5.191 -13.070 2.055 1.00 0.00 C ATOM 913 CD GLN A 55 4.743 -13.884 3.250 1.00 0.00 C ATOM 914 OE1 GLN A 55 4.179 -13.351 4.207 1.00 0.00 O ATOM 915 NE2 GLN A 55 4.991 -15.184 3.204 1.00 0.00 N ATOM 0 H GLN A 55 2.151 -13.267 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 55 2.658 -12.370 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.959 -14.218 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.742 -12.847 -0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.179 -13.407 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.290 -12.025 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.461 -15.585 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.712 -15.784 3.980 1.00 0.00 H new ATOM 924 N LEU A 56 2.318 -10.376 -0.191 1.00 0.00 N ATOM 925 CA LEU A 56 2.406 -9.001 -0.653 1.00 0.00 C ATOM 926 C LEU A 56 2.120 -8.033 0.489 1.00 0.00 C ATOM 927 O LEU A 56 1.171 -8.223 1.250 1.00 0.00 O ATOM 928 CB LEU A 56 1.414 -8.766 -1.793 1.00 0.00 C ATOM 929 CG LEU A 56 1.881 -7.795 -2.872 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.104 -8.525 -4.186 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.869 -6.674 -3.045 1.00 0.00 C ATOM 0 H LEU A 56 1.521 -10.892 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 56 3.418 -8.823 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.190 -9.724 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.481 -8.393 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 56 2.830 -7.358 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.437 -7.816 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.864 -9.295 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.171 -8.989 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.215 -5.988 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.093 -7.094 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.759 -6.135 -2.104 1.00 0.00 H new ATOM 943 N ARG A 57 2.962 -7.021 0.628 1.00 0.00 N ATOM 944 CA ARG A 57 2.772 -5.989 1.638 1.00 0.00 C ATOM 945 C ARG A 57 3.003 -4.625 1.007 1.00 0.00 C ATOM 946 O ARG A 57 3.647 -4.527 -0.032 1.00 0.00 O ATOM 947 CB ARG A 57 3.734 -6.190 2.814 1.00 0.00 C ATOM 948 CG ARG A 57 3.873 -7.639 3.247 1.00 0.00 C ATOM 949 CD ARG A 57 3.515 -7.842 4.711 1.00 0.00 C ATOM 950 NE ARG A 57 4.433 -8.779 5.357 1.00 0.00 N ATOM 951 CZ ARG A 57 4.395 -10.103 5.193 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.394 -10.676 4.530 1.00 0.00 N ATOM 953 NH2 ARG A 57 5.351 -10.862 5.723 1.00 0.00 N ATOM 0 H ARG A 57 3.791 -6.891 0.049 1.00 0.00 H new ATOM 0 HA ARG A 57 1.753 -6.053 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.716 -5.806 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.387 -5.598 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.229 -8.264 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.898 -7.970 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.544 -6.884 5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.494 -8.217 4.790 1.00 0.00 H new ATOM 0 HE ARG A 57 5.149 -8.396 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.646 -10.102 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.375 -11.689 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.109 -10.432 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.326 -11.874 5.600 1.00 0.00 H new ATOM 967 N ILE A 58 2.472 -3.579 1.617 1.00 0.00 N ATOM 968 CA ILE A 58 2.620 -2.235 1.071 1.00 0.00 C ATOM 969 C ILE A 58 3.136 -1.275 2.135 1.00 0.00 C ATOM 970 O ILE A 58 2.599 -1.222 3.244 1.00 0.00 O ATOM 971 CB ILE A 58 1.286 -1.697 0.501 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.686 -2.683 -0.513 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.494 -0.333 -0.139 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.497 -2.834 -1.785 1.00 0.00 C ATOM 0 H ILE A 58 1.938 -3.630 2.484 1.00 0.00 H new ATOM 0 HA ILE A 58 3.342 -2.300 0.257 1.00 0.00 H new ATOM 0 HB ILE A 58 0.582 -1.590 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.588 -3.660 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.320 -2.353 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.546 0.031 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.868 0.367 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.217 -0.418 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.006 -3.547 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.574 -1.868 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.495 -3.196 -1.539 1.00 0.00 H new ATOM 986 N CYS A 59 4.187 -0.535 1.795 1.00 0.00 N ATOM 987 CA CYS A 59 4.776 0.436 2.701 1.00 0.00 C ATOM 988 C CYS A 59 3.800 1.552 3.066 1.00 0.00 C ATOM 989 O CYS A 59 2.953 1.946 2.263 1.00 0.00 O ATOM 990 CB CYS A 59 6.022 1.055 2.068 1.00 0.00 C ATOM 991 SG CYS A 59 7.096 -0.130 1.197 1.00 0.00 S ATOM 0 H CYS A 59 4.650 -0.593 0.888 1.00 0.00 H new ATOM 0 HA CYS A 59 5.038 -0.098 3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.711 1.828 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.603 1.548 2.847 1.00 0.00 H new ATOM 996 N SER A 60 3.956 2.072 4.276 1.00 0.00 N ATOM 997 CA SER A 60 3.187 3.218 4.739 1.00 0.00 C ATOM 998 C SER A 60 3.616 4.481 3.997 1.00 0.00 C ATOM 999 O SER A 60 2.896 5.476 3.971 1.00 0.00 O ATOM 1000 CB SER A 60 3.408 3.400 6.238 1.00 0.00 C ATOM 1001 OG SER A 60 4.669 2.876 6.621 1.00 0.00 O ATOM 0 H SER A 60 4.618 1.712 4.963 1.00 0.00 H new ATOM 0 HA SER A 60 2.130 3.041 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.354 4.458 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.615 2.898 6.792 1.00 0.00 H new ATOM 0 HG SER A 60 4.867 3.141 7.544 1.00 0.00 H new ATOM 1007 N ALA A 61 4.793 4.422 3.380 1.00 0.00 N ATOM 1008 CA ALA A 61 5.352 5.561 2.664 1.00 0.00 C ATOM 1009 C ALA A 61 4.557 5.856 1.399 1.00 0.00 C ATOM 1010 O ALA A 61 4.734 6.896 0.769 1.00 0.00 O ATOM 1011 CB ALA A 61 6.813 5.306 2.320 1.00 0.00 C ATOM 0 H ALA A 61 5.381 3.589 3.363 1.00 0.00 H new ATOM 0 HA ALA A 61 5.290 6.432 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.216 6.166 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.381 5.150 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.889 4.419 1.691 1.00 0.00 H new ATOM 1017 N HIS A 62 3.670 4.937 1.043 1.00 0.00 N ATOM 1018 CA HIS A 62 2.840 5.086 -0.143 1.00 0.00 C ATOM 1019 C HIS A 62 1.561 5.857 0.191 1.00 0.00 C ATOM 1020 O HIS A 62 0.611 5.873 -0.590 1.00 0.00 O ATOM 1021 CB HIS A 62 2.494 3.708 -0.720 1.00 0.00 C ATOM 1022 CG HIS A 62 3.687 2.940 -1.219 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.304 3.176 -2.435 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.389 1.929 -0.632 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.336 2.317 -2.546 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.420 1.552 -1.482 1.00 0.00 N ATOM 0 H HIS A 62 3.507 4.075 1.563 1.00 0.00 H new ATOM 0 HA HIS A 62 3.398 5.651 -0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.990 3.120 0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.787 3.835 -1.540 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.027 3.875 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.178 1.494 0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.003 2.265 -3.394 1.00 0.00 H new ATOM 1034 N PHE A 63 1.545 6.490 1.360 1.00 0.00 N ATOM 1035 CA PHE A 63 0.383 7.242 1.820 1.00 0.00 C ATOM 1036 C PHE A 63 0.792 8.637 2.269 1.00 0.00 C ATOM 1037 O PHE A 63 1.942 8.859 2.659 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.300 6.519 2.986 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.760 5.133 2.656 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.105 4.059 2.770 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -2.055 4.906 2.230 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.314 2.783 2.463 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.480 3.633 1.923 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.608 2.570 2.039 1.00 0.00 C ATOM 0 H PHE A 63 2.331 6.496 2.010 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.315 7.321 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.393 6.471 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.157 7.107 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.119 4.223 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.740 5.735 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.370 1.952 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.494 3.467 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.939 1.571 1.798 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.152 9.569 2.211 1.00 0.00 N ATOM 1055 CA GLU A 64 0.061 10.923 2.707 1.00 0.00 C ATOM 1056 C GLU A 64 0.218 10.909 4.224 1.00 0.00 C ATOM 1057 O GLU A 64 -0.742 10.675 4.957 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.114 11.823 2.312 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.688 13.143 1.689 1.00 0.00 C ATOM 1060 CD GLU A 64 -1.647 14.279 1.996 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.522 14.114 2.870 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -1.524 15.348 1.357 1.00 0.00 O ATOM 0 H GLU A 64 -1.081 9.409 1.821 1.00 0.00 H new ATOM 0 HA GLU A 64 0.974 11.318 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.750 11.287 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.718 12.026 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.306 13.406 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.612 13.021 0.609 1.00 0.00 H new ATOM 1069 N GLY A 65 1.440 11.135 4.688 1.00 0.00 N ATOM 1070 CA GLY A 65 1.719 11.090 6.112 1.00 0.00 C ATOM 1071 C GLY A 65 2.116 9.699 6.569 1.00 0.00 C ATOM 1072 O GLY A 65 2.783 9.537 7.592 1.00 0.00 O ATOM 0 H GLY A 65 2.247 11.350 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.520 11.791 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.838 11.416 6.665 1.00 0.00 H new ATOM 1076 N GLY A 66 1.715 8.698 5.799 1.00 0.00 N ATOM 1077 CA GLY A 66 2.029 7.326 6.138 1.00 0.00 C ATOM 1078 C GLY A 66 1.025 6.730 7.102 1.00 0.00 C ATOM 1079 O GLY A 66 1.352 6.454 8.256 1.00 0.00 O ATOM 0 H GLY A 66 1.175 8.813 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.057 6.726 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.025 7.282 6.580 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.198 6.535 6.629 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.264 6.004 7.463 1.00 0.00 C ATOM 1085 C GLU A 67 -2.378 5.411 6.613 1.00 0.00 C ATOM 1086 O GLU A 67 -3.006 6.115 5.824 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.833 7.109 8.350 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.051 6.688 9.790 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.641 7.797 10.628 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -3.835 8.112 10.449 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -1.909 8.367 11.464 1.00 0.00 O ATOM 0 H GLU A 67 -0.476 6.738 5.669 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.844 5.214 8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.156 7.963 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.782 7.445 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.714 5.823 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.101 6.375 10.223 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.608 4.118 6.769 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.719 3.455 6.104 1.00 0.00 C ATOM 1100 C LYS A 68 -4.890 3.307 7.067 1.00 0.00 C ATOM 1101 O LYS A 68 -4.755 2.706 8.132 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.290 2.077 5.583 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.429 1.070 5.469 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.102 -0.229 6.196 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.703 -0.265 7.595 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.190 -0.295 7.567 1.00 0.00 N ATOM 0 H LYS A 68 -2.039 3.504 7.352 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.030 4.065 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.828 2.199 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.526 1.672 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.340 1.501 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.626 0.860 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.478 -1.073 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.020 -0.345 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.333 -1.143 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.369 0.609 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.551 -0.506 8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.550 0.630 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.510 -1.031 6.905 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.027 3.876 6.707 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.242 3.700 7.481 1.00 0.00 C ATOM 1122 C LYS A 69 -8.199 2.783 6.728 1.00 0.00 C ATOM 1123 O LYS A 69 -7.888 1.612 6.493 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.897 5.056 7.769 1.00 0.00 C ATOM 1125 CG LYS A 69 -7.278 5.792 8.945 1.00 0.00 C ATOM 1126 CD LYS A 69 -6.006 6.526 8.544 1.00 0.00 C ATOM 1127 CE LYS A 69 -6.312 7.880 7.927 1.00 0.00 C ATOM 1128 NZ LYS A 69 -5.358 8.924 8.380 1.00 0.00 N ATOM 0 H LYS A 69 -6.134 4.465 5.881 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.994 3.240 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.823 5.682 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.958 4.903 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.998 6.505 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.053 5.082 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.371 6.660 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.444 5.920 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.274 7.801 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.327 8.177 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.866 9.640 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.619 8.488 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.920 9.377 7.552 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.349 3.314 6.341 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.325 2.548 5.579 1.00 0.00 C ATOM 1144 C GLU A 70 -10.701 3.281 4.294 1.00 0.00 C ATOM 1145 O GLU A 70 -11.753 3.028 3.705 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.574 2.284 6.426 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.638 0.876 6.996 1.00 0.00 C ATOM 1148 CD GLU A 70 -12.772 0.694 7.985 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -13.888 0.332 7.565 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -12.546 0.908 9.196 1.00 0.00 O ATOM 0 H GLU A 70 -9.630 4.274 6.542 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.876 1.592 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.604 3.001 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.460 2.460 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.756 0.163 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.693 0.644 7.487 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.829 4.181 3.855 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.107 4.948 2.653 1.00 0.00 C ATOM 1159 C GLY A 71 -8.865 5.253 1.832 1.00 0.00 C ATOM 1160 O GLY A 71 -8.950 5.439 0.619 1.00 0.00 O ATOM 0 H GLY A 71 -8.939 4.393 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.816 4.397 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.589 5.885 2.932 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.716 5.311 2.488 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.462 5.655 1.825 1.00 0.00 C ATOM 1166 C ASP A 72 -5.961 4.507 0.957 1.00 0.00 C ATOM 1167 O ASP A 72 -5.795 3.383 1.434 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.376 6.020 2.850 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.935 6.532 4.162 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.609 5.752 4.873 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.713 7.720 4.485 1.00 0.00 O ATOM 0 H ASP A 72 -7.624 5.123 3.486 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.664 6.519 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.760 5.142 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.722 6.779 2.421 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.750 4.799 -0.321 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.157 3.849 -1.259 1.00 0.00 C ATOM 1178 C ILE A 73 -3.669 4.163 -1.443 1.00 0.00 C ATOM 1179 O ILE A 73 -3.286 5.327 -1.536 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.888 3.905 -2.625 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.312 3.382 -2.475 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.151 3.110 -3.691 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.364 4.402 -2.825 1.00 0.00 C ATOM 0 H ILE A 73 -5.984 5.700 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.263 2.843 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.914 4.946 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.439 2.507 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.464 3.052 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.695 3.174 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.149 3.518 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.080 2.067 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.353 3.963 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.263 5.268 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.238 4.714 -3.862 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.811 3.130 -1.487 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.362 3.312 -1.607 1.00 0.00 C ATOM 1197 C PRO A 74 -0.963 3.827 -2.986 1.00 0.00 C ATOM 1198 O PRO A 74 -1.073 3.111 -3.976 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.809 1.904 -1.390 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.910 1.000 -1.813 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.183 1.708 -1.453 1.00 0.00 C ATOM 0 HA PRO A 74 -0.982 4.049 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.091 1.736 -1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.540 1.740 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.863 0.801 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.842 0.037 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.980 1.485 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.542 1.411 -0.467 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.489 5.058 -3.049 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.141 5.666 -4.323 1.00 0.00 C ATOM 1211 C VAL A 75 1.348 5.505 -4.605 1.00 0.00 C ATOM 1212 O VAL A 75 2.143 5.271 -3.691 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.530 7.164 -4.373 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -2.026 7.312 -4.610 1.00 0.00 C ATOM 1215 CG2 VAL A 75 -0.115 7.883 -3.097 1.00 0.00 C ATOM 0 H VAL A 75 -0.336 5.656 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.710 5.147 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 75 0.004 7.626 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.286 8.370 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.292 6.843 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.572 6.829 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.401 8.933 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.611 7.423 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.965 7.808 -2.972 1.00 0.00 H new ATOM 1225 N PRO A 76 1.747 5.618 -5.881 1.00 0.00 N ATOM 1226 CA PRO A 76 3.141 5.427 -6.290 1.00 0.00 C ATOM 1227 C PRO A 76 4.041 6.541 -5.777 1.00 0.00 C ATOM 1228 O PRO A 76 5.260 6.381 -5.677 1.00 0.00 O ATOM 1229 CB PRO A 76 3.072 5.446 -7.819 1.00 0.00 C ATOM 1230 CG PRO A 76 1.847 6.230 -8.134 1.00 0.00 C ATOM 1231 CD PRO A 76 0.874 5.950 -7.025 1.00 0.00 C ATOM 0 HA PRO A 76 3.566 4.507 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.960 5.909 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.011 4.436 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.071 7.295 -8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.433 5.935 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.246 6.815 -6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.207 5.125 -7.274 1.00 0.00 H new ATOM 1239 N ASP A 77 3.424 7.665 -5.443 1.00 0.00 N ATOM 1240 CA ASP A 77 4.144 8.830 -4.963 1.00 0.00 C ATOM 1241 C ASP A 77 3.173 9.838 -4.386 1.00 0.00 C ATOM 1242 O ASP A 77 2.489 10.532 -5.131 1.00 0.00 O ATOM 1243 CB ASP A 77 4.925 9.478 -6.102 1.00 0.00 C ATOM 1244 CG ASP A 77 6.405 9.541 -5.815 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.782 9.604 -4.632 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.201 9.487 -6.773 1.00 0.00 O ATOM 0 H ASP A 77 2.413 7.793 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 77 4.840 8.510 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.758 8.915 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.546 10.486 -6.272 1.00 0.00 H new ATOM 1251 N PRO A 78 3.088 9.937 -3.057 1.00 0.00 N ATOM 1252 CA PRO A 78 2.193 10.894 -2.402 1.00 0.00 C ATOM 1253 C PRO A 78 2.656 12.336 -2.602 1.00 0.00 C ATOM 1254 O PRO A 78 1.925 13.284 -2.315 1.00 0.00 O ATOM 1255 CB PRO A 78 2.267 10.501 -0.924 1.00 0.00 C ATOM 1256 CG PRO A 78 3.580 9.809 -0.774 1.00 0.00 C ATOM 1257 CD PRO A 78 3.850 9.127 -2.088 1.00 0.00 C ATOM 0 HA PRO A 78 1.182 10.858 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.207 11.378 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.441 9.845 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.370 10.521 -0.536 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.547 9.085 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.914 9.115 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.514 8.090 -2.079 1.00 0.00 H new ATOM 1265 N THR A 79 3.876 12.489 -3.098 1.00 0.00 N ATOM 1266 CA THR A 79 4.456 13.799 -3.340 1.00 0.00 C ATOM 1267 C THR A 79 4.433 14.160 -4.827 1.00 0.00 C ATOM 1268 O THR A 79 4.725 15.297 -5.205 1.00 0.00 O ATOM 1269 CB THR A 79 5.905 13.827 -2.831 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.254 12.530 -2.325 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.072 14.865 -1.735 1.00 0.00 C ATOM 0 H THR A 79 4.488 11.711 -3.343 1.00 0.00 H new ATOM 0 HA THR A 79 3.856 14.533 -2.803 1.00 0.00 H new ATOM 0 HB THR A 79 6.563 14.093 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.179 12.543 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.106 14.867 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.818 15.850 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.412 14.624 -0.902 1.00 0.00 H new ATOM 1279 N VAL A 80 4.079 13.194 -5.666 1.00 0.00 N ATOM 1280 CA VAL A 80 4.082 13.402 -7.110 1.00 0.00 C ATOM 1281 C VAL A 80 2.717 13.094 -7.709 1.00 0.00 C ATOM 1282 O VAL A 80 2.126 13.926 -8.398 1.00 0.00 O ATOM 1283 CB VAL A 80 5.151 12.535 -7.809 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.115 12.733 -9.317 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.536 12.848 -7.265 1.00 0.00 C ATOM 0 H VAL A 80 3.787 12.262 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 80 4.321 14.452 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 80 4.924 11.490 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.878 12.111 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.133 12.451 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.308 13.780 -9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.275 12.226 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.766 13.899 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.561 12.643 -6.195 1.00 0.00 H new ATOM 1295 N ASP A 81 2.213 11.900 -7.432 1.00 0.00 N ATOM 1296 CA ASP A 81 0.931 11.472 -7.969 1.00 0.00 C ATOM 1297 C ASP A 81 -0.209 11.964 -7.086 1.00 0.00 C ATOM 1298 O ASP A 81 0.011 12.564 -6.031 1.00 0.00 O ATOM 1299 CB ASP A 81 0.875 9.942 -8.102 1.00 0.00 C ATOM 1300 CG ASP A 81 0.025 9.488 -9.281 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.951 10.188 -9.629 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.322 8.427 -9.864 1.00 0.00 O ATOM 0 H ASP A 81 2.673 11.210 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 81 0.819 11.908 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.887 9.554 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.473 9.515 -7.183 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.427 11.701 -7.520 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.610 12.129 -6.804 1.00 0.00 C ATOM 1309 C LYS A 82 -3.087 11.021 -5.880 1.00 0.00 C ATOM 1310 O LYS A 82 -3.718 10.063 -6.328 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.717 12.503 -7.789 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.303 13.550 -8.812 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.002 12.928 -10.166 1.00 0.00 C ATOM 1314 CE LYS A 82 -1.620 13.320 -10.664 1.00 0.00 C ATOM 1315 NZ LYS A 82 -0.985 12.238 -11.460 1.00 0.00 N ATOM 0 H LYS A 82 -1.622 11.185 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.361 13.006 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.042 11.605 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.576 12.874 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.098 14.288 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.422 14.081 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.069 11.843 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.754 13.245 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.697 14.220 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.984 13.564 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.136 12.608 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.718 11.455 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.657 11.893 -12.175 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.732 11.147 -4.603 1.00 0.00 N ATOM 1330 CA GLN A 83 -3.168 10.223 -3.558 1.00 0.00 C ATOM 1331 C GLN A 83 -4.642 9.857 -3.720 1.00 0.00 C ATOM 1332 O GLN A 83 -5.529 10.699 -3.557 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.923 10.849 -2.176 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.728 10.216 -1.048 1.00 0.00 C ATOM 1335 CD GLN A 83 -3.055 8.992 -0.457 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.947 9.073 0.072 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.720 7.852 -0.545 1.00 0.00 N ATOM 0 H GLN A 83 -2.131 11.897 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.586 9.306 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.862 10.771 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.161 11.912 -2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.884 10.954 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.713 9.937 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.637 7.829 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.316 6.995 -0.166 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.896 8.599 -4.063 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.255 8.120 -4.212 1.00 0.00 C ATOM 1348 C ILE A 84 -6.846 7.822 -2.841 1.00 0.00 C ATOM 1349 O ILE A 84 -6.233 7.126 -2.029 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.346 6.846 -5.089 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.512 6.989 -6.363 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.792 6.560 -5.456 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.533 5.860 -6.573 1.00 0.00 C ATOM 0 H ILE A 84 -4.177 7.898 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.818 8.908 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.948 6.014 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.181 7.043 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.965 7.931 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.840 5.662 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.375 6.408 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.200 7.404 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.976 6.028 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.840 5.819 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.075 4.917 -6.643 1.00 0.00 H new ATOM 1365 N LYS A 85 -8.012 8.380 -2.571 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.676 8.167 -1.297 1.00 0.00 C ATOM 1367 C LYS A 85 -10.172 7.973 -1.496 1.00 0.00 C ATOM 1368 O LYS A 85 -10.819 8.734 -2.223 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.419 9.341 -0.347 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.153 10.661 -1.055 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.552 11.844 -0.191 1.00 0.00 C ATOM 1372 CE LYS A 85 -7.368 12.391 0.586 1.00 0.00 C ATOM 1373 NZ LYS A 85 -7.708 13.651 1.294 1.00 0.00 N ATOM 0 H LYS A 85 -8.519 8.985 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.263 7.262 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.281 9.460 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.566 9.102 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.095 10.733 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.707 10.690 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.970 12.630 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.335 11.541 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.032 11.647 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.537 12.570 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.874 13.993 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.004 14.369 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.484 13.474 1.963 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.704 6.942 -0.864 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.128 6.659 -0.909 1.00 0.00 C ATOM 1389 C ILE A 86 -12.868 7.541 0.086 1.00 0.00 C ATOM 1390 O ILE A 86 -12.421 7.715 1.223 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.408 5.177 -0.574 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.629 4.263 -1.516 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.896 4.869 -0.639 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.947 3.117 -0.806 1.00 0.00 C ATOM 0 H ILE A 86 -10.164 6.280 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.479 6.866 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.074 4.993 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.309 3.863 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.879 4.851 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.061 3.819 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.429 5.494 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.266 5.074 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.411 2.506 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.243 3.511 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.694 2.506 -0.299 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.985 8.110 -0.341 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.813 8.898 0.551 1.00 0.00 C ATOM 1408 C GLU A 87 -15.522 7.968 1.522 1.00 0.00 C ATOM 1409 O GLU A 87 -16.534 7.353 1.182 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.836 9.715 -0.237 1.00 0.00 C ATOM 1411 CG GLU A 87 -16.611 10.708 0.615 1.00 0.00 C ATOM 1412 CD GLU A 87 -15.717 11.727 1.292 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -14.967 12.429 0.581 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -15.765 11.835 2.536 1.00 0.00 O ATOM 0 H GLU A 87 -14.336 8.040 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.180 9.593 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.322 10.255 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.539 9.035 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.337 11.227 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.175 10.166 1.374 1.00 0.00 H new ATOM 1421 N LEU A 88 -14.983 7.859 2.722 1.00 0.00 N ATOM 1422 CA LEU A 88 -15.528 6.958 3.714 1.00 0.00 C ATOM 1423 C LEU A 88 -16.095 7.731 4.893 1.00 0.00 C ATOM 1424 O LEU A 88 -15.362 8.425 5.606 1.00 0.00 O ATOM 1425 CB LEU A 88 -14.454 5.982 4.195 1.00 0.00 C ATOM 1426 CG LEU A 88 -14.937 4.960 5.221 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -15.012 3.571 4.602 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -14.028 4.958 6.441 1.00 0.00 C ATOM 0 H LEU A 88 -14.166 8.386 3.032 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.337 6.393 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.053 5.450 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.632 6.552 4.628 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.939 5.243 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.358 2.858 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.708 3.584 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.024 3.276 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.388 4.224 7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.013 4.702 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.031 5.947 6.899 1.00 0.00 H new ATOM 1440 N PRO A 89 -17.413 7.653 5.087 1.00 0.00 N ATOM 1441 CA PRO A 89 -18.077 8.224 6.252 1.00 0.00 C ATOM 1442 C PRO A 89 -17.777 7.407 7.501 1.00 0.00 C ATOM 1443 O PRO A 89 -17.419 6.229 7.398 1.00 0.00 O ATOM 1444 CB PRO A 89 -19.573 8.140 5.904 1.00 0.00 C ATOM 1445 CG PRO A 89 -19.635 7.758 4.462 1.00 0.00 C ATOM 1446 CD PRO A 89 -18.371 7.007 4.181 1.00 0.00 C ATOM 0 HA PRO A 89 -17.746 9.241 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.078 7.401 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.069 9.095 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.510 7.140 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -19.714 8.641 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -18.475 5.943 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.068 7.097 3.138 1.00 0.00 H new ATOM 1454 N PRO A 90 -17.895 8.015 8.694 1.00 0.00 N ATOM 1455 CA PRO A 90 -17.714 7.305 9.961 1.00 0.00 C ATOM 1456 C PRO A 90 -18.538 6.023 10.010 1.00 0.00 C ATOM 1457 O PRO A 90 -18.056 4.983 10.456 1.00 0.00 O ATOM 1458 CB PRO A 90 -18.206 8.310 11.003 1.00 0.00 C ATOM 1459 CG PRO A 90 -17.971 9.638 10.376 1.00 0.00 C ATOM 1460 CD PRO A 90 -18.197 9.445 8.901 1.00 0.00 C ATOM 0 HA PRO A 90 -16.683 6.990 10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -19.261 8.160 11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.659 8.211 11.940 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -18.652 10.387 10.781 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.958 9.989 10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -19.222 9.685 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.543 10.084 8.307 1.00 0.00 H new ATOM 1468 N LYS A 91 -19.774 6.112 9.531 1.00 0.00 N ATOM 1469 CA LYS A 91 -20.650 4.957 9.392 1.00 0.00 C ATOM 1470 C LYS A 91 -21.944 5.382 8.722 1.00 0.00 C ATOM 1471 O LYS A 91 -22.645 4.519 8.162 1.00 0.00 O ATOM 1472 CB LYS A 91 -20.952 4.320 10.752 1.00 0.00 C ATOM 1473 CG LYS A 91 -20.910 2.801 10.725 1.00 0.00 C ATOM 1474 CD LYS A 91 -19.616 2.271 11.321 1.00 0.00 C ATOM 1475 CE LYS A 91 -18.763 1.571 10.277 1.00 0.00 C ATOM 1476 NZ LYS A 91 -17.442 2.228 10.105 1.00 0.00 N ATOM 1477 OXT LYS A 91 -22.254 6.594 8.766 1.00 0.00 O ATOM 0 H LYS A 91 -20.196 6.990 9.228 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.143 4.213 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.231 4.684 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.938 4.644 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.759 2.402 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.009 2.451 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.052 3.095 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.845 1.577 12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.615 0.531 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.291 1.564 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.067 2.011 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.550 3.257 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.783 1.876 10.828 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 6.775 0.084 -1.096 1.00 0.00 ZN