USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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 50 LYS NZ :NH3+ 154:sc= -0.0731 (180deg=0) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -132:sc= -1.69 (180deg=-4.64!) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -8.04! C(o=-8.9!,f=-8.6!) USER MOD Set 2.2: A 36 MET CE :methyl -128:sc= -0.838 (180deg=-0.107) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 139:sc= -0.904 (180deg=-5!) USER MOD Set 3.2: A 82 HIS : no HE2:sc= -0.448 K(o=-1.4,f=-3.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 149:sc= -0.227 (180deg=-0.968) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= -0.13 (180deg=-0.242) USER MOD Single : A 7 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.14) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0494 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.592 (180deg=0.579) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0162 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.2! C(o=-3.2!,f=-9.8!) USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.341 (180deg=-1.61!) USER MOD Single : A 46 SER OG : rot 10:sc= 0.445 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= -0.0703 (180deg=-0.345) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0.12 (180deg=0.097) USER MOD Single : A 60 TYR OH : rot -109:sc= 0.799! USER MOD Single : A 62 GLN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.566 K(o=-0.57,f=-5.8!) USER MOD Single : A 88 ASN : amide:sc= -2.62 K(o=-2.6,f=-12!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.995 -0.819 -12.672 1.00 0.00 N ATOM 2 CA MET A 1 -5.056 0.358 -11.767 1.00 0.00 C ATOM 3 C MET A 1 -5.601 1.584 -12.493 1.00 0.00 C ATOM 4 O MET A 1 -4.856 2.311 -13.149 1.00 0.00 O ATOM 5 CB MET A 1 -3.646 0.637 -11.237 1.00 0.00 C ATOM 6 CG MET A 1 -3.504 0.405 -9.741 1.00 0.00 C ATOM 7 SD MET A 1 -2.747 -1.185 -9.351 1.00 0.00 S ATOM 8 CE MET A 1 -1.402 -0.669 -8.288 1.00 0.00 C ATOM 0 H1 MET A 1 -4.621 -1.638 -12.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.950 -1.038 -13.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.372 -0.606 -13.477 1.00 0.00 H new ATOM 0 HA MET A 1 -5.732 0.141 -10.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.936 0.001 -11.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.379 1.669 -11.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.902 1.205 -9.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.488 0.459 -9.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.839 -1.544 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.743 0.004 -8.836 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.805 -0.153 -7.416 1.00 0.00 H new ATOM 20 N LYS A 2 -6.905 1.807 -12.370 1.00 0.00 N ATOM 21 CA LYS A 2 -7.551 2.945 -13.014 1.00 0.00 C ATOM 22 C LYS A 2 -7.581 4.154 -12.082 1.00 0.00 C ATOM 23 O LYS A 2 -8.627 4.767 -11.874 1.00 0.00 O ATOM 24 CB LYS A 2 -8.974 2.577 -13.441 1.00 0.00 C ATOM 25 CG LYS A 2 -9.857 2.126 -12.288 1.00 0.00 C ATOM 26 CD LYS A 2 -10.600 0.843 -12.622 1.00 0.00 C ATOM 27 CE LYS A 2 -12.023 0.868 -12.088 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.802 2.014 -12.634 1.00 0.00 N ATOM 0 H LYS A 2 -7.536 1.214 -11.830 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.971 3.207 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.434 3.439 -13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.927 1.782 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.245 1.972 -11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.574 2.911 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.618 0.703 -13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.066 -0.008 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.523 -0.066 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.001 0.930 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.805 1.749 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.705 2.833 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.440 2.262 -13.577 1.00 0.00 H new ATOM 42 N LYS A 3 -6.422 4.488 -11.521 1.00 0.00 N ATOM 43 CA LYS A 3 -6.309 5.621 -10.610 1.00 0.00 C ATOM 44 C LYS A 3 -4.870 5.791 -10.136 1.00 0.00 C ATOM 45 O LYS A 3 -4.250 4.843 -9.656 1.00 0.00 O ATOM 46 CB LYS A 3 -7.232 5.427 -9.405 1.00 0.00 C ATOM 47 CG LYS A 3 -7.023 4.104 -8.685 1.00 0.00 C ATOM 48 CD LYS A 3 -6.774 4.308 -7.199 1.00 0.00 C ATOM 49 CE LYS A 3 -7.453 3.230 -6.369 1.00 0.00 C ATOM 50 NZ LYS A 3 -8.825 3.633 -5.953 1.00 0.00 N ATOM 0 H LYS A 3 -5.547 3.989 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.608 6.521 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.073 6.244 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.268 5.490 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.900 3.471 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.177 3.578 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.702 4.298 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.144 5.288 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.505 2.306 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.852 3.020 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.254 2.872 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.774 4.500 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.406 3.809 -6.797 1.00 0.00 H new ATOM 64 N LEU A 4 -4.342 7.003 -10.276 1.00 0.00 N ATOM 65 CA LEU A 4 -2.973 7.289 -9.861 1.00 0.00 C ATOM 66 C LEU A 4 -2.629 8.760 -10.061 1.00 0.00 C ATOM 67 O LEU A 4 -2.346 9.196 -11.177 1.00 0.00 O ATOM 68 CB LEU A 4 -1.991 6.415 -10.646 1.00 0.00 C ATOM 69 CG LEU A 4 -0.673 6.117 -9.930 1.00 0.00 C ATOM 70 CD1 LEU A 4 0.089 5.017 -10.653 1.00 0.00 C ATOM 71 CD2 LEU A 4 0.173 7.375 -9.825 1.00 0.00 C ATOM 0 H LEU A 4 -4.839 7.800 -10.672 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.891 7.062 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.479 5.470 -10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.769 6.906 -11.594 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.899 5.772 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.024 4.818 -10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.515 4.110 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.304 5.334 -11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.107 7.144 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.391 7.751 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.371 8.134 -9.262 1.00 0.00 H new ATOM 83 N LYS A 5 -2.643 9.521 -8.970 1.00 0.00 N ATOM 84 CA LYS A 5 -2.320 10.941 -9.025 1.00 0.00 C ATOM 85 C LYS A 5 -1.392 11.330 -7.873 1.00 0.00 C ATOM 86 O LYS A 5 -0.170 11.298 -8.019 1.00 0.00 O ATOM 87 CB LYS A 5 -3.599 11.785 -8.999 1.00 0.00 C ATOM 88 CG LYS A 5 -3.954 12.391 -10.348 1.00 0.00 C ATOM 89 CD LYS A 5 -4.401 13.838 -10.212 1.00 0.00 C ATOM 90 CE LYS A 5 -3.214 14.772 -10.049 1.00 0.00 C ATOM 91 NZ LYS A 5 -2.661 15.203 -11.363 1.00 0.00 N ATOM 0 H LYS A 5 -2.875 9.177 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.799 11.137 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.428 11.164 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.481 12.586 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.090 12.337 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.748 11.806 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.975 14.127 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.064 13.936 -9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.518 15.649 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.435 14.272 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.981 15.976 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.180 14.400 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.435 15.534 -11.974 1.00 0.00 H new ATOM 105 N LYS A 6 -1.970 11.689 -6.726 1.00 0.00 N ATOM 106 CA LYS A 6 -1.175 12.073 -5.560 1.00 0.00 C ATOM 107 C LYS A 6 -2.058 12.616 -4.437 1.00 0.00 C ATOM 108 O LYS A 6 -3.285 12.540 -4.503 1.00 0.00 O ATOM 109 CB LYS A 6 -0.113 13.115 -5.946 1.00 0.00 C ATOM 110 CG LYS A 6 -0.561 14.100 -7.020 1.00 0.00 C ATOM 111 CD LYS A 6 0.467 14.217 -8.136 1.00 0.00 C ATOM 112 CE LYS A 6 0.162 15.387 -9.058 1.00 0.00 C ATOM 113 NZ LYS A 6 -0.193 16.617 -8.298 1.00 0.00 N ATOM 0 H LYS A 6 -2.979 11.722 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.674 11.176 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.172 13.673 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.779 12.595 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.515 13.777 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.725 15.080 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.460 14.342 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.484 13.293 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.028 15.588 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.660 15.121 -9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.255 17.442 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.226 16.740 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.143 16.529 -7.318 1.00 0.00 H new ATOM 127 N HIS A 7 -1.416 13.152 -3.399 1.00 0.00 N ATOM 128 CA HIS A 7 -2.119 13.704 -2.240 1.00 0.00 C ATOM 129 C HIS A 7 -3.317 14.569 -2.641 1.00 0.00 C ATOM 130 O HIS A 7 -4.407 14.401 -2.095 1.00 0.00 O ATOM 131 CB HIS A 7 -1.155 14.521 -1.379 1.00 0.00 C ATOM 132 CG HIS A 7 -1.656 14.766 0.012 1.00 0.00 C ATOM 133 ND1 HIS A 7 -2.245 13.788 0.784 1.00 0.00 N ATOM 134 CD2 HIS A 7 -1.654 15.890 0.768 1.00 0.00 C ATOM 135 CE1 HIS A 7 -2.584 14.297 1.954 1.00 0.00 C ATOM 136 NE2 HIS A 7 -2.236 15.571 1.969 1.00 0.00 N ATOM 0 H HIS A 7 -0.400 13.216 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.503 12.860 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.198 14.001 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.970 15.479 -1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.267 16.856 0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.064 13.763 2.761 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.377 16.214 2.748 1.00 0.00 H new ATOM 145 N PRO A 8 -3.140 15.512 -3.592 1.00 0.00 N ATOM 146 CA PRO A 8 -4.218 16.396 -4.042 1.00 0.00 C ATOM 147 C PRO A 8 -5.575 15.699 -4.105 1.00 0.00 C ATOM 148 O PRO A 8 -6.614 16.316 -3.869 1.00 0.00 O ATOM 149 CB PRO A 8 -3.752 16.799 -5.435 1.00 0.00 C ATOM 150 CG PRO A 8 -2.267 16.848 -5.323 1.00 0.00 C ATOM 151 CD PRO A 8 -1.876 15.803 -4.304 1.00 0.00 C ATOM 0 HA PRO A 8 -4.379 17.231 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.071 16.077 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.162 17.766 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.799 16.644 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.935 17.838 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.472 14.911 -4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.110 16.175 -3.623 1.00 0.00 H new ATOM 159 N ASP A 9 -5.554 14.409 -4.418 1.00 0.00 N ATOM 160 CA ASP A 9 -6.778 13.621 -4.505 1.00 0.00 C ATOM 161 C ASP A 9 -6.680 12.384 -3.614 1.00 0.00 C ATOM 162 O ASP A 9 -5.804 12.301 -2.753 1.00 0.00 O ATOM 163 CB ASP A 9 -7.040 13.217 -5.958 1.00 0.00 C ATOM 164 CG ASP A 9 -7.134 14.415 -6.881 1.00 0.00 C ATOM 165 OD1 ASP A 9 -6.074 14.956 -7.260 1.00 0.00 O ATOM 166 OD2 ASP A 9 -8.267 14.812 -7.227 1.00 0.00 O ATOM 0 H ASP A 9 -4.701 13.885 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.613 14.229 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.240 12.560 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.967 12.646 -6.012 1.00 0.00 H new ATOM 171 N PHE A 10 -7.577 11.425 -3.826 1.00 0.00 N ATOM 172 CA PHE A 10 -7.585 10.192 -3.039 1.00 0.00 C ATOM 173 C PHE A 10 -6.178 9.606 -2.900 1.00 0.00 C ATOM 174 O PHE A 10 -5.739 9.289 -1.794 1.00 0.00 O ATOM 175 CB PHE A 10 -8.517 9.162 -3.681 1.00 0.00 C ATOM 176 CG PHE A 10 -9.448 8.502 -2.703 1.00 0.00 C ATOM 177 CD1 PHE A 10 -9.061 7.357 -2.024 1.00 0.00 C ATOM 178 CD2 PHE A 10 -10.707 9.026 -2.464 1.00 0.00 C ATOM 179 CE1 PHE A 10 -9.915 6.749 -1.123 1.00 0.00 C ATOM 180 CE2 PHE A 10 -11.565 8.421 -1.565 1.00 0.00 C ATOM 181 CZ PHE A 10 -11.169 7.282 -0.893 1.00 0.00 C ATOM 0 H PHE A 10 -8.308 11.476 -4.535 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.949 10.437 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.106 9.651 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.916 8.396 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.082 6.936 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.022 9.917 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.602 5.858 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.545 8.839 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.838 6.809 -0.189 1.00 0.00 H new ATOM 191 N PRO A 11 -5.450 9.452 -4.024 1.00 0.00 N ATOM 192 CA PRO A 11 -4.090 8.902 -4.024 1.00 0.00 C ATOM 193 C PRO A 11 -3.241 9.405 -2.860 1.00 0.00 C ATOM 194 O PRO A 11 -3.147 10.606 -2.614 1.00 0.00 O ATOM 195 CB PRO A 11 -3.531 9.397 -5.351 1.00 0.00 C ATOM 196 CG PRO A 11 -4.713 9.440 -6.255 1.00 0.00 C ATOM 197 CD PRO A 11 -5.895 9.799 -5.389 1.00 0.00 C ATOM 0 HA PRO A 11 -4.086 7.818 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.073 10.381 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.762 8.726 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.572 10.177 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.866 8.477 -6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.145 10.857 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.785 9.238 -5.674 1.00 0.00 H new ATOM 205 N LYS A 12 -2.624 8.462 -2.156 1.00 0.00 N ATOM 206 CA LYS A 12 -1.769 8.768 -1.013 1.00 0.00 C ATOM 207 C LYS A 12 -1.282 7.474 -0.367 1.00 0.00 C ATOM 208 O LYS A 12 -2.082 6.652 0.077 1.00 0.00 O ATOM 209 CB LYS A 12 -2.521 9.614 0.021 1.00 0.00 C ATOM 210 CG LYS A 12 -3.575 8.840 0.797 1.00 0.00 C ATOM 211 CD LYS A 12 -4.419 9.761 1.663 1.00 0.00 C ATOM 212 CE LYS A 12 -5.661 9.054 2.184 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.321 7.989 3.168 1.00 0.00 N ATOM 0 H LYS A 12 -2.702 7.466 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.912 9.340 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.802 10.036 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.999 10.452 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.219 8.303 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.090 8.092 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.824 10.119 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.713 10.637 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.324 9.782 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.207 8.616 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.194 7.531 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.709 7.281 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.823 8.411 3.978 1.00 0.00 H new ATOM 227 N LYS A 13 0.033 7.293 -0.324 1.00 0.00 N ATOM 228 CA LYS A 13 0.618 6.090 0.259 1.00 0.00 C ATOM 229 C LYS A 13 0.194 4.851 -0.533 1.00 0.00 C ATOM 230 O LYS A 13 -0.997 4.572 -0.668 1.00 0.00 O ATOM 231 CB LYS A 13 0.191 5.946 1.722 1.00 0.00 C ATOM 232 CG LYS A 13 1.266 5.348 2.614 1.00 0.00 C ATOM 233 CD LYS A 13 0.715 4.982 3.982 1.00 0.00 C ATOM 234 CE LYS A 13 1.749 4.251 4.823 1.00 0.00 C ATOM 235 NZ LYS A 13 1.133 3.183 5.657 1.00 0.00 N ATOM 0 H LYS A 13 0.713 7.962 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 13 1.703 6.180 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.086 6.927 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.700 5.320 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.682 4.460 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.083 6.060 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.396 5.886 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.168 4.354 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.503 3.812 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.262 4.964 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.872 2.709 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.431 3.605 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.665 2.488 5.041 1.00 0.00 H new ATOM 249 N PRO A 14 1.163 4.091 -1.075 1.00 0.00 N ATOM 250 CA PRO A 14 0.872 2.884 -1.858 1.00 0.00 C ATOM 251 C PRO A 14 0.179 1.805 -1.035 1.00 0.00 C ATOM 252 O PRO A 14 0.045 1.925 0.184 1.00 0.00 O ATOM 253 CB PRO A 14 2.253 2.400 -2.313 1.00 0.00 C ATOM 254 CG PRO A 14 3.214 3.022 -1.360 1.00 0.00 C ATOM 255 CD PRO A 14 2.611 4.342 -0.972 1.00 0.00 C ATOM 0 HA PRO A 14 0.189 3.098 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.319 1.312 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.460 2.706 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.363 2.388 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.191 3.160 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.898 4.635 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.930 5.143 -1.639 1.00 0.00 H new ATOM 263 N LEU A 15 -0.257 0.747 -1.710 1.00 0.00 N ATOM 264 CA LEU A 15 -0.935 -0.361 -1.048 1.00 0.00 C ATOM 265 C LEU A 15 0.078 -1.357 -0.497 1.00 0.00 C ATOM 266 O LEU A 15 1.286 -1.171 -0.639 1.00 0.00 O ATOM 267 CB LEU A 15 -1.878 -1.069 -2.023 1.00 0.00 C ATOM 268 CG LEU A 15 -3.154 -0.296 -2.371 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.397 -0.310 -3.873 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.351 -0.879 -1.633 1.00 0.00 C ATOM 0 H LEU A 15 -0.152 0.634 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.518 0.043 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.334 -1.275 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.160 -2.032 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.024 0.739 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.308 0.244 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.553 0.155 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.504 -1.339 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.248 -0.317 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.482 -1.923 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.182 -0.816 -0.558 1.00 0.00 H new ATOM 282 N THR A 16 -0.419 -2.419 0.128 1.00 0.00 N ATOM 283 CA THR A 16 0.450 -3.443 0.693 1.00 0.00 C ATOM 284 C THR A 16 0.601 -4.617 -0.273 1.00 0.00 C ATOM 285 O THR A 16 -0.310 -4.915 -1.045 1.00 0.00 O ATOM 286 CB THR A 16 -0.097 -3.934 2.035 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.458 -4.311 1.915 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.003 -2.899 3.135 1.00 0.00 C ATOM 0 H THR A 16 -1.416 -2.592 0.256 1.00 0.00 H new ATOM 0 HA THR A 16 1.432 -2.999 0.857 1.00 0.00 H new ATOM 0 HB THR A 16 0.526 -4.786 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.789 -4.623 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.408 -3.312 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.041 -2.624 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.574 -2.015 2.852 1.00 0.00 H new ATOM 296 N PRO A 17 1.758 -5.300 -0.238 1.00 0.00 N ATOM 297 CA PRO A 17 2.029 -6.444 -1.113 1.00 0.00 C ATOM 298 C PRO A 17 0.846 -7.400 -1.204 1.00 0.00 C ATOM 299 O PRO A 17 0.552 -7.939 -2.271 1.00 0.00 O ATOM 300 CB PRO A 17 3.215 -7.124 -0.435 1.00 0.00 C ATOM 301 CG PRO A 17 3.937 -6.020 0.258 1.00 0.00 C ATOM 302 CD PRO A 17 2.893 -5.008 0.658 1.00 0.00 C ATOM 0 HA PRO A 17 2.222 -6.138 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.884 -7.886 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.856 -7.621 -1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.469 -6.394 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.681 -5.570 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.613 -5.115 1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.254 -3.988 0.527 1.00 0.00 H new ATOM 310 N TYR A 18 0.170 -7.606 -0.078 1.00 0.00 N ATOM 311 CA TYR A 18 -0.981 -8.497 -0.036 1.00 0.00 C ATOM 312 C TYR A 18 -2.184 -7.858 -0.724 1.00 0.00 C ATOM 313 O TYR A 18 -2.955 -8.535 -1.404 1.00 0.00 O ATOM 314 CB TYR A 18 -1.332 -8.852 1.410 1.00 0.00 C ATOM 315 CG TYR A 18 -2.474 -9.839 1.533 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.579 -10.920 0.667 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.445 -9.689 2.516 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.620 -11.822 0.775 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.488 -10.587 2.630 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.571 -11.653 1.758 1.00 0.00 C ATOM 321 OH TYR A 18 -5.610 -12.548 1.869 1.00 0.00 O ATOM 0 H TYR A 18 0.400 -7.169 0.814 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.721 -9.411 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.450 -9.267 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.592 -7.939 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.835 -11.058 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.383 -8.857 3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.688 -12.656 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.235 -10.455 3.398 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.190 -12.285 2.613 1.00 0.00 H new ATOM 331 N PHE A 19 -2.339 -6.549 -0.543 1.00 0.00 N ATOM 332 CA PHE A 19 -3.449 -5.819 -1.148 1.00 0.00 C ATOM 333 C PHE A 19 -3.329 -5.822 -2.668 1.00 0.00 C ATOM 334 O PHE A 19 -4.309 -6.051 -3.376 1.00 0.00 O ATOM 335 CB PHE A 19 -3.491 -4.378 -0.629 1.00 0.00 C ATOM 336 CG PHE A 19 -4.786 -4.020 0.049 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.998 -4.454 -0.466 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.790 -3.248 1.200 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.188 -4.124 0.155 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.976 -2.917 1.825 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.178 -3.356 1.302 1.00 0.00 C ATOM 0 H PHE A 19 -1.711 -5.973 0.017 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.376 -6.320 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.670 -4.229 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.326 -3.695 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.012 -5.057 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.854 -2.901 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.125 -4.467 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.965 -2.315 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.107 -3.099 1.789 1.00 0.00 H new ATOM 351 N ARG A 20 -2.120 -5.574 -3.163 1.00 0.00 N ATOM 352 CA ARG A 20 -1.874 -5.557 -4.602 1.00 0.00 C ATOM 353 C ARG A 20 -1.889 -6.969 -5.188 1.00 0.00 C ATOM 354 O ARG A 20 -1.734 -7.149 -6.393 1.00 0.00 O ATOM 355 CB ARG A 20 -0.535 -4.881 -4.903 1.00 0.00 C ATOM 356 CG ARG A 20 0.623 -5.423 -4.081 1.00 0.00 C ATOM 357 CD ARG A 20 1.963 -5.044 -4.689 1.00 0.00 C ATOM 358 NE ARG A 20 2.393 -6.006 -5.702 1.00 0.00 N ATOM 359 CZ ARG A 20 2.877 -5.673 -6.899 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.008 -4.397 -7.245 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.233 -6.620 -7.754 1.00 0.00 N ATOM 0 H ARG A 20 -1.297 -5.383 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.678 -4.988 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.306 -5.004 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.629 -3.811 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.561 -5.036 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.547 -6.508 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.891 -4.053 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.715 -4.985 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 20 2.318 -6.998 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.737 -3.661 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.379 -4.153 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.137 -7.602 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.603 -6.367 -8.670 1.00 0.00 H new ATOM 375 N PHE A 21 -2.072 -7.969 -4.327 1.00 0.00 N ATOM 376 CA PHE A 21 -2.108 -9.365 -4.751 1.00 0.00 C ATOM 377 C PHE A 21 -3.547 -9.859 -4.853 1.00 0.00 C ATOM 378 O PHE A 21 -3.903 -10.622 -5.758 1.00 0.00 O ATOM 379 CB PHE A 21 -1.334 -10.216 -3.742 1.00 0.00 C ATOM 380 CG PHE A 21 -1.091 -11.631 -4.178 1.00 0.00 C ATOM 381 CD1 PHE A 21 -2.135 -12.538 -4.253 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.186 -12.056 -4.497 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.905 -13.845 -4.640 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.422 -13.358 -4.885 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.626 -14.256 -4.957 1.00 0.00 C ATOM 0 H PHE A 21 -2.198 -7.835 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.647 -9.450 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.373 -9.740 -3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.882 -10.229 -2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.138 -12.221 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.009 -11.359 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.726 -14.545 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.424 -13.675 -5.132 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.445 -15.277 -5.260 1.00 0.00 H new ATOM 395 N PHE A 22 -4.371 -9.406 -3.917 1.00 0.00 N ATOM 396 CA PHE A 22 -5.776 -9.780 -3.866 1.00 0.00 C ATOM 397 C PHE A 22 -6.571 -8.964 -4.875 1.00 0.00 C ATOM 398 O PHE A 22 -7.180 -9.503 -5.797 1.00 0.00 O ATOM 399 CB PHE A 22 -6.293 -9.545 -2.440 1.00 0.00 C ATOM 400 CG PHE A 22 -7.785 -9.639 -2.268 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.608 -8.586 -2.634 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.359 -10.772 -1.714 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.977 -8.663 -2.456 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.725 -10.854 -1.530 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.535 -9.799 -1.902 1.00 0.00 C ATOM 0 H PHE A 22 -4.083 -8.770 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.894 -10.833 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.822 -10.271 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.969 -8.557 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.175 -7.695 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.731 -11.601 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.608 -7.837 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.160 -11.742 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.604 -9.862 -1.760 1.00 0.00 H new ATOM 415 N MET A 23 -6.541 -7.657 -4.682 1.00 0.00 N ATOM 416 CA MET A 23 -7.242 -6.722 -5.546 1.00 0.00 C ATOM 417 C MET A 23 -6.806 -6.844 -7.007 1.00 0.00 C ATOM 418 O MET A 23 -7.530 -6.428 -7.910 1.00 0.00 O ATOM 419 CB MET A 23 -6.977 -5.308 -5.046 1.00 0.00 C ATOM 420 CG MET A 23 -8.054 -4.784 -4.115 1.00 0.00 C ATOM 421 SD MET A 23 -9.129 -3.570 -4.902 1.00 0.00 S ATOM 422 CE MET A 23 -10.473 -3.496 -3.720 1.00 0.00 C ATOM 0 H MET A 23 -6.029 -7.213 -3.920 1.00 0.00 H new ATOM 0 HA MET A 23 -8.306 -6.954 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.018 -5.288 -4.528 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.890 -4.639 -5.902 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.657 -5.619 -3.758 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.584 -4.334 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.223 -2.785 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.926 -4.482 -3.622 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.089 -3.176 -2.752 1.00 0.00 H new ATOM 432 N GLU A 24 -5.617 -7.393 -7.236 1.00 0.00 N ATOM 433 CA GLU A 24 -5.099 -7.530 -8.596 1.00 0.00 C ATOM 434 C GLU A 24 -5.593 -8.806 -9.277 1.00 0.00 C ATOM 435 O GLU A 24 -5.953 -8.784 -10.455 1.00 0.00 O ATOM 436 CB GLU A 24 -3.564 -7.487 -8.596 1.00 0.00 C ATOM 437 CG GLU A 24 -2.895 -8.823 -8.291 1.00 0.00 C ATOM 438 CD GLU A 24 -2.784 -9.717 -9.511 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.245 -9.303 -10.597 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.237 -10.832 -9.381 1.00 0.00 O ATOM 0 H GLU A 24 -4.998 -7.747 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.480 -6.686 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.223 -7.138 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.233 -6.753 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.899 -8.642 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.463 -9.340 -7.518 1.00 0.00 H new ATOM 447 N LYS A 25 -5.599 -9.919 -8.550 1.00 0.00 N ATOM 448 CA LYS A 25 -6.038 -11.188 -9.124 1.00 0.00 C ATOM 449 C LYS A 25 -7.474 -11.527 -8.723 1.00 0.00 C ATOM 450 O LYS A 25 -8.004 -12.564 -9.124 1.00 0.00 O ATOM 451 CB LYS A 25 -5.087 -12.317 -8.720 1.00 0.00 C ATOM 452 CG LYS A 25 -5.335 -12.869 -7.329 1.00 0.00 C ATOM 453 CD LYS A 25 -4.056 -13.403 -6.709 1.00 0.00 C ATOM 454 CE LYS A 25 -3.914 -14.904 -6.921 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.602 -15.255 -7.528 1.00 0.00 N ATOM 0 H LYS A 25 -5.309 -9.970 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.018 -11.081 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.176 -13.128 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.062 -11.951 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.750 -12.086 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.077 -13.666 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.198 -12.891 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.049 -13.184 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.021 -15.418 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.719 -15.258 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.570 -16.277 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.481 -14.732 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.837 -15.002 -6.871 1.00 0.00 H new ATOM 469 N ARG A 26 -8.106 -10.654 -7.942 1.00 0.00 N ATOM 470 CA ARG A 26 -9.480 -10.879 -7.513 1.00 0.00 C ATOM 471 C ARG A 26 -10.354 -11.165 -8.719 1.00 0.00 C ATOM 472 O ARG A 26 -11.257 -12.000 -8.674 1.00 0.00 O ATOM 473 CB ARG A 26 -10.023 -9.660 -6.757 1.00 0.00 C ATOM 474 CG ARG A 26 -10.006 -9.800 -5.241 1.00 0.00 C ATOM 475 CD ARG A 26 -10.353 -11.211 -4.789 1.00 0.00 C ATOM 476 NE ARG A 26 -11.374 -11.831 -5.625 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.640 -11.423 -5.683 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.049 -10.395 -4.952 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.501 -12.050 -6.472 1.00 0.00 N ATOM 0 H ARG A 26 -7.690 -9.790 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.494 -11.737 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.436 -8.784 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.047 -9.474 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.019 -9.532 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.715 -9.096 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.453 -11.826 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.702 -11.183 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.101 -12.627 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.392 -9.911 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.020 -10.088 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.193 -12.844 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.471 -11.739 -6.517 1.00 0.00 H new ATOM 493 N ALA A 27 -10.054 -10.468 -9.803 1.00 0.00 N ATOM 494 CA ALA A 27 -10.781 -10.639 -11.050 1.00 0.00 C ATOM 495 C ALA A 27 -10.745 -12.098 -11.477 1.00 0.00 C ATOM 496 O ALA A 27 -11.703 -12.624 -12.041 1.00 0.00 O ATOM 497 CB ALA A 27 -10.168 -9.770 -12.131 1.00 0.00 C ATOM 0 H ALA A 27 -9.307 -9.774 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.818 -10.339 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.719 -9.904 -13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.217 -8.724 -11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.127 -10.056 -12.281 1.00 0.00 H new ATOM 503 N LYS A 28 -9.617 -12.736 -11.195 1.00 0.00 N ATOM 504 CA LYS A 28 -9.422 -14.140 -11.542 1.00 0.00 C ATOM 505 C LYS A 28 -10.269 -15.058 -10.660 1.00 0.00 C ATOM 506 O LYS A 28 -10.502 -16.217 -11.000 1.00 0.00 O ATOM 507 CB LYS A 28 -7.944 -14.514 -11.412 1.00 0.00 C ATOM 508 CG LYS A 28 -7.537 -15.698 -12.274 1.00 0.00 C ATOM 509 CD LYS A 28 -7.263 -16.938 -11.435 1.00 0.00 C ATOM 510 CE LYS A 28 -8.220 -18.069 -11.779 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.679 -18.947 -12.853 1.00 0.00 N ATOM 0 H LYS A 28 -8.821 -12.304 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.742 -14.275 -12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.335 -13.652 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.726 -14.743 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.327 -15.913 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.646 -15.442 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.237 -17.267 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.356 -16.691 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.414 -18.664 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.175 -17.652 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.361 -19.705 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.518 -18.385 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.780 -19.366 -12.539 1.00 0.00 H new ATOM 525 N TYR A 29 -10.723 -14.535 -9.524 1.00 0.00 N ATOM 526 CA TYR A 29 -11.540 -15.311 -8.595 1.00 0.00 C ATOM 527 C TYR A 29 -13.015 -14.972 -8.742 1.00 0.00 C ATOM 528 O TYR A 29 -13.882 -15.811 -8.503 1.00 0.00 O ATOM 529 CB TYR A 29 -11.101 -15.047 -7.159 1.00 0.00 C ATOM 530 CG TYR A 29 -9.832 -15.761 -6.768 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.839 -17.112 -6.446 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.625 -15.079 -6.718 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.676 -17.763 -6.086 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.459 -15.722 -6.360 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.489 -17.064 -6.044 1.00 0.00 C ATOM 536 OH TYR A 29 -6.326 -17.708 -5.685 1.00 0.00 O ATOM 0 H TYR A 29 -10.539 -13.577 -9.225 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.401 -16.366 -8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.960 -13.975 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.900 -15.351 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.768 -17.662 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.598 -14.028 -6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.696 -18.814 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.527 -15.177 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.580 -17.073 -5.707 1.00 0.00 H new ATOM 546 N ALA A 30 -13.296 -13.739 -9.151 1.00 0.00 N ATOM 547 CA ALA A 30 -14.669 -13.300 -9.340 1.00 0.00 C ATOM 548 C ALA A 30 -15.258 -13.976 -10.566 1.00 0.00 C ATOM 549 O ALA A 30 -16.473 -13.996 -10.768 1.00 0.00 O ATOM 550 CB ALA A 30 -14.725 -11.786 -9.481 1.00 0.00 C ATOM 0 H ALA A 30 -12.592 -13.030 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.258 -13.581 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.759 -11.472 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.324 -11.322 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.132 -11.479 -10.342 1.00 0.00 H new ATOM 556 N LYS A 31 -14.370 -14.533 -11.377 1.00 0.00 N ATOM 557 CA LYS A 31 -14.751 -15.225 -12.591 1.00 0.00 C ATOM 558 C LYS A 31 -14.649 -16.736 -12.400 1.00 0.00 C ATOM 559 O LYS A 31 -15.318 -17.507 -13.090 1.00 0.00 O ATOM 560 CB LYS A 31 -13.833 -14.775 -13.723 1.00 0.00 C ATOM 561 CG LYS A 31 -14.350 -13.569 -14.490 1.00 0.00 C ATOM 562 CD LYS A 31 -15.788 -13.764 -14.941 1.00 0.00 C ATOM 563 CE LYS A 31 -16.173 -12.775 -16.030 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.593 -12.347 -15.912 1.00 0.00 N ATOM 0 H LYS A 31 -13.364 -14.516 -11.208 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.785 -14.984 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.852 -14.538 -13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.695 -15.604 -14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.283 -12.682 -13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.717 -13.392 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.919 -14.781 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.456 -13.645 -14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.524 -11.901 -15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.010 -13.229 -17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.817 -11.673 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.214 -13.178 -15.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.742 -11.891 -14.990 1.00 0.00 H new ATOM 578 N LEU A 32 -13.800 -17.149 -11.462 1.00 0.00 N ATOM 579 CA LEU A 32 -13.597 -18.567 -11.178 1.00 0.00 C ATOM 580 C LEU A 32 -14.484 -19.048 -10.027 1.00 0.00 C ATOM 581 O LEU A 32 -14.475 -20.232 -9.687 1.00 0.00 O ATOM 582 CB LEU A 32 -12.129 -18.826 -10.840 1.00 0.00 C ATOM 583 CG LEU A 32 -11.766 -20.297 -10.615 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.645 -20.724 -11.551 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.370 -20.535 -9.165 1.00 0.00 C ATOM 0 H LEU A 32 -13.241 -16.521 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.875 -19.126 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.511 -18.435 -11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.874 -18.263 -9.942 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.645 -20.902 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.403 -21.772 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.965 -20.595 -12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.763 -20.112 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.116 -21.586 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.507 -19.917 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.203 -20.273 -8.513 1.00 0.00 H new ATOM 597 N HIS A 33 -15.251 -18.137 -9.430 1.00 0.00 N ATOM 598 CA HIS A 33 -16.133 -18.495 -8.321 1.00 0.00 C ATOM 599 C HIS A 33 -17.601 -18.280 -8.693 1.00 0.00 C ATOM 600 O HIS A 33 -18.317 -17.536 -8.021 1.00 0.00 O ATOM 601 CB HIS A 33 -15.781 -17.683 -7.069 1.00 0.00 C ATOM 602 CG HIS A 33 -14.578 -18.199 -6.342 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.602 -18.563 -5.012 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.310 -18.418 -6.766 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.403 -18.981 -4.650 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.600 -18.904 -5.695 1.00 0.00 N ATOM 0 H HIS A 33 -15.280 -17.152 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.986 -19.554 -8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.606 -16.646 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.635 -17.687 -6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.928 -18.243 -7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.126 -19.327 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.613 -19.163 -5.706 1.00 0.00 H new ATOM 615 N PRO A 34 -18.073 -18.934 -9.772 1.00 0.00 N ATOM 616 CA PRO A 34 -19.464 -18.810 -10.223 1.00 0.00 C ATOM 617 C PRO A 34 -20.440 -19.500 -9.276 1.00 0.00 C ATOM 618 O PRO A 34 -21.554 -19.024 -9.061 1.00 0.00 O ATOM 619 CB PRO A 34 -19.459 -19.508 -11.582 1.00 0.00 C ATOM 620 CG PRO A 34 -18.345 -20.490 -11.494 1.00 0.00 C ATOM 621 CD PRO A 34 -17.295 -19.844 -10.632 1.00 0.00 C ATOM 0 HA PRO A 34 -19.789 -17.770 -10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.410 -20.004 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.298 -18.797 -12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.685 -21.429 -11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.950 -20.723 -12.483 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.747 -20.581 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.561 -19.303 -11.230 1.00 0.00 H new ATOM 629 N GLU A 35 -20.011 -20.624 -8.708 1.00 0.00 N ATOM 630 CA GLU A 35 -20.846 -21.378 -7.779 1.00 0.00 C ATOM 631 C GLU A 35 -20.347 -21.220 -6.347 1.00 0.00 C ATOM 632 O GLU A 35 -20.656 -22.035 -5.478 1.00 0.00 O ATOM 633 CB GLU A 35 -20.868 -22.860 -8.165 1.00 0.00 C ATOM 634 CG GLU A 35 -21.132 -23.100 -9.642 1.00 0.00 C ATOM 635 CD GLU A 35 -20.654 -24.463 -10.103 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.432 -24.631 -10.297 1.00 0.00 O ATOM 637 OE2 GLU A 35 -21.504 -25.364 -10.271 1.00 0.00 O ATOM 0 H GLU A 35 -19.091 -21.032 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.859 -20.981 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.912 -23.311 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.635 -23.368 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.201 -23.008 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.634 -22.327 -10.227 1.00 0.00 H new ATOM 644 N MET A 36 -19.581 -20.163 -6.110 1.00 0.00 N ATOM 645 CA MET A 36 -19.040 -19.888 -4.784 1.00 0.00 C ATOM 646 C MET A 36 -19.276 -18.432 -4.402 1.00 0.00 C ATOM 647 O MET A 36 -20.077 -17.737 -5.028 1.00 0.00 O ATOM 648 CB MET A 36 -17.541 -20.200 -4.741 1.00 0.00 C ATOM 649 CG MET A 36 -17.173 -21.524 -5.392 1.00 0.00 C ATOM 650 SD MET A 36 -16.317 -22.642 -4.266 1.00 0.00 S ATOM 651 CE MET A 36 -14.615 -22.145 -4.522 1.00 0.00 C ATOM 0 H MET A 36 -19.319 -19.480 -6.821 1.00 0.00 H new ATOM 0 HA MET A 36 -19.555 -20.528 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.997 -19.397 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.211 -20.212 -3.702 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.079 -22.008 -5.758 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.540 -21.334 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.010 -23.023 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.562 -21.443 -5.354 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.236 -21.666 -3.619 1.00 0.00 H new ATOM 661 N SER A 37 -18.570 -17.972 -3.376 1.00 0.00 N ATOM 662 CA SER A 37 -18.702 -16.596 -2.918 1.00 0.00 C ATOM 663 C SER A 37 -17.331 -15.967 -2.706 1.00 0.00 C ATOM 664 O SER A 37 -16.318 -16.664 -2.646 1.00 0.00 O ATOM 665 CB SER A 37 -19.507 -16.543 -1.617 1.00 0.00 C ATOM 666 OG SER A 37 -20.550 -17.502 -1.623 1.00 0.00 O ATOM 0 H SER A 37 -17.901 -18.531 -2.847 1.00 0.00 H new ATOM 0 HA SER A 37 -19.231 -16.030 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.846 -16.725 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.927 -15.546 -1.486 1.00 0.00 H new ATOM 0 HG SER A 37 -21.048 -17.449 -0.781 1.00 0.00 H new ATOM 672 N ASN A 38 -17.308 -14.644 -2.588 1.00 0.00 N ATOM 673 CA ASN A 38 -16.064 -13.913 -2.375 1.00 0.00 C ATOM 674 C ASN A 38 -15.337 -14.417 -1.133 1.00 0.00 C ATOM 675 O ASN A 38 -14.130 -14.227 -0.986 1.00 0.00 O ATOM 676 CB ASN A 38 -16.358 -12.420 -2.234 1.00 0.00 C ATOM 677 CG ASN A 38 -15.649 -11.586 -3.282 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.629 -10.958 -3.004 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.188 -11.576 -4.496 1.00 0.00 N ATOM 0 H ASN A 38 -18.139 -14.054 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.419 -14.078 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.433 -12.256 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.054 -12.086 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.754 -11.032 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.035 -12.112 -4.682 1.00 0.00 H new ATOM 686 N LEU A 39 -16.082 -15.057 -0.241 1.00 0.00 N ATOM 687 CA LEU A 39 -15.513 -15.586 0.991 1.00 0.00 C ATOM 688 C LEU A 39 -14.576 -16.751 0.697 1.00 0.00 C ATOM 689 O LEU A 39 -13.531 -16.897 1.329 1.00 0.00 O ATOM 690 CB LEU A 39 -16.622 -16.035 1.943 1.00 0.00 C ATOM 691 CG LEU A 39 -17.511 -14.909 2.479 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.943 -15.393 2.642 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.968 -14.387 3.800 1.00 0.00 C ATOM 0 H LEU A 39 -17.083 -15.222 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.940 -14.791 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.251 -16.760 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.167 -16.552 2.788 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.506 -14.091 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.561 -14.580 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.329 -15.719 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.968 -16.227 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.611 -13.587 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.944 -15.197 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.959 -14.002 3.652 1.00 0.00 H new ATOM 705 N ASP A 40 -14.961 -17.579 -0.269 1.00 0.00 N ATOM 706 CA ASP A 40 -14.155 -18.731 -0.651 1.00 0.00 C ATOM 707 C ASP A 40 -12.835 -18.287 -1.271 1.00 0.00 C ATOM 708 O ASP A 40 -11.762 -18.705 -0.837 1.00 0.00 O ATOM 709 CB ASP A 40 -14.928 -19.610 -1.635 1.00 0.00 C ATOM 710 CG ASP A 40 -15.844 -20.594 -0.935 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.957 -20.189 -0.538 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.450 -21.769 -0.786 1.00 0.00 O ATOM 0 H ASP A 40 -15.825 -17.473 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.935 -19.309 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.518 -18.977 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.223 -20.157 -2.261 1.00 0.00 H new ATOM 717 N LEU A 41 -12.920 -17.435 -2.288 1.00 0.00 N ATOM 718 CA LEU A 41 -11.732 -16.933 -2.965 1.00 0.00 C ATOM 719 C LEU A 41 -10.832 -16.169 -1.999 1.00 0.00 C ATOM 720 O LEU A 41 -9.610 -16.316 -2.028 1.00 0.00 O ATOM 721 CB LEU A 41 -12.128 -16.035 -4.139 1.00 0.00 C ATOM 722 CG LEU A 41 -13.310 -15.093 -3.889 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.816 -13.681 -3.613 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.263 -15.107 -5.076 1.00 0.00 C ATOM 0 H LEU A 41 -13.800 -17.078 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.174 -17.789 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.263 -15.435 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.368 -16.669 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.852 -15.444 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.669 -13.025 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.174 -13.686 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.250 -13.319 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.097 -14.432 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.734 -14.781 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.642 -16.118 -5.227 1.00 0.00 H new ATOM 736 N THR A 42 -11.440 -15.356 -1.141 1.00 0.00 N ATOM 737 CA THR A 42 -10.689 -14.573 -0.165 1.00 0.00 C ATOM 738 C THR A 42 -9.805 -15.476 0.693 1.00 0.00 C ATOM 739 O THR A 42 -8.633 -15.173 0.925 1.00 0.00 O ATOM 740 CB THR A 42 -11.649 -13.773 0.722 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.334 -12.796 -0.040 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.963 -13.060 1.868 1.00 0.00 C ATOM 0 H THR A 42 -12.450 -15.222 -1.101 1.00 0.00 H new ATOM 0 HA THR A 42 -10.045 -13.879 -0.705 1.00 0.00 H new ATOM 0 HB THR A 42 -12.336 -14.510 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.106 -13.208 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.704 -12.515 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.464 -13.791 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.226 -12.361 1.473 1.00 0.00 H new ATOM 750 N LYS A 43 -10.367 -16.588 1.153 1.00 0.00 N ATOM 751 CA LYS A 43 -9.623 -17.534 1.975 1.00 0.00 C ATOM 752 C LYS A 43 -8.431 -18.083 1.194 1.00 0.00 C ATOM 753 O LYS A 43 -7.326 -18.202 1.724 1.00 0.00 O ATOM 754 CB LYS A 43 -10.549 -18.670 2.434 1.00 0.00 C ATOM 755 CG LYS A 43 -9.874 -20.029 2.544 1.00 0.00 C ATOM 756 CD LYS A 43 -9.951 -20.793 1.232 1.00 0.00 C ATOM 757 CE LYS A 43 -10.175 -22.277 1.464 1.00 0.00 C ATOM 758 NZ LYS A 43 -11.322 -22.531 2.378 1.00 0.00 N ATOM 0 H LYS A 43 -11.334 -16.856 0.971 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.244 -17.022 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.971 -18.408 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.382 -18.748 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.830 -19.897 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.349 -20.610 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.762 -20.392 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.029 -20.647 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.356 -22.770 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.272 -22.719 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.785 -23.424 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.978 -22.595 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.006 -21.751 2.302 1.00 0.00 H new ATOM 772 N ILE A 44 -8.667 -18.408 -0.071 1.00 0.00 N ATOM 773 CA ILE A 44 -7.622 -18.940 -0.939 1.00 0.00 C ATOM 774 C ILE A 44 -6.448 -17.971 -1.034 1.00 0.00 C ATOM 775 O ILE A 44 -5.288 -18.374 -0.944 1.00 0.00 O ATOM 776 CB ILE A 44 -8.162 -19.210 -2.359 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.377 -20.135 -2.305 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.079 -19.809 -3.245 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.268 -20.019 -3.520 1.00 0.00 C ATOM 0 H ILE A 44 -9.577 -18.312 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.285 -19.878 -0.498 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.470 -18.258 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.037 -21.166 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.959 -19.907 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.483 -19.991 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.241 -19.116 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.737 -20.750 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.112 -20.702 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.636 -18.997 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.699 -20.275 -4.414 1.00 0.00 H new ATOM 791 N LEU A 45 -6.756 -16.693 -1.226 1.00 0.00 N ATOM 792 CA LEU A 45 -5.728 -15.667 -1.342 1.00 0.00 C ATOM 793 C LEU A 45 -4.995 -15.470 -0.018 1.00 0.00 C ATOM 794 O LEU A 45 -3.824 -15.090 0.002 1.00 0.00 O ATOM 795 CB LEU A 45 -6.350 -14.350 -1.802 1.00 0.00 C ATOM 796 CG LEU A 45 -6.834 -14.349 -3.251 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.703 -13.134 -3.529 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.650 -14.390 -4.203 1.00 0.00 C ATOM 0 H LEU A 45 -7.711 -16.343 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.001 -15.997 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.192 -14.114 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.617 -13.553 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.439 -15.241 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.036 -13.155 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.570 -13.148 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.127 -12.226 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.010 -14.389 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.020 -13.516 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.069 -15.295 -4.023 1.00 0.00 H new ATOM 810 N SER A 46 -5.686 -15.739 1.083 1.00 0.00 N ATOM 811 CA SER A 46 -5.094 -15.599 2.406 1.00 0.00 C ATOM 812 C SER A 46 -4.287 -16.842 2.770 1.00 0.00 C ATOM 813 O SER A 46 -3.550 -16.852 3.756 1.00 0.00 O ATOM 814 CB SER A 46 -6.180 -15.349 3.453 1.00 0.00 C ATOM 815 OG SER A 46 -5.716 -15.652 4.758 1.00 0.00 O ATOM 0 H SER A 46 -6.656 -16.055 1.085 1.00 0.00 H new ATOM 0 HA SER A 46 -4.420 -14.743 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.497 -14.307 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.055 -15.958 3.225 1.00 0.00 H new ATOM 0 HG SER A 46 -4.748 -15.804 4.734 1.00 0.00 H new ATOM 821 N LYS A 47 -4.433 -17.889 1.965 1.00 0.00 N ATOM 822 CA LYS A 47 -3.725 -19.135 2.189 1.00 0.00 C ATOM 823 C LYS A 47 -2.504 -19.230 1.278 1.00 0.00 C ATOM 824 O LYS A 47 -1.448 -19.715 1.683 1.00 0.00 O ATOM 825 CB LYS A 47 -4.671 -20.308 1.935 1.00 0.00 C ATOM 826 CG LYS A 47 -3.984 -21.664 1.939 1.00 0.00 C ATOM 827 CD LYS A 47 -3.961 -22.284 0.552 1.00 0.00 C ATOM 828 CE LYS A 47 -3.897 -23.803 0.621 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.361 -24.435 -0.644 1.00 0.00 N ATOM 0 H LYS A 47 -5.041 -17.894 1.146 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.379 -19.168 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.451 -20.304 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.163 -20.164 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.964 -21.554 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.501 -22.332 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.852 -21.981 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.101 -21.907 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.873 -24.114 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.511 -24.155 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.302 -25.470 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.346 -24.158 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.759 -24.119 -1.431 1.00 0.00 H new ATOM 843 N LYS A 48 -2.658 -18.757 0.044 1.00 0.00 N ATOM 844 CA LYS A 48 -1.569 -18.782 -0.925 1.00 0.00 C ATOM 845 C LYS A 48 -0.472 -17.800 -0.533 1.00 0.00 C ATOM 846 O LYS A 48 0.705 -18.155 -0.479 1.00 0.00 O ATOM 847 CB LYS A 48 -2.094 -18.450 -2.323 1.00 0.00 C ATOM 848 CG LYS A 48 -3.004 -19.523 -2.899 1.00 0.00 C ATOM 849 CD LYS A 48 -3.813 -18.995 -4.071 1.00 0.00 C ATOM 850 CE LYS A 48 -4.083 -20.084 -5.097 1.00 0.00 C ATOM 851 NZ LYS A 48 -2.837 -20.520 -5.788 1.00 0.00 N ATOM 0 H LYS A 48 -3.526 -18.352 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.146 -19.786 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.638 -17.506 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.248 -18.303 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.405 -20.374 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.679 -19.885 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.759 -18.592 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.276 -18.173 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.543 -20.940 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.798 -19.719 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.078 -20.929 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.211 -19.701 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.351 -21.234 -5.209 1.00 0.00 H new ATOM 865 N TYR A 49 -0.866 -16.558 -0.257 1.00 0.00 N ATOM 866 CA TYR A 49 0.075 -15.518 0.132 1.00 0.00 C ATOM 867 C TYR A 49 1.016 -15.998 1.235 1.00 0.00 C ATOM 868 O TYR A 49 2.220 -15.770 1.176 1.00 0.00 O ATOM 869 CB TYR A 49 -0.687 -14.284 0.603 1.00 0.00 C ATOM 870 CG TYR A 49 0.197 -13.083 0.806 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.631 -12.334 -0.276 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.599 -12.702 2.077 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.446 -11.234 -0.098 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.413 -11.603 2.266 1.00 0.00 C ATOM 875 CZ TYR A 49 1.835 -10.871 1.176 1.00 0.00 C ATOM 876 OH TYR A 49 2.647 -9.777 1.360 1.00 0.00 O ATOM 0 H TYR A 49 -1.837 -16.250 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 49 0.680 -15.267 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.458 -14.040 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.196 -14.515 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.327 -12.615 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.270 -13.274 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.778 -10.660 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.718 -11.318 3.262 1.00 0.00 H new ATOM 0 HH TYR A 49 2.825 -9.659 2.316 1.00 0.00 H new ATOM 886 N LYS A 50 0.460 -16.661 2.241 1.00 0.00 N ATOM 887 CA LYS A 50 1.263 -17.166 3.348 1.00 0.00 C ATOM 888 C LYS A 50 1.966 -18.466 2.966 1.00 0.00 C ATOM 889 O LYS A 50 2.958 -18.851 3.587 1.00 0.00 O ATOM 890 CB LYS A 50 0.388 -17.392 4.580 1.00 0.00 C ATOM 891 CG LYS A 50 -0.468 -16.192 4.944 1.00 0.00 C ATOM 892 CD LYS A 50 0.245 -15.275 5.927 1.00 0.00 C ATOM 893 CE LYS A 50 1.517 -14.697 5.326 1.00 0.00 C ATOM 894 NZ LYS A 50 1.792 -13.324 5.829 1.00 0.00 N ATOM 0 H LYS A 50 -0.538 -16.861 2.314 1.00 0.00 H new ATOM 0 HA LYS A 50 2.022 -16.419 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.260 -18.250 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.026 -17.644 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.718 -15.635 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.408 -16.533 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.422 -14.464 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.489 -15.830 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.359 -15.347 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.428 -14.675 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.813 -13.133 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.280 -12.632 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.475 -13.246 6.817 1.00 0.00 H new ATOM 908 N GLU A 51 1.441 -19.141 1.949 1.00 0.00 N ATOM 909 CA GLU A 51 2.011 -20.403 1.491 1.00 0.00 C ATOM 910 C GLU A 51 3.369 -20.196 0.822 1.00 0.00 C ATOM 911 O GLU A 51 4.305 -20.956 1.061 1.00 0.00 O ATOM 912 CB GLU A 51 1.053 -21.096 0.520 1.00 0.00 C ATOM 913 CG GLU A 51 0.201 -22.173 1.172 1.00 0.00 C ATOM 914 CD GLU A 51 0.768 -23.565 0.967 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.986 -23.680 0.722 1.00 0.00 O ATOM 916 OE2 GLU A 51 -0.010 -24.540 1.055 1.00 0.00 O ATOM 0 H GLU A 51 0.621 -18.835 1.426 1.00 0.00 H new ATOM 0 HA GLU A 51 2.159 -21.035 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.399 -20.348 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.630 -21.542 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.120 -21.971 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.808 -22.131 0.762 1.00 0.00 H new ATOM 923 N LEU A 52 3.472 -19.171 -0.023 1.00 0.00 N ATOM 924 CA LEU A 52 4.723 -18.888 -0.723 1.00 0.00 C ATOM 925 C LEU A 52 5.899 -18.833 0.245 1.00 0.00 C ATOM 926 O LEU A 52 5.762 -18.391 1.386 1.00 0.00 O ATOM 927 CB LEU A 52 4.631 -17.574 -1.507 1.00 0.00 C ATOM 928 CG LEU A 52 4.340 -16.335 -0.669 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.599 -15.496 -0.518 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.224 -15.518 -1.302 1.00 0.00 C ATOM 0 H LEU A 52 2.710 -18.528 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 52 4.892 -19.704 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.570 -17.421 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.850 -17.674 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 52 4.014 -16.650 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.378 -14.614 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.372 -16.086 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.950 -15.186 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.028 -14.636 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.523 -15.207 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.320 -16.124 -1.365 1.00 0.00 H new ATOM 942 N PRO A 53 7.080 -19.278 -0.211 1.00 0.00 N ATOM 943 CA PRO A 53 8.304 -19.284 0.600 1.00 0.00 C ATOM 944 C PRO A 53 8.857 -17.887 0.843 1.00 0.00 C ATOM 945 O PRO A 53 10.070 -17.695 0.931 1.00 0.00 O ATOM 946 CB PRO A 53 9.304 -20.049 -0.253 1.00 0.00 C ATOM 947 CG PRO A 53 8.786 -19.993 -1.649 1.00 0.00 C ATOM 948 CD PRO A 53 7.300 -19.813 -1.565 1.00 0.00 C ATOM 0 HA PRO A 53 8.111 -19.716 1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.295 -19.601 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.397 -21.080 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.243 -19.168 -2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.033 -20.908 -2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.938 -19.125 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.775 -20.757 -1.711 1.00 0.00 H new ATOM 956 N GLU A 54 7.972 -16.913 0.908 1.00 0.00 N ATOM 957 CA GLU A 54 8.365 -15.519 1.094 1.00 0.00 C ATOM 958 C GLU A 54 9.132 -15.027 -0.127 1.00 0.00 C ATOM 959 O GLU A 54 9.505 -13.855 -0.199 1.00 0.00 O ATOM 960 CB GLU A 54 9.219 -15.316 2.355 1.00 0.00 C ATOM 961 CG GLU A 54 9.295 -16.521 3.272 1.00 0.00 C ATOM 962 CD GLU A 54 9.458 -16.139 4.730 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.154 -15.139 5.007 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.893 -16.839 5.595 1.00 0.00 O ATOM 0 H GLU A 54 6.965 -17.057 0.835 1.00 0.00 H new ATOM 0 HA GLU A 54 7.450 -14.940 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.230 -15.043 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.817 -14.474 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.390 -17.118 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.132 -17.150 2.970 1.00 0.00 H new ATOM 971 N LYS A 55 9.363 -15.917 -1.093 1.00 0.00 N ATOM 972 CA LYS A 55 10.079 -15.541 -2.294 1.00 0.00 C ATOM 973 C LYS A 55 9.163 -14.765 -3.235 1.00 0.00 C ATOM 974 O LYS A 55 9.630 -13.999 -4.079 1.00 0.00 O ATOM 975 CB LYS A 55 10.636 -16.774 -3.004 1.00 0.00 C ATOM 976 CG LYS A 55 11.993 -17.216 -2.480 1.00 0.00 C ATOM 977 CD LYS A 55 13.126 -16.598 -3.282 1.00 0.00 C ATOM 978 CE LYS A 55 14.478 -16.883 -2.646 1.00 0.00 C ATOM 979 NZ LYS A 55 15.585 -16.806 -3.638 1.00 0.00 N ATOM 0 H LYS A 55 9.065 -16.892 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 55 10.914 -14.903 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.929 -17.596 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.719 -16.563 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.090 -16.932 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.065 -18.303 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.111 -16.991 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.977 -15.521 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.659 -16.168 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.465 -17.874 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.489 -17.006 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.426 -17.505 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.615 -15.852 -4.052 1.00 0.00 H new ATOM 993 N LYS A 56 7.854 -14.956 -3.074 1.00 0.00 N ATOM 994 CA LYS A 56 6.876 -14.260 -3.903 1.00 0.00 C ATOM 995 C LYS A 56 6.622 -12.867 -3.353 1.00 0.00 C ATOM 996 O LYS A 56 6.244 -11.957 -4.082 1.00 0.00 O ATOM 997 CB LYS A 56 5.562 -15.029 -3.968 1.00 0.00 C ATOM 998 CG LYS A 56 5.573 -16.171 -4.971 1.00 0.00 C ATOM 999 CD LYS A 56 4.166 -16.537 -5.419 1.00 0.00 C ATOM 1000 CE LYS A 56 3.900 -18.027 -5.266 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.999 -18.745 -6.566 1.00 0.00 N ATOM 0 H LYS A 56 7.450 -15.584 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 56 7.284 -14.187 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.335 -15.427 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.759 -14.338 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.170 -15.888 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.052 -17.043 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.439 -15.975 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.028 -16.247 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.614 -18.453 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.907 -18.177 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.811 -19.757 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.300 -18.356 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.955 -18.624 -6.958 1.00 0.00 H new ATOM 1015 N LYS A 57 6.834 -12.710 -2.056 1.00 0.00 N ATOM 1016 CA LYS A 57 6.639 -11.419 -1.414 1.00 0.00 C ATOM 1017 C LYS A 57 7.862 -10.543 -1.614 1.00 0.00 C ATOM 1018 O LYS A 57 7.752 -9.334 -1.808 1.00 0.00 O ATOM 1019 CB LYS A 57 6.388 -11.593 0.080 1.00 0.00 C ATOM 1020 CG LYS A 57 5.131 -12.368 0.387 1.00 0.00 C ATOM 1021 CD LYS A 57 5.238 -13.083 1.721 1.00 0.00 C ATOM 1022 CE LYS A 57 3.996 -13.907 2.015 1.00 0.00 C ATOM 1023 NZ LYS A 57 3.605 -13.833 3.450 1.00 0.00 N ATOM 0 H LYS A 57 7.139 -13.455 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 57 5.770 -10.944 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.240 -12.104 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.324 -10.610 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.278 -11.690 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.947 -13.095 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.114 -13.732 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.387 -12.352 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.171 -13.554 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.177 -14.946 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.423 -14.792 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.375 -13.398 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.744 -13.258 3.546 1.00 0.00 H new ATOM 1037 N MET A 58 9.031 -11.173 -1.574 1.00 0.00 N ATOM 1038 CA MET A 58 10.297 -10.471 -1.748 1.00 0.00 C ATOM 1039 C MET A 58 10.222 -9.536 -2.940 1.00 0.00 C ATOM 1040 O MET A 58 10.855 -8.480 -2.963 1.00 0.00 O ATOM 1041 CB MET A 58 11.436 -11.472 -1.931 1.00 0.00 C ATOM 1042 CG MET A 58 12.093 -11.881 -0.623 1.00 0.00 C ATOM 1043 SD MET A 58 12.999 -13.434 -0.757 1.00 0.00 S ATOM 1044 CE MET A 58 14.521 -13.012 0.087 1.00 0.00 C ATOM 0 H MET A 58 9.128 -12.177 -1.421 1.00 0.00 H new ATOM 0 HA MET A 58 10.493 -9.879 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.052 -12.362 -2.430 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.190 -11.038 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.775 -11.094 -0.302 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.329 -11.976 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.188 -13.874 0.087 1.00 0.00 H new ATOM 0 HE2 MET A 58 15.003 -12.180 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.299 -12.724 1.115 1.00 0.00 H new ATOM 1054 N LYS A 59 9.424 -9.927 -3.920 1.00 0.00 N ATOM 1055 CA LYS A 59 9.236 -9.127 -5.107 1.00 0.00 C ATOM 1056 C LYS A 59 8.198 -8.049 -4.846 1.00 0.00 C ATOM 1057 O LYS A 59 8.430 -6.869 -5.108 1.00 0.00 O ATOM 1058 CB LYS A 59 8.816 -10.010 -6.277 1.00 0.00 C ATOM 1059 CG LYS A 59 7.717 -11.006 -5.958 1.00 0.00 C ATOM 1060 CD LYS A 59 7.263 -11.752 -7.205 1.00 0.00 C ATOM 1061 CE LYS A 59 8.405 -12.519 -7.852 1.00 0.00 C ATOM 1062 NZ LYS A 59 8.860 -13.659 -7.007 1.00 0.00 N ATOM 0 H LYS A 59 8.896 -10.799 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 59 10.179 -8.645 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.482 -9.371 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.689 -10.556 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.075 -11.719 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.868 -10.484 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.463 -12.444 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.849 -11.043 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.085 -12.893 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.241 -11.843 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.672 -14.124 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.141 -13.306 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.084 -14.343 -6.900 1.00 0.00 H new ATOM 1076 N TYR A 60 7.055 -8.462 -4.309 1.00 0.00 N ATOM 1077 CA TYR A 60 5.985 -7.523 -3.991 1.00 0.00 C ATOM 1078 C TYR A 60 6.487 -6.422 -3.060 1.00 0.00 C ATOM 1079 O TYR A 60 6.211 -5.242 -3.282 1.00 0.00 O ATOM 1080 CB TYR A 60 4.812 -8.246 -3.338 1.00 0.00 C ATOM 1081 CG TYR A 60 4.255 -9.377 -4.169 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.069 -9.232 -5.538 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.915 -10.589 -3.586 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.561 -10.264 -6.301 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.407 -11.626 -4.341 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.233 -11.460 -5.699 1.00 0.00 C ATOM 1087 OH TYR A 60 2.728 -12.491 -6.456 1.00 0.00 O ATOM 0 H TYR A 60 6.846 -9.435 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 60 5.651 -7.071 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.131 -8.640 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.017 -7.526 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.326 -8.297 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.050 -10.723 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.421 -10.135 -7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.147 -12.563 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 60 1.776 -12.610 -6.254 1.00 0.00 H new ATOM 1097 N ILE A 61 7.228 -6.805 -2.018 1.00 0.00 N ATOM 1098 CA ILE A 61 7.761 -5.829 -1.072 1.00 0.00 C ATOM 1099 C ILE A 61 8.565 -4.764 -1.805 1.00 0.00 C ATOM 1100 O ILE A 61 8.584 -3.600 -1.408 1.00 0.00 O ATOM 1101 CB ILE A 61 8.662 -6.466 0.011 1.00 0.00 C ATOM 1102 CG1 ILE A 61 8.118 -7.818 0.496 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.809 -5.510 1.184 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.606 -7.934 0.477 1.00 0.00 C ATOM 0 H ILE A 61 7.469 -7.774 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 61 6.897 -5.388 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 61 9.638 -6.652 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.538 -8.608 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.470 -7.993 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.445 -5.963 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.261 -4.579 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.827 -5.301 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.312 -8.921 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.174 -7.170 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.243 -7.795 -0.541 1.00 0.00 H new ATOM 1116 N GLN A 62 9.213 -5.173 -2.891 1.00 0.00 N ATOM 1117 CA GLN A 62 10.003 -4.255 -3.696 1.00 0.00 C ATOM 1118 C GLN A 62 9.078 -3.359 -4.505 1.00 0.00 C ATOM 1119 O GLN A 62 9.445 -2.247 -4.884 1.00 0.00 O ATOM 1120 CB GLN A 62 10.941 -5.025 -4.627 1.00 0.00 C ATOM 1121 CG GLN A 62 12.233 -5.468 -3.958 1.00 0.00 C ATOM 1122 CD GLN A 62 13.466 -5.060 -4.742 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.432 -4.112 -5.528 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.565 -5.776 -4.531 1.00 0.00 N ATOM 0 H GLN A 62 9.205 -6.134 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 62 10.611 -3.639 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.420 -5.903 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.182 -4.398 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.285 -5.039 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.224 -6.552 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.548 -6.553 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.425 -5.548 -5.029 1.00 0.00 H new ATOM 1133 N ASP A 63 7.866 -3.848 -4.757 1.00 0.00 N ATOM 1134 CA ASP A 63 6.879 -3.087 -5.504 1.00 0.00 C ATOM 1135 C ASP A 63 6.131 -2.143 -4.571 1.00 0.00 C ATOM 1136 O ASP A 63 5.709 -1.057 -4.970 1.00 0.00 O ATOM 1137 CB ASP A 63 5.893 -4.028 -6.199 1.00 0.00 C ATOM 1138 CG ASP A 63 6.370 -4.452 -7.574 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.166 -3.684 -8.537 1.00 0.00 O ATOM 1140 OD2 ASP A 63 6.948 -5.554 -7.686 1.00 0.00 O ATOM 0 H ASP A 63 7.548 -4.768 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 63 7.395 -2.500 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.742 -4.913 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.926 -3.534 -6.289 1.00 0.00 H new ATOM 1145 N PHE A 64 5.978 -2.569 -3.322 1.00 0.00 N ATOM 1146 CA PHE A 64 5.289 -1.775 -2.315 1.00 0.00 C ATOM 1147 C PHE A 64 6.219 -0.699 -1.753 1.00 0.00 C ATOM 1148 O PHE A 64 5.772 0.378 -1.358 1.00 0.00 O ATOM 1149 CB PHE A 64 4.773 -2.695 -1.195 1.00 0.00 C ATOM 1150 CG PHE A 64 5.047 -2.200 0.198 1.00 0.00 C ATOM 1151 CD1 PHE A 64 4.183 -1.311 0.814 1.00 0.00 C ATOM 1152 CD2 PHE A 64 6.169 -2.628 0.888 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.433 -0.856 2.095 1.00 0.00 C ATOM 1154 CE2 PHE A 64 6.425 -2.177 2.169 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.556 -1.290 2.774 1.00 0.00 C ATOM 0 H PHE A 64 6.325 -3.466 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 64 4.438 -1.273 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.697 -2.824 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.227 -3.679 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.304 -0.969 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.851 -3.322 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.752 -0.162 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.304 -2.518 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.754 -0.936 3.775 1.00 0.00 H new ATOM 1165 N GLN A 65 7.514 -1.002 -1.719 1.00 0.00 N ATOM 1166 CA GLN A 65 8.507 -0.066 -1.204 1.00 0.00 C ATOM 1167 C GLN A 65 8.911 0.950 -2.268 1.00 0.00 C ATOM 1168 O GLN A 65 8.936 2.155 -2.011 1.00 0.00 O ATOM 1169 CB GLN A 65 9.743 -0.822 -0.712 1.00 0.00 C ATOM 1170 CG GLN A 65 9.486 -1.666 0.526 1.00 0.00 C ATOM 1171 CD GLN A 65 10.304 -1.216 1.721 1.00 0.00 C ATOM 1172 OE1 GLN A 65 10.183 -0.078 2.177 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.142 -2.107 2.235 1.00 0.00 N ATOM 0 H GLN A 65 7.900 -1.889 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 65 8.058 0.472 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.107 -1.467 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.535 -0.105 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.427 -1.621 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.717 -2.708 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.210 -3.039 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.718 -1.860 3.040 1.00 0.00 H new ATOM 1182 N ARG A 66 9.227 0.460 -3.464 1.00 0.00 N ATOM 1183 CA ARG A 66 9.630 1.331 -4.564 1.00 0.00 C ATOM 1184 C ARG A 66 8.604 2.437 -4.791 1.00 0.00 C ATOM 1185 O ARG A 66 8.951 3.548 -5.192 1.00 0.00 O ATOM 1186 CB ARG A 66 9.809 0.521 -5.849 1.00 0.00 C ATOM 1187 CG ARG A 66 11.199 -0.073 -6.007 1.00 0.00 C ATOM 1188 CD ARG A 66 11.673 -0.007 -7.449 1.00 0.00 C ATOM 1189 NE ARG A 66 12.469 1.189 -7.710 1.00 0.00 N ATOM 1190 CZ ARG A 66 13.257 1.339 -8.772 1.00 0.00 C ATOM 1191 NH1 ARG A 66 13.356 0.371 -9.675 1.00 0.00 N ATOM 1192 NH2 ARG A 66 13.946 2.460 -8.931 1.00 0.00 N ATOM 0 H ARG A 66 9.212 -0.533 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 66 10.581 1.790 -4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.075 -0.285 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.598 1.162 -6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.900 0.464 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.193 -1.110 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.265 -0.893 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.810 -0.021 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 66 12.418 1.955 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.827 -0.493 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.961 0.491 -10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.872 3.206 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.550 2.576 -9.744 1.00 0.00 H new ATOM 1206 N GLU A 67 7.340 2.124 -4.528 1.00 0.00 N ATOM 1207 CA GLU A 67 6.262 3.091 -4.703 1.00 0.00 C ATOM 1208 C GLU A 67 6.289 4.140 -3.596 1.00 0.00 C ATOM 1209 O GLU A 67 6.051 5.320 -3.842 1.00 0.00 O ATOM 1210 CB GLU A 67 4.908 2.379 -4.712 1.00 0.00 C ATOM 1211 CG GLU A 67 4.487 1.893 -6.088 1.00 0.00 C ATOM 1212 CD GLU A 67 3.058 1.384 -6.115 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.132 2.217 -6.218 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.864 0.153 -6.031 1.00 0.00 O ATOM 0 H GLU A 67 7.037 1.209 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 67 6.408 3.593 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.950 1.528 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.147 3.058 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.592 2.707 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.159 1.097 -6.409 1.00 0.00 H new ATOM 1221 N LYS A 68 6.577 3.703 -2.378 1.00 0.00 N ATOM 1222 CA LYS A 68 6.629 4.611 -1.237 1.00 0.00 C ATOM 1223 C LYS A 68 7.736 5.649 -1.401 1.00 0.00 C ATOM 1224 O LYS A 68 7.739 6.676 -0.721 1.00 0.00 O ATOM 1225 CB LYS A 68 6.839 3.821 0.057 1.00 0.00 C ATOM 1226 CG LYS A 68 5.581 3.693 0.903 1.00 0.00 C ATOM 1227 CD LYS A 68 5.808 4.191 2.322 1.00 0.00 C ATOM 1228 CE LYS A 68 6.100 5.683 2.348 1.00 0.00 C ATOM 1229 NZ LYS A 68 5.958 6.254 3.716 1.00 0.00 N ATOM 0 H LYS A 68 6.778 2.729 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 68 5.677 5.139 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.203 2.824 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.616 4.307 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.773 4.261 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.264 2.651 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.927 3.981 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.640 3.648 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.112 5.861 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.421 6.197 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.166 7.273 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.986 6.107 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.624 5.781 4.360 1.00 0.00 H new ATOM 1243 N GLN A 69 8.680 5.374 -2.292 1.00 0.00 N ATOM 1244 CA GLN A 69 9.797 6.281 -2.524 1.00 0.00 C ATOM 1245 C GLN A 69 9.595 7.131 -3.778 1.00 0.00 C ATOM 1246 O GLN A 69 10.064 8.267 -3.848 1.00 0.00 O ATOM 1247 CB GLN A 69 11.091 5.480 -2.641 1.00 0.00 C ATOM 1248 CG GLN A 69 12.326 6.340 -2.853 1.00 0.00 C ATOM 1249 CD GLN A 69 13.507 5.544 -3.376 1.00 0.00 C ATOM 1250 OE1 GLN A 69 14.080 4.721 -2.663 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.876 5.787 -4.628 1.00 0.00 N ATOM 0 H GLN A 69 8.695 4.531 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 69 9.855 6.961 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.223 4.887 -1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.000 4.779 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.091 7.140 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.601 6.814 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.372 6.478 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.664 5.282 -5.035 1.00 0.00 H new ATOM 1260 N GLU A 70 8.920 6.576 -4.778 1.00 0.00 N ATOM 1261 CA GLU A 70 8.693 7.296 -6.028 1.00 0.00 C ATOM 1262 C GLU A 70 7.288 7.895 -6.107 1.00 0.00 C ATOM 1263 O GLU A 70 7.078 8.907 -6.775 1.00 0.00 O ATOM 1264 CB GLU A 70 8.929 6.366 -7.221 1.00 0.00 C ATOM 1265 CG GLU A 70 10.063 6.819 -8.128 1.00 0.00 C ATOM 1266 CD GLU A 70 11.141 5.766 -8.290 1.00 0.00 C ATOM 1267 OE1 GLU A 70 11.640 5.263 -7.262 1.00 0.00 O ATOM 1268 OE2 GLU A 70 11.486 5.442 -9.446 1.00 0.00 O ATOM 0 H GLU A 70 8.523 5.637 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 70 9.403 8.122 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.147 5.364 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.012 6.298 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.659 7.073 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.507 7.728 -7.721 1.00 0.00 H new ATOM 1275 N PHE A 71 6.328 7.259 -5.445 1.00 0.00 N ATOM 1276 CA PHE A 71 4.943 7.729 -5.472 1.00 0.00 C ATOM 1277 C PHE A 71 4.576 8.516 -4.212 1.00 0.00 C ATOM 1278 O PHE A 71 3.627 9.299 -4.220 1.00 0.00 O ATOM 1279 CB PHE A 71 3.994 6.536 -5.644 1.00 0.00 C ATOM 1280 CG PHE A 71 2.537 6.882 -5.498 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.979 7.065 -4.242 1.00 0.00 C ATOM 1282 CD2 PHE A 71 1.728 7.018 -6.614 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.641 7.380 -4.104 1.00 0.00 C ATOM 1284 CE2 PHE A 71 0.389 7.332 -6.482 1.00 0.00 C ATOM 1285 CZ PHE A 71 -0.154 7.513 -5.224 1.00 0.00 C ATOM 0 H PHE A 71 6.480 6.420 -4.885 1.00 0.00 H new ATOM 0 HA PHE A 71 4.840 8.408 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.155 6.097 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.250 5.773 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.597 6.960 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.149 6.877 -7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.218 7.522 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.232 7.436 -7.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.200 7.758 -5.118 1.00 0.00 H new ATOM 1295 N GLU A 72 5.305 8.296 -3.127 1.00 0.00 N ATOM 1296 CA GLU A 72 5.019 8.986 -1.872 1.00 0.00 C ATOM 1297 C GLU A 72 5.963 10.164 -1.632 1.00 0.00 C ATOM 1298 O GLU A 72 5.524 11.273 -1.332 1.00 0.00 O ATOM 1299 CB GLU A 72 5.102 8.003 -0.705 1.00 0.00 C ATOM 1300 CG GLU A 72 3.804 7.878 0.078 1.00 0.00 C ATOM 1301 CD GLU A 72 3.794 8.730 1.331 1.00 0.00 C ATOM 1302 OE1 GLU A 72 4.246 9.894 1.262 1.00 0.00 O ATOM 1303 OE2 GLU A 72 3.334 8.236 2.381 1.00 0.00 O ATOM 0 H GLU A 72 6.094 7.651 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 72 4.008 9.388 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.382 7.021 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.896 8.321 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.970 8.168 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.648 6.834 0.352 1.00 0.00 H new ATOM 1310 N ARG A 73 7.261 9.904 -1.739 1.00 0.00 N ATOM 1311 CA ARG A 73 8.280 10.924 -1.506 1.00 0.00 C ATOM 1312 C ARG A 73 7.942 12.264 -2.169 1.00 0.00 C ATOM 1313 O ARG A 73 7.590 13.225 -1.485 1.00 0.00 O ATOM 1314 CB ARG A 73 9.642 10.426 -1.994 1.00 0.00 C ATOM 1315 CG ARG A 73 10.791 10.780 -1.065 1.00 0.00 C ATOM 1316 CD ARG A 73 11.987 9.868 -1.288 1.00 0.00 C ATOM 1317 NE ARG A 73 13.075 10.151 -0.354 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.114 9.701 0.899 1.00 0.00 C ATOM 1319 NH1 ARG A 73 12.127 8.951 1.374 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.141 10.005 1.680 1.00 0.00 N ATOM 0 H ARG A 73 7.636 8.989 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 73 8.313 11.101 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.602 9.343 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.841 10.847 -2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.087 11.816 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.460 10.702 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.676 8.829 -1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.347 9.986 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 73 13.850 10.727 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.333 8.716 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.163 8.609 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.901 10.583 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.171 9.661 2.640 1.00 0.00 H new ATOM 1334 N ASN A 74 8.077 12.336 -3.491 1.00 0.00 N ATOM 1335 CA ASN A 74 7.810 13.577 -4.215 1.00 0.00 C ATOM 1336 C ASN A 74 6.431 13.581 -4.870 1.00 0.00 C ATOM 1337 O ASN A 74 5.683 14.551 -4.745 1.00 0.00 O ATOM 1338 CB ASN A 74 8.888 13.806 -5.277 1.00 0.00 C ATOM 1339 CG ASN A 74 10.068 14.592 -4.742 1.00 0.00 C ATOM 1340 OD1 ASN A 74 11.176 14.069 -4.625 1.00 0.00 O ATOM 1341 ND2 ASN A 74 9.835 15.859 -4.413 1.00 0.00 N ATOM 0 H ASN A 74 8.368 11.556 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 74 7.829 14.387 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.236 12.843 -5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.454 14.339 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.591 16.438 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.901 16.252 -4.526 1.00 0.00 H new ATOM 1348 N LEU A 75 6.108 12.506 -5.583 1.00 0.00 N ATOM 1349 CA LEU A 75 4.823 12.396 -6.276 1.00 0.00 C ATOM 1350 C LEU A 75 3.664 12.913 -5.424 1.00 0.00 C ATOM 1351 O LEU A 75 2.988 13.871 -5.797 1.00 0.00 O ATOM 1352 CB LEU A 75 4.563 10.945 -6.678 1.00 0.00 C ATOM 1353 CG LEU A 75 3.867 10.759 -8.026 1.00 0.00 C ATOM 1354 CD1 LEU A 75 3.619 9.284 -8.295 1.00 0.00 C ATOM 1355 CD2 LEU A 75 2.561 11.535 -8.059 1.00 0.00 C ATOM 0 H LEU A 75 6.718 11.696 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 75 4.882 13.019 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.515 10.415 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.956 10.474 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 75 4.518 11.147 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.123 9.168 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.570 8.752 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.986 8.872 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.077 11.392 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.904 11.175 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.764 12.595 -7.908 1.00 0.00 H new ATOM 1367 N ALA A 76 3.432 12.270 -4.285 1.00 0.00 N ATOM 1368 CA ALA A 76 2.348 12.670 -3.393 1.00 0.00 C ATOM 1369 C ALA A 76 2.583 14.066 -2.813 1.00 0.00 C ATOM 1370 O ALA A 76 1.666 14.682 -2.270 1.00 0.00 O ATOM 1371 CB ALA A 76 2.180 11.650 -2.276 1.00 0.00 C ATOM 0 H ALA A 76 3.977 11.472 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 76 1.430 12.707 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.368 11.961 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.946 10.676 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.105 11.582 -1.703 1.00 0.00 H new ATOM 1377 N ARG A 77 3.813 14.562 -2.930 1.00 0.00 N ATOM 1378 CA ARG A 77 4.157 15.883 -2.414 1.00 0.00 C ATOM 1379 C ARG A 77 4.030 16.959 -3.496 1.00 0.00 C ATOM 1380 O ARG A 77 4.290 18.134 -3.242 1.00 0.00 O ATOM 1381 CB ARG A 77 5.580 15.877 -1.850 1.00 0.00 C ATOM 1382 CG ARG A 77 5.711 16.607 -0.524 1.00 0.00 C ATOM 1383 CD ARG A 77 5.647 18.114 -0.709 1.00 0.00 C ATOM 1384 NE ARG A 77 5.935 18.832 0.531 1.00 0.00 N ATOM 1385 CZ ARG A 77 7.163 19.027 1.006 1.00 0.00 C ATOM 1386 NH1 ARG A 77 8.220 18.563 0.349 1.00 0.00 N ATOM 1387 NH2 ARG A 77 7.337 19.690 2.142 1.00 0.00 N ATOM 0 H ARG A 77 4.586 14.069 -3.377 1.00 0.00 H new ATOM 0 HA ARG A 77 3.453 16.121 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.907 14.845 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.252 16.336 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.915 16.288 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.655 16.337 -0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.360 18.415 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.656 18.393 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 77 5.149 19.205 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.094 18.054 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.158 18.716 0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.530 20.050 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.278 19.840 2.506 1.00 0.00 H new ATOM 1401 N PHE A 78 3.634 16.553 -4.702 1.00 0.00 N ATOM 1402 CA PHE A 78 3.484 17.490 -5.811 1.00 0.00 C ATOM 1403 C PHE A 78 2.327 18.465 -5.579 1.00 0.00 C ATOM 1404 O PHE A 78 2.166 19.430 -6.326 1.00 0.00 O ATOM 1405 CB PHE A 78 3.267 16.728 -7.120 1.00 0.00 C ATOM 1406 CG PHE A 78 4.135 17.213 -8.246 1.00 0.00 C ATOM 1407 CD1 PHE A 78 5.516 17.164 -8.145 1.00 0.00 C ATOM 1408 CD2 PHE A 78 3.569 17.717 -9.406 1.00 0.00 C ATOM 1409 CE1 PHE A 78 6.317 17.611 -9.179 1.00 0.00 C ATOM 1410 CE2 PHE A 78 4.365 18.164 -10.445 1.00 0.00 C ATOM 1411 CZ PHE A 78 5.741 18.111 -10.331 1.00 0.00 C ATOM 0 H PHE A 78 3.412 15.585 -4.934 1.00 0.00 H new ATOM 0 HA PHE A 78 4.403 18.072 -5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.462 15.669 -6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.221 16.817 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.972 16.772 -7.248 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.494 17.761 -9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.392 17.569 -9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.912 18.554 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.365 18.460 -11.141 1.00 0.00 H new ATOM 1421 N ARG A 79 1.522 18.210 -4.547 1.00 0.00 N ATOM 1422 CA ARG A 79 0.383 19.070 -4.229 1.00 0.00 C ATOM 1423 C ARG A 79 0.771 20.548 -4.247 1.00 0.00 C ATOM 1424 O ARG A 79 -0.069 21.413 -4.491 1.00 0.00 O ATOM 1425 CB ARG A 79 -0.190 18.700 -2.859 1.00 0.00 C ATOM 1426 CG ARG A 79 -1.696 18.881 -2.762 1.00 0.00 C ATOM 1427 CD ARG A 79 -2.100 19.494 -1.430 1.00 0.00 C ATOM 1428 NE ARG A 79 -2.152 20.953 -1.493 1.00 0.00 N ATOM 1429 CZ ARG A 79 -2.821 21.709 -0.625 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -3.494 21.148 0.374 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -2.819 23.028 -0.756 1.00 0.00 N ATOM 0 H ARG A 79 1.638 17.416 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.375 18.912 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.058 17.662 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.291 19.311 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.040 19.519 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.188 17.916 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.076 19.109 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.391 19.189 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.646 21.419 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.500 20.133 0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.005 21.732 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.305 23.464 -1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.332 23.607 -0.091 1.00 0.00 H new ATOM 1445 N GLU A 80 2.044 20.832 -3.985 1.00 0.00 N ATOM 1446 CA GLU A 80 2.539 22.208 -3.970 1.00 0.00 C ATOM 1447 C GLU A 80 2.053 22.986 -5.192 1.00 0.00 C ATOM 1448 O GLU A 80 1.560 24.107 -5.069 1.00 0.00 O ATOM 1449 CB GLU A 80 4.069 22.219 -3.922 1.00 0.00 C ATOM 1450 CG GLU A 80 4.632 22.277 -2.512 1.00 0.00 C ATOM 1451 CD GLU A 80 4.178 23.508 -1.753 1.00 0.00 C ATOM 1452 OE1 GLU A 80 4.625 24.620 -2.106 1.00 0.00 O ATOM 1453 OE2 GLU A 80 3.377 23.361 -0.806 1.00 0.00 O ATOM 0 H GLU A 80 2.753 20.128 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 80 2.146 22.695 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.446 21.325 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.436 23.076 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.326 21.385 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.721 22.265 -2.559 1.00 0.00 H new ATOM 1460 N ASP A 81 2.195 22.382 -6.368 1.00 0.00 N ATOM 1461 CA ASP A 81 1.769 23.017 -7.609 1.00 0.00 C ATOM 1462 C ASP A 81 0.597 22.265 -8.231 1.00 0.00 C ATOM 1463 O ASP A 81 0.357 21.100 -7.915 1.00 0.00 O ATOM 1464 CB ASP A 81 2.932 23.081 -8.600 1.00 0.00 C ATOM 1465 CG ASP A 81 3.463 21.706 -8.957 1.00 0.00 C ATOM 1466 OD1 ASP A 81 4.136 21.090 -8.103 1.00 0.00 O ATOM 1467 OD2 ASP A 81 3.207 21.246 -10.090 1.00 0.00 O ATOM 0 H ASP A 81 2.602 21.454 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 81 1.444 24.031 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.605 23.588 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.737 23.679 -8.173 1.00 0.00 H new ATOM 1472 N HIS A 82 -0.132 22.938 -9.117 1.00 0.00 N ATOM 1473 CA HIS A 82 -1.278 22.331 -9.782 1.00 0.00 C ATOM 1474 C HIS A 82 -1.877 23.285 -10.815 1.00 0.00 C ATOM 1475 O HIS A 82 -2.839 23.998 -10.529 1.00 0.00 O ATOM 1476 CB HIS A 82 -2.341 21.936 -8.752 1.00 0.00 C ATOM 1477 CG HIS A 82 -2.682 20.478 -8.772 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -3.808 19.960 -8.169 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -2.038 19.425 -9.329 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -3.842 18.652 -8.353 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -2.779 18.302 -9.054 1.00 0.00 N ATOM 0 H HIS A 82 0.051 23.903 -9.390 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.935 21.435 -10.300 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.988 22.204 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.246 22.515 -8.936 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.506 20.502 -7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.113 19.462 -9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.609 17.983 -7.992 1.00 0.00 H new ATOM 1490 N PRO A 83 -1.314 23.307 -12.035 1.00 0.00 N ATOM 1491 CA PRO A 83 -1.797 24.179 -13.111 1.00 0.00 C ATOM 1492 C PRO A 83 -3.270 23.946 -13.427 1.00 0.00 C ATOM 1493 O PRO A 83 -4.100 24.840 -13.260 1.00 0.00 O ATOM 1494 CB PRO A 83 -0.925 23.792 -14.312 1.00 0.00 C ATOM 1495 CG PRO A 83 0.293 23.172 -13.719 1.00 0.00 C ATOM 1496 CD PRO A 83 -0.163 22.490 -12.460 1.00 0.00 C ATOM 0 HA PRO A 83 -1.725 25.232 -12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.444 23.093 -14.968 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.671 24.665 -14.913 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.743 22.458 -14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.049 23.926 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.450 21.455 -12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.621 22.474 -11.703 1.00 0.00 H new ATOM 1504 N ASP A 84 -3.588 22.739 -13.885 1.00 0.00 N ATOM 1505 CA ASP A 84 -4.961 22.386 -14.224 1.00 0.00 C ATOM 1506 C ASP A 84 -5.273 20.952 -13.805 1.00 0.00 C ATOM 1507 O ASP A 84 -4.414 20.253 -13.268 1.00 0.00 O ATOM 1508 CB ASP A 84 -5.197 22.556 -15.727 1.00 0.00 C ATOM 1509 CG ASP A 84 -6.474 23.317 -16.029 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -6.547 24.514 -15.685 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -7.401 22.714 -16.611 1.00 0.00 O ATOM 0 H ASP A 84 -2.912 21.989 -14.030 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.628 23.056 -13.681 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.351 23.083 -16.168 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.242 21.574 -16.198 1.00 0.00 H new ATOM 1516 N LEU A 85 -6.506 20.522 -14.052 1.00 0.00 N ATOM 1517 CA LEU A 85 -6.928 19.172 -13.698 1.00 0.00 C ATOM 1518 C LEU A 85 -6.786 18.933 -12.199 1.00 0.00 C ATOM 1519 O LEU A 85 -5.682 18.736 -11.695 1.00 0.00 O ATOM 1520 CB LEU A 85 -6.107 18.139 -14.473 1.00 0.00 C ATOM 1521 CG LEU A 85 -6.710 17.697 -15.807 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -5.696 16.902 -16.615 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -7.970 16.876 -15.574 1.00 0.00 C ATOM 0 H LEU A 85 -7.229 21.088 -14.495 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.979 19.064 -13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.116 18.552 -14.660 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.972 17.259 -13.844 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.978 18.587 -16.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.144 16.596 -17.561 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.821 17.521 -16.811 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.396 16.018 -16.053 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.387 16.569 -16.533 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.725 15.992 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.702 17.478 -15.036 1.00 0.00 H new ATOM 1535 N ILE A 86 -7.912 18.951 -11.492 1.00 0.00 N ATOM 1536 CA ILE A 86 -7.911 18.737 -10.051 1.00 0.00 C ATOM 1537 C ILE A 86 -8.251 17.290 -9.708 1.00 0.00 C ATOM 1538 O ILE A 86 -7.790 16.754 -8.702 1.00 0.00 O ATOM 1539 CB ILE A 86 -8.910 19.676 -9.342 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -8.800 19.524 -7.824 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -10.331 19.395 -9.808 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -8.870 20.839 -7.078 1.00 0.00 C ATOM 0 H ILE A 86 -8.835 19.112 -11.894 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.904 18.961 -9.698 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.662 20.705 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.601 18.873 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.859 19.029 -7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -11.021 20.067 -9.297 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -10.399 19.554 -10.884 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.592 18.362 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.786 20.655 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.053 21.484 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.822 21.326 -7.288 1.00 0.00 H new ATOM 1554 N GLN A 87 -9.063 16.661 -10.553 1.00 0.00 N ATOM 1555 CA GLN A 87 -9.464 15.276 -10.339 1.00 0.00 C ATOM 1556 C GLN A 87 -8.275 14.334 -10.502 1.00 0.00 C ATOM 1557 O GLN A 87 -7.198 14.748 -10.930 1.00 0.00 O ATOM 1558 CB GLN A 87 -10.576 14.886 -11.316 1.00 0.00 C ATOM 1559 CG GLN A 87 -11.623 13.967 -10.711 1.00 0.00 C ATOM 1560 CD GLN A 87 -12.863 13.848 -11.574 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -12.939 12.995 -12.459 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -13.845 14.705 -11.320 1.00 0.00 N ATOM 0 H GLN A 87 -9.455 17.089 -11.392 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.839 15.187 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.064 15.791 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.132 14.396 -12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.191 12.977 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.904 14.341 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.740 15.396 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.705 14.672 -11.868 1.00 0.00 H new ATOM 1571 N ASN A 88 -8.479 13.066 -10.161 1.00 0.00 N ATOM 1572 CA ASN A 88 -7.423 12.067 -10.271 1.00 0.00 C ATOM 1573 C ASN A 88 -7.251 11.615 -11.720 1.00 0.00 C ATOM 1574 O ASN A 88 -6.296 12.006 -12.391 1.00 0.00 O ATOM 1575 CB ASN A 88 -7.735 10.863 -9.376 1.00 0.00 C ATOM 1576 CG ASN A 88 -6.645 9.810 -9.418 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -5.738 9.871 -10.248 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -6.727 8.837 -8.518 1.00 0.00 N ATOM 0 H ASN A 88 -9.365 12.706 -9.806 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.489 12.521 -9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.868 11.203 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.679 10.417 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.021 8.101 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.496 8.825 -7.848 1.00 0.00 H new ATOM 1585 N ALA A 89 -8.181 10.793 -12.197 1.00 0.00 N ATOM 1586 CA ALA A 89 -8.129 10.293 -13.565 1.00 0.00 C ATOM 1587 C ALA A 89 -9.456 9.655 -13.964 1.00 0.00 C ATOM 1588 O ALA A 89 -10.454 9.782 -13.257 1.00 0.00 O ATOM 1589 CB ALA A 89 -6.994 9.294 -13.720 1.00 0.00 C ATOM 0 H ALA A 89 -8.979 10.460 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.946 11.138 -14.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.968 8.929 -14.747 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.047 9.779 -13.483 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.152 8.456 -13.041 1.00 0.00 H new ATOM 1595 N LYS A 90 -9.458 8.968 -15.103 1.00 0.00 N ATOM 1596 CA LYS A 90 -10.662 8.310 -15.595 1.00 0.00 C ATOM 1597 C LYS A 90 -11.771 9.327 -15.853 1.00 0.00 C ATOM 1598 O LYS A 90 -12.952 9.027 -15.684 1.00 0.00 O ATOM 1599 CB LYS A 90 -11.141 7.260 -14.591 1.00 0.00 C ATOM 1600 CG LYS A 90 -11.775 6.039 -15.241 1.00 0.00 C ATOM 1601 CD LYS A 90 -13.237 5.883 -14.845 1.00 0.00 C ATOM 1602 CE LYS A 90 -14.166 6.199 -16.006 1.00 0.00 C ATOM 1603 NZ LYS A 90 -15.583 6.325 -15.565 1.00 0.00 N ATOM 0 H LYS A 90 -8.640 8.853 -15.701 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.418 7.818 -16.537 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.295 6.939 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.864 7.718 -13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.699 6.124 -16.325 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.223 5.145 -14.952 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.415 4.864 -14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.461 6.545 -14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.850 7.127 -16.482 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.088 5.413 -16.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.184 6.541 -16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.893 5.431 -15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.662 7.092 -14.867 1.00 0.00 H new ATOM 1617 N LYS A 91 -11.381 10.529 -16.263 1.00 0.00 N ATOM 1618 CA LYS A 91 -12.341 11.590 -16.544 1.00 0.00 C ATOM 1619 C LYS A 91 -11.638 12.837 -17.068 1.00 0.00 C ATOM 1620 O LYS A 91 -10.597 13.215 -16.489 1.00 0.00 O ATOM 1621 CB LYS A 91 -13.141 11.931 -15.282 1.00 0.00 C ATOM 1622 CG LYS A 91 -14.639 12.023 -15.518 1.00 0.00 C ATOM 1623 CD LYS A 91 -15.412 11.952 -14.211 1.00 0.00 C ATOM 1624 CE LYS A 91 -16.906 12.133 -14.437 1.00 0.00 C ATOM 1625 NZ LYS A 91 -17.713 11.266 -13.536 1.00 0.00 N ATOM 0 H LYS A 91 -10.406 10.793 -16.408 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.025 11.232 -17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.947 11.173 -14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.786 12.881 -14.882 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.872 12.957 -16.030 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.956 11.213 -16.174 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.229 10.991 -13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.050 12.722 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.174 13.177 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.147 11.902 -15.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.725 11.419 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.476 10.268 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.503 11.504 -12.546 1.00 0.00 H new TER 1639 LYS A 91