USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 821 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 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -0.274 K(o=-0.47,f=-5.5!) USER MOD Set 2.2: A 82 TYR OH : rot -6:sc= -0.194 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.39) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -0.116 (180deg=-1.51) USER MOD Single : A 36 GLN : amide:sc= -0.072 K(o=-0.072,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 42 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0616 K(o=-0.062,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 106:sc= -2.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.7!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -143:sc= -4.07 (180deg=-9.72!) USER MOD Single : A 72 TYR OH : rot 14:sc= 0.0358 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.3!) USER MOD Single : A 88 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.509 -23.468 6.980 1.00 0.00 N ATOM 2 CA GLY A 1 -14.885 -22.193 7.430 1.00 0.00 C ATOM 3 C GLY A 1 -13.406 -22.124 7.105 1.00 0.00 C ATOM 4 O GLY A 1 -12.680 -23.103 7.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.520 -23.465 7.225 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.403 -23.562 5.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.041 -24.269 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.397 -21.355 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.023 -22.085 8.506 1.00 0.00 H new ATOM 10 N SER A 2 -12.959 -20.964 6.635 1.00 0.00 N ATOM 11 CA SER A 2 -11.556 -20.771 6.285 1.00 0.00 C ATOM 12 C SER A 2 -10.725 -20.458 7.525 1.00 0.00 C ATOM 13 O SER A 2 -10.860 -19.388 8.121 1.00 0.00 O ATOM 14 CB SER A 2 -11.415 -19.642 5.263 1.00 0.00 C ATOM 15 OG SER A 2 -12.480 -19.663 4.328 1.00 0.00 O ATOM 0 H SER A 2 -13.547 -20.144 6.488 1.00 0.00 H new ATOM 0 HA SER A 2 -11.185 -21.697 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.398 -18.681 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.465 -19.739 4.738 1.00 0.00 H new ATOM 0 HG SER A 2 -12.367 -18.930 3.687 1.00 0.00 H new ATOM 21 N SER A 3 -9.865 -21.396 7.908 1.00 0.00 N ATOM 22 CA SER A 3 -9.012 -21.220 9.078 1.00 0.00 C ATOM 23 C SER A 3 -7.540 -21.211 8.680 1.00 0.00 C ATOM 24 O SER A 3 -6.952 -22.259 8.414 1.00 0.00 O ATOM 25 CB SER A 3 -9.271 -22.332 10.096 1.00 0.00 C ATOM 26 OG SER A 3 -8.950 -21.907 11.409 1.00 0.00 O ATOM 0 H SER A 3 -9.740 -22.286 7.425 1.00 0.00 H new ATOM 0 HA SER A 3 -9.253 -20.259 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.318 -22.632 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.678 -23.210 9.839 1.00 0.00 H new ATOM 0 HG SER A 3 -9.126 -22.635 12.041 1.00 0.00 H new ATOM 32 N GLY A 4 -6.950 -20.022 8.642 1.00 0.00 N ATOM 33 CA GLY A 4 -5.551 -19.899 8.277 1.00 0.00 C ATOM 34 C GLY A 4 -5.357 -19.673 6.791 1.00 0.00 C ATOM 35 O GLY A 4 -4.619 -20.408 6.135 1.00 0.00 O ATOM 0 H GLY A 4 -7.416 -19.140 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.106 -19.070 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.020 -20.803 8.576 1.00 0.00 H new ATOM 39 N SER A 5 -6.023 -18.654 6.256 1.00 0.00 N ATOM 40 CA SER A 5 -5.921 -18.334 4.837 1.00 0.00 C ATOM 41 C SER A 5 -5.166 -17.025 4.629 1.00 0.00 C ATOM 42 O SER A 5 -5.021 -16.226 5.554 1.00 0.00 O ATOM 43 CB SER A 5 -7.315 -18.237 4.213 1.00 0.00 C ATOM 44 OG SER A 5 -7.891 -19.522 4.052 1.00 0.00 O ATOM 0 H SER A 5 -6.639 -18.036 6.784 1.00 0.00 H new ATOM 0 HA SER A 5 -5.367 -19.135 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.958 -17.623 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.250 -17.740 3.245 1.00 0.00 H new ATOM 0 HG SER A 5 -8.706 -19.450 3.512 1.00 0.00 H new ATOM 50 N SER A 6 -4.689 -16.811 3.407 1.00 0.00 N ATOM 51 CA SER A 6 -3.949 -15.599 3.076 1.00 0.00 C ATOM 52 C SER A 6 -3.820 -15.435 1.566 1.00 0.00 C ATOM 53 O SER A 6 -2.866 -15.920 0.957 1.00 0.00 O ATOM 54 CB SER A 6 -2.561 -15.633 3.718 1.00 0.00 C ATOM 55 OG SER A 6 -1.819 -14.471 3.391 1.00 0.00 O ATOM 0 H SER A 6 -4.802 -17.462 2.630 1.00 0.00 H new ATOM 0 HA SER A 6 -4.503 -14.746 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.660 -15.713 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.023 -16.519 3.381 1.00 0.00 H new ATOM 0 HG SER A 6 -0.936 -14.516 3.815 1.00 0.00 H new ATOM 61 N GLY A 7 -4.786 -14.749 0.965 1.00 0.00 N ATOM 62 CA GLY A 7 -4.762 -14.532 -0.469 1.00 0.00 C ATOM 63 C GLY A 7 -4.244 -13.157 -0.841 1.00 0.00 C ATOM 64 O GLY A 7 -4.626 -12.600 -1.870 1.00 0.00 O ATOM 0 H GLY A 7 -5.586 -14.339 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.136 -15.291 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.768 -14.658 -0.869 1.00 0.00 H new ATOM 68 N VAL A 8 -3.373 -12.608 0.000 1.00 0.00 N ATOM 69 CA VAL A 8 -2.803 -11.289 -0.244 1.00 0.00 C ATOM 70 C VAL A 8 -1.601 -11.375 -1.179 1.00 0.00 C ATOM 71 O VAL A 8 -1.329 -10.450 -1.944 1.00 0.00 O ATOM 72 CB VAL A 8 -2.370 -10.609 1.068 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.030 -9.146 0.827 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.455 -10.744 2.125 1.00 0.00 C ATOM 0 H VAL A 8 -3.047 -13.057 0.856 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.584 -10.690 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.474 -11.110 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.726 -8.684 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.214 -9.076 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.905 -8.629 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.130 -10.257 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.371 -10.272 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.643 -11.800 2.320 1.00 0.00 H new ATOM 84 N SER A 9 -0.885 -12.492 -1.112 1.00 0.00 N ATOM 85 CA SER A 9 0.290 -12.700 -1.952 1.00 0.00 C ATOM 86 C SER A 9 -0.102 -12.776 -3.423 1.00 0.00 C ATOM 87 O SER A 9 0.656 -12.360 -4.300 1.00 0.00 O ATOM 88 CB SER A 9 1.018 -13.980 -1.538 1.00 0.00 C ATOM 89 OG SER A 9 2.424 -13.815 -1.616 1.00 0.00 O ATOM 0 H SER A 9 -1.097 -13.268 -0.485 1.00 0.00 H new ATOM 0 HA SER A 9 0.959 -11.851 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.736 -14.249 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.709 -14.803 -2.183 1.00 0.00 H new ATOM 0 HG SER A 9 2.866 -14.646 -1.345 1.00 0.00 H new ATOM 95 N GLN A 10 -1.289 -13.311 -3.689 1.00 0.00 N ATOM 96 CA GLN A 10 -1.782 -13.442 -5.054 1.00 0.00 C ATOM 97 C GLN A 10 -2.154 -12.080 -5.632 1.00 0.00 C ATOM 98 O GLN A 10 -1.890 -11.798 -6.800 1.00 0.00 O ATOM 99 CB GLN A 10 -2.995 -14.373 -5.094 1.00 0.00 C ATOM 100 CG GLN A 10 -2.637 -15.846 -4.967 1.00 0.00 C ATOM 101 CD GLN A 10 -3.382 -16.715 -5.961 1.00 0.00 C ATOM 102 OE1 GLN A 10 -3.484 -16.379 -7.141 1.00 0.00 O ATOM 103 NE2 GLN A 10 -3.906 -17.840 -5.488 1.00 0.00 N ATOM 0 H GLN A 10 -1.928 -13.661 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.984 -13.869 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.677 -14.103 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.531 -14.217 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.564 -15.969 -5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.860 -16.184 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.797 -18.079 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.418 -18.465 -6.110 1.00 0.00 H new ATOM 112 N ARG A 11 -2.769 -11.241 -4.805 1.00 0.00 N ATOM 113 CA ARG A 11 -3.178 -9.908 -5.234 1.00 0.00 C ATOM 114 C ARG A 11 -1.976 -9.089 -5.694 1.00 0.00 C ATOM 115 O ARG A 11 -0.843 -9.353 -5.289 1.00 0.00 O ATOM 116 CB ARG A 11 -3.899 -9.184 -4.095 1.00 0.00 C ATOM 117 CG ARG A 11 -5.233 -9.809 -3.722 1.00 0.00 C ATOM 118 CD ARG A 11 -6.193 -9.817 -4.901 1.00 0.00 C ATOM 119 NE ARG A 11 -7.498 -10.368 -4.541 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.440 -9.682 -3.899 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.229 -8.420 -3.544 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.599 -10.259 -3.611 1.00 0.00 N ATOM 0 H ARG A 11 -2.995 -11.460 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.861 -10.018 -6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.254 -9.174 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.062 -8.145 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.073 -10.830 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.676 -9.256 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.319 -8.800 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.764 -10.403 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.698 -11.335 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.340 -7.970 -3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.956 -7.900 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.768 -11.228 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.322 -9.734 -3.119 1.00 0.00 H new ATOM 136 N PRO A 12 -2.207 -8.078 -6.550 1.00 0.00 N ATOM 137 CA PRO A 12 -1.135 -7.217 -7.064 1.00 0.00 C ATOM 138 C PRO A 12 -0.401 -6.482 -5.948 1.00 0.00 C ATOM 139 O PRO A 12 -0.934 -6.302 -4.853 1.00 0.00 O ATOM 140 CB PRO A 12 -1.868 -6.221 -7.971 1.00 0.00 C ATOM 141 CG PRO A 12 -3.297 -6.286 -7.553 1.00 0.00 C ATOM 142 CD PRO A 12 -3.524 -7.693 -7.081 1.00 0.00 C ATOM 0 HA PRO A 12 -0.368 -7.792 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.469 -5.214 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.753 -6.488 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.505 -5.569 -6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.959 -6.041 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.298 -7.742 -6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.838 -8.346 -7.895 1.00 0.00 H new ATOM 150 N PHE A 13 0.826 -6.061 -6.234 1.00 0.00 N ATOM 151 CA PHE A 13 1.636 -5.345 -5.253 1.00 0.00 C ATOM 152 C PHE A 13 1.067 -3.957 -4.982 1.00 0.00 C ATOM 153 O PHE A 13 1.202 -3.426 -3.880 1.00 0.00 O ATOM 154 CB PHE A 13 3.082 -5.230 -5.744 1.00 0.00 C ATOM 155 CG PHE A 13 4.027 -4.702 -4.704 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.537 -5.539 -3.724 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.406 -3.369 -4.706 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.408 -5.056 -2.766 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.276 -2.880 -3.750 1.00 0.00 C ATOM 160 CZ PHE A 13 5.778 -3.725 -2.778 1.00 0.00 C ATOM 0 H PHE A 13 1.282 -6.202 -7.135 1.00 0.00 H new ATOM 0 HA PHE A 13 1.618 -5.911 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.426 -6.211 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.111 -4.576 -6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.251 -6.580 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.017 -2.705 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.799 -5.719 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.563 -1.839 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.458 -3.346 -2.030 1.00 0.00 H new ATOM 170 N ARG A 14 0.432 -3.375 -5.993 1.00 0.00 N ATOM 171 CA ARG A 14 -0.156 -2.046 -5.863 1.00 0.00 C ATOM 172 C ARG A 14 -1.281 -2.046 -4.832 1.00 0.00 C ATOM 173 O ARG A 14 -1.422 -1.102 -4.053 1.00 0.00 O ATOM 174 CB ARG A 14 -0.686 -1.566 -7.216 1.00 0.00 C ATOM 175 CG ARG A 14 -0.313 -0.128 -7.538 1.00 0.00 C ATOM 176 CD ARG A 14 0.018 0.046 -9.012 1.00 0.00 C ATOM 177 NE ARG A 14 0.539 1.380 -9.303 1.00 0.00 N ATOM 178 CZ ARG A 14 0.933 1.774 -10.512 1.00 0.00 C ATOM 179 NH1 ARG A 14 0.870 0.942 -11.543 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.392 3.005 -10.689 1.00 0.00 N ATOM 0 H ARG A 14 0.311 -3.802 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 14 0.622 -1.363 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.300 -2.217 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.772 -1.663 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.138 0.532 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.544 0.171 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.752 -0.703 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.877 -0.131 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 14 0.605 2.048 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.518 -0.006 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.174 1.251 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.443 3.649 -9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.694 3.308 -11.615 1.00 0.00 H new ATOM 194 N ASP A 15 -2.080 -3.107 -4.834 1.00 0.00 N ATOM 195 CA ASP A 15 -3.194 -3.228 -3.899 1.00 0.00 C ATOM 196 C ASP A 15 -2.693 -3.488 -2.482 1.00 0.00 C ATOM 197 O ASP A 15 -3.243 -2.963 -1.513 1.00 0.00 O ATOM 198 CB ASP A 15 -4.131 -4.355 -4.335 1.00 0.00 C ATOM 199 CG ASP A 15 -5.185 -3.884 -5.318 1.00 0.00 C ATOM 200 OD1 ASP A 15 -4.922 -2.904 -6.046 1.00 0.00 O ATOM 201 OD2 ASP A 15 -6.273 -4.496 -5.360 1.00 0.00 O ATOM 0 H ASP A 15 -1.978 -3.896 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.742 -2.285 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.546 -5.155 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.620 -4.777 -3.457 1.00 0.00 H new ATOM 206 N ARG A 16 -1.650 -4.303 -2.367 1.00 0.00 N ATOM 207 CA ARG A 16 -1.078 -4.635 -1.067 1.00 0.00 C ATOM 208 C ARG A 16 -0.603 -3.381 -0.341 1.00 0.00 C ATOM 209 O ARG A 16 -0.906 -3.182 0.836 1.00 0.00 O ATOM 210 CB ARG A 16 0.085 -5.614 -1.235 1.00 0.00 C ATOM 211 CG ARG A 16 -0.353 -7.066 -1.343 1.00 0.00 C ATOM 212 CD ARG A 16 0.527 -7.848 -2.306 1.00 0.00 C ATOM 213 NE ARG A 16 1.377 -8.813 -1.611 1.00 0.00 N ATOM 214 CZ ARG A 16 2.505 -8.491 -0.983 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.925 -7.232 -0.959 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.216 -9.432 -0.376 1.00 0.00 N ATOM 0 H ARG A 16 -1.183 -4.746 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.857 -5.104 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.649 -5.346 -2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.762 -5.510 -0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.318 -7.531 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.389 -7.110 -1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.101 -8.371 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.151 -7.155 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 16 1.088 -9.791 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.382 -6.504 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.791 -6.992 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.898 -10.401 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.081 -9.187 0.106 1.00 0.00 H new ATOM 230 N VAL A 17 0.143 -2.538 -1.046 1.00 0.00 N ATOM 231 CA VAL A 17 0.658 -1.303 -0.464 1.00 0.00 C ATOM 232 C VAL A 17 -0.431 -0.239 -0.379 1.00 0.00 C ATOM 233 O VAL A 17 -0.411 0.614 0.509 1.00 0.00 O ATOM 234 CB VAL A 17 1.840 -0.746 -1.281 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.478 0.432 -0.562 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.866 -1.836 -1.547 1.00 0.00 C ATOM 0 H VAL A 17 0.405 -2.687 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 17 1.003 -1.548 0.540 1.00 0.00 H new ATOM 0 HB VAL A 17 1.461 -0.394 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.311 0.812 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.738 1.221 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.843 0.109 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.693 -1.424 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.242 -2.221 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.399 -2.646 -2.108 1.00 0.00 H new ATOM 246 N LEU A 18 -1.379 -0.294 -1.308 1.00 0.00 N ATOM 247 CA LEU A 18 -2.477 0.666 -1.339 1.00 0.00 C ATOM 248 C LEU A 18 -3.391 0.490 -0.130 1.00 0.00 C ATOM 249 O LEU A 18 -3.857 1.468 0.454 1.00 0.00 O ATOM 250 CB LEU A 18 -3.284 0.507 -2.630 1.00 0.00 C ATOM 251 CG LEU A 18 -4.498 1.429 -2.753 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.133 2.692 -3.517 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.649 0.705 -3.437 1.00 0.00 C ATOM 0 H LEU A 18 -1.409 -0.993 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.050 1.668 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.623 0.687 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.623 -0.526 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.817 1.714 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.009 3.336 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.340 3.221 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.788 2.426 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.505 1.375 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.340 0.391 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.927 -0.171 -2.851 1.00 0.00 H new ATOM 265 N HIS A 19 -3.644 -0.761 0.238 1.00 0.00 N ATOM 266 CA HIS A 19 -4.506 -1.064 1.375 1.00 0.00 C ATOM 267 C HIS A 19 -3.812 -0.727 2.691 1.00 0.00 C ATOM 268 O HIS A 19 -4.459 -0.334 3.662 1.00 0.00 O ATOM 269 CB HIS A 19 -4.906 -2.540 1.360 1.00 0.00 C ATOM 270 CG HIS A 19 -6.100 -2.828 0.503 1.00 0.00 C ATOM 271 ND1 HIS A 19 -6.034 -3.053 -0.855 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.411 -2.926 0.836 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.280 -3.275 -1.295 1.00 0.00 C ATOM 274 NE2 HIS A 19 -8.153 -3.210 -0.308 1.00 0.00 N ATOM 0 H HIS A 19 -3.265 -1.582 -0.234 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.403 -0.450 1.291 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.063 -3.133 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.115 -2.862 2.380 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.187 -3.051 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.815 -2.803 1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.536 -3.480 -2.324 1.00 0.00 H new ATOM 282 N LEU A 20 -2.493 -0.886 2.718 1.00 0.00 N ATOM 283 CA LEU A 20 -1.713 -0.600 3.917 1.00 0.00 C ATOM 284 C LEU A 20 -1.725 0.892 4.234 1.00 0.00 C ATOM 285 O LEU A 20 -2.121 1.302 5.325 1.00 0.00 O ATOM 286 CB LEU A 20 -0.272 -1.085 3.741 1.00 0.00 C ATOM 287 CG LEU A 20 -0.009 -2.518 4.206 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.433 -2.913 3.930 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.329 -2.663 5.687 1.00 0.00 C ATOM 0 H LEU A 20 -1.942 -1.211 1.924 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.169 -1.132 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.005 -1.007 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.390 -0.414 4.289 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.661 -3.188 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.601 -3.936 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.630 -2.847 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.103 -2.240 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.137 -3.689 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.298 -1.983 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.378 -2.422 5.858 1.00 0.00 H new ATOM 301 N LEU A 21 -1.286 1.699 3.273 1.00 0.00 N ATOM 302 CA LEU A 21 -1.244 3.147 3.450 1.00 0.00 C ATOM 303 C LEU A 21 -2.633 3.705 3.745 1.00 0.00 C ATOM 304 O LEU A 21 -2.772 4.717 4.432 1.00 0.00 O ATOM 305 CB LEU A 21 -0.668 3.817 2.202 1.00 0.00 C ATOM 306 CG LEU A 21 0.741 3.363 1.814 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.087 3.834 0.411 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.761 3.878 2.819 1.00 0.00 C ATOM 0 H LEU A 21 -0.955 1.375 2.364 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.600 3.363 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.338 3.626 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.655 4.895 2.361 1.00 0.00 H new ATOM 0 HG LEU A 21 0.767 2.273 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.093 3.502 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.373 3.416 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.043 4.922 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.758 3.546 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.733 4.967 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.524 3.490 3.810 1.00 0.00 H new ATOM 320 N ALA A 22 -3.658 3.040 3.221 1.00 0.00 N ATOM 321 CA ALA A 22 -5.035 3.472 3.430 1.00 0.00 C ATOM 322 C ALA A 22 -5.381 3.512 4.915 1.00 0.00 C ATOM 323 O ALA A 22 -5.914 4.505 5.413 1.00 0.00 O ATOM 324 CB ALA A 22 -5.995 2.555 2.687 1.00 0.00 C ATOM 0 H ALA A 22 -3.561 2.201 2.649 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.135 4.483 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.019 2.890 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.772 2.582 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.883 1.535 3.055 1.00 0.00 H new ATOM 330 N LEU A 23 -5.077 2.426 5.617 1.00 0.00 N ATOM 331 CA LEU A 23 -5.356 2.336 7.046 1.00 0.00 C ATOM 332 C LEU A 23 -4.631 3.434 7.815 1.00 0.00 C ATOM 333 O LEU A 23 -5.240 4.172 8.590 1.00 0.00 O ATOM 334 CB LEU A 23 -4.943 0.964 7.582 1.00 0.00 C ATOM 335 CG LEU A 23 -6.008 -0.127 7.459 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.513 -1.428 8.073 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.304 0.318 8.120 1.00 0.00 C ATOM 0 H LEU A 23 -4.637 1.596 5.220 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.429 2.467 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.048 0.638 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.671 1.068 8.632 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.204 -0.301 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.284 -2.192 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.611 -1.755 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.289 -1.270 9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.051 -0.470 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.123 0.519 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.667 1.224 7.635 1.00 0.00 H new ATOM 349 N ARG A 24 -3.323 3.538 7.596 1.00 0.00 N ATOM 350 CA ARG A 24 -2.513 4.547 8.270 1.00 0.00 C ATOM 351 C ARG A 24 -1.160 4.707 7.582 1.00 0.00 C ATOM 352 O ARG A 24 -0.720 3.824 6.844 1.00 0.00 O ATOM 353 CB ARG A 24 -2.310 4.170 9.738 1.00 0.00 C ATOM 354 CG ARG A 24 -1.529 2.881 9.933 1.00 0.00 C ATOM 355 CD ARG A 24 -1.889 2.199 11.243 1.00 0.00 C ATOM 356 NE ARG A 24 -0.794 2.256 12.209 1.00 0.00 N ATOM 357 CZ ARG A 24 -0.698 1.456 13.268 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.627 0.537 13.503 1.00 0.00 N ATOM 359 NH2 ARG A 24 0.331 1.573 14.096 1.00 0.00 N ATOM 0 H ARG A 24 -2.802 2.936 6.958 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.043 5.498 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.787 4.982 10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.284 4.071 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.731 2.204 9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.461 3.097 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.773 2.675 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.149 1.158 11.050 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.060 2.950 12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.421 0.441 12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.547 -0.073 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.049 2.276 13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.405 0.960 14.908 1.00 0.00 H new ATOM 373 N PRO A 25 -0.478 5.841 7.816 1.00 0.00 N ATOM 374 CA PRO A 25 0.833 6.113 7.215 1.00 0.00 C ATOM 375 C PRO A 25 1.825 4.980 7.455 1.00 0.00 C ATOM 376 O PRO A 25 1.746 4.276 8.462 1.00 0.00 O ATOM 377 CB PRO A 25 1.294 7.388 7.926 1.00 0.00 C ATOM 378 CG PRO A 25 0.037 8.053 8.366 1.00 0.00 C ATOM 379 CD PRO A 25 -0.928 6.946 8.683 1.00 0.00 C ATOM 0 HA PRO A 25 0.772 6.213 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.938 7.157 8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.867 8.029 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.213 8.680 9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.356 8.701 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.891 6.670 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.956 7.235 8.465 1.00 0.00 H new ATOM 387 N TYR A 26 2.756 4.809 6.522 1.00 0.00 N ATOM 388 CA TYR A 26 3.764 3.761 6.633 1.00 0.00 C ATOM 389 C TYR A 26 5.087 4.211 6.023 1.00 0.00 C ATOM 390 O TYR A 26 5.162 4.514 4.831 1.00 0.00 O ATOM 391 CB TYR A 26 3.279 2.484 5.945 1.00 0.00 C ATOM 392 CG TYR A 26 2.601 1.510 6.883 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.346 0.659 7.689 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.215 1.442 6.961 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.730 -0.233 8.546 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.592 0.554 7.817 1.00 0.00 C ATOM 397 CZ TYR A 26 1.354 -0.281 8.606 1.00 0.00 C ATOM 398 OH TYR A 26 0.737 -1.167 9.460 1.00 0.00 O ATOM 0 H TYR A 26 2.833 5.382 5.682 1.00 0.00 H new ATOM 0 HA TYR A 26 3.925 3.557 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.584 2.752 5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.129 1.990 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.425 0.695 7.645 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.615 2.094 6.343 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.324 -0.889 9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.486 0.514 7.868 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.235 -1.073 9.382 1.00 0.00 H new ATOM 408 N ARG A 27 6.129 4.254 6.846 1.00 0.00 N ATOM 409 CA ARG A 27 7.450 4.668 6.388 1.00 0.00 C ATOM 410 C ARG A 27 8.063 3.610 5.476 1.00 0.00 C ATOM 411 O ARG A 27 7.466 2.562 5.233 1.00 0.00 O ATOM 412 CB ARG A 27 8.371 4.923 7.582 1.00 0.00 C ATOM 413 CG ARG A 27 7.735 5.776 8.669 1.00 0.00 C ATOM 414 CD ARG A 27 8.769 6.257 9.674 1.00 0.00 C ATOM 415 NE ARG A 27 8.299 7.415 10.431 1.00 0.00 N ATOM 416 CZ ARG A 27 8.905 7.885 11.520 1.00 0.00 C ATOM 417 NH1 ARG A 27 10.004 7.300 11.980 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.411 8.943 12.148 1.00 0.00 N ATOM 0 H ARG A 27 6.084 4.007 7.835 1.00 0.00 H new ATOM 0 HA ARG A 27 7.338 5.592 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.670 3.966 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.279 5.413 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.239 6.634 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.967 5.199 9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.009 5.447 10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.690 6.515 9.151 1.00 0.00 H new ATOM 0 HE ARG A 27 7.457 7.891 10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.388 6.487 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.464 7.664 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.567 9.396 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.875 9.303 12.982 1.00 0.00 H new ATOM 432 N LYS A 28 9.261 3.894 4.973 1.00 0.00 N ATOM 433 CA LYS A 28 9.957 2.967 4.088 1.00 0.00 C ATOM 434 C LYS A 28 10.444 1.742 4.857 1.00 0.00 C ATOM 435 O LYS A 28 10.314 0.611 4.389 1.00 0.00 O ATOM 436 CB LYS A 28 11.140 3.664 3.413 1.00 0.00 C ATOM 437 CG LYS A 28 10.799 4.268 2.060 1.00 0.00 C ATOM 438 CD LYS A 28 11.306 3.401 0.919 1.00 0.00 C ATOM 439 CE LYS A 28 12.824 3.402 0.851 1.00 0.00 C ATOM 440 NZ LYS A 28 13.327 2.743 -0.387 1.00 0.00 N ATOM 0 H LYS A 28 9.769 4.758 5.163 1.00 0.00 H new ATOM 0 HA LYS A 28 9.254 2.637 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.510 4.451 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.950 2.946 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.719 4.387 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.237 5.263 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.947 2.380 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.898 3.764 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.188 4.429 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.227 2.889 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.203 2.225 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.610 2.079 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.519 3.465 -1.111 1.00 0.00 H new ATOM 454 N ALA A 29 11.005 1.977 6.038 1.00 0.00 N ATOM 455 CA ALA A 29 11.513 0.894 6.872 1.00 0.00 C ATOM 456 C ALA A 29 10.372 0.149 7.559 1.00 0.00 C ATOM 457 O ALA A 29 10.463 -1.053 7.805 1.00 0.00 O ATOM 458 CB ALA A 29 12.489 1.436 7.904 1.00 0.00 C ATOM 0 H ALA A 29 11.119 2.908 6.439 1.00 0.00 H new ATOM 0 HA ALA A 29 12.038 0.188 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.860 0.616 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.326 1.916 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.982 2.164 8.537 1.00 0.00 H new ATOM 464 N GLU A 30 9.301 0.872 7.868 1.00 0.00 N ATOM 465 CA GLU A 30 8.143 0.280 8.527 1.00 0.00 C ATOM 466 C GLU A 30 7.301 -0.518 7.536 1.00 0.00 C ATOM 467 O GLU A 30 6.683 -1.519 7.897 1.00 0.00 O ATOM 468 CB GLU A 30 7.289 1.370 9.180 1.00 0.00 C ATOM 469 CG GLU A 30 6.887 1.050 10.611 1.00 0.00 C ATOM 470 CD GLU A 30 5.396 0.814 10.760 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.624 1.787 10.628 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.000 -0.345 11.007 1.00 0.00 O ATOM 0 H GLU A 30 9.211 1.869 7.673 1.00 0.00 H new ATOM 0 HA GLU A 30 8.504 -0.400 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.842 2.309 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.389 1.522 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.426 0.164 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.188 1.872 11.261 1.00 0.00 H new ATOM 479 N LEU A 31 7.282 -0.068 6.286 1.00 0.00 N ATOM 480 CA LEU A 31 6.516 -0.740 5.242 1.00 0.00 C ATOM 481 C LEU A 31 7.318 -1.881 4.624 1.00 0.00 C ATOM 482 O LEU A 31 6.760 -2.907 4.237 1.00 0.00 O ATOM 483 CB LEU A 31 6.107 0.257 4.157 1.00 0.00 C ATOM 484 CG LEU A 31 5.050 -0.251 3.176 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.675 -0.250 3.824 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.048 0.595 1.913 1.00 0.00 C ATOM 0 H LEU A 31 7.788 0.759 5.971 1.00 0.00 H new ATOM 0 HA LEU A 31 5.619 -1.158 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.730 1.160 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.996 0.543 3.594 1.00 0.00 H new ATOM 0 HG LEU A 31 5.297 -1.277 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.936 -0.615 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.685 -0.899 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.416 0.765 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.290 0.220 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.825 1.631 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.027 0.542 1.438 1.00 0.00 H new ATOM 498 N LEU A 32 8.630 -1.693 4.535 1.00 0.00 N ATOM 499 CA LEU A 32 9.509 -2.706 3.963 1.00 0.00 C ATOM 500 C LEU A 32 9.429 -4.008 4.754 1.00 0.00 C ATOM 501 O LEU A 32 9.182 -5.074 4.190 1.00 0.00 O ATOM 502 CB LEU A 32 10.954 -2.202 3.934 1.00 0.00 C ATOM 503 CG LEU A 32 11.343 -1.421 2.677 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.729 -0.817 2.832 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.285 -2.321 1.453 1.00 0.00 C ATOM 0 H LEU A 32 9.108 -0.849 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 9.179 -2.901 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.118 -1.566 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.623 -3.057 4.034 1.00 0.00 H new ATOM 0 HG LEU A 32 10.629 -0.609 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.989 -0.265 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.737 -0.139 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.457 -1.612 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.565 -1.750 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.976 -3.154 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.272 -2.706 1.332 1.00 0.00 H new ATOM 517 N LEU A 33 9.637 -3.914 6.063 1.00 0.00 N ATOM 518 CA LEU A 33 9.588 -5.085 6.931 1.00 0.00 C ATOM 519 C LEU A 33 8.202 -5.722 6.907 1.00 0.00 C ATOM 520 O LEU A 33 8.066 -6.942 7.007 1.00 0.00 O ATOM 521 CB LEU A 33 9.960 -4.700 8.365 1.00 0.00 C ATOM 522 CG LEU A 33 11.388 -4.181 8.546 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.433 -3.108 9.623 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.329 -5.326 8.891 1.00 0.00 C ATOM 0 H LEU A 33 9.841 -3.039 6.546 1.00 0.00 H new ATOM 0 HA LEU A 33 10.310 -5.812 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.265 -3.935 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.822 -5.571 9.006 1.00 0.00 H new ATOM 0 HG LEU A 33 11.716 -3.737 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.456 -2.751 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.789 -2.277 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.086 -3.526 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.341 -4.940 9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.003 -5.798 9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.318 -6.061 8.086 1.00 0.00 H new ATOM 536 N ARG A 34 7.176 -4.888 6.775 1.00 0.00 N ATOM 537 CA ARG A 34 5.799 -5.370 6.739 1.00 0.00 C ATOM 538 C ARG A 34 5.563 -6.249 5.514 1.00 0.00 C ATOM 539 O ARG A 34 5.032 -7.355 5.625 1.00 0.00 O ATOM 540 CB ARG A 34 4.824 -4.190 6.735 1.00 0.00 C ATOM 541 CG ARG A 34 3.951 -4.119 7.977 1.00 0.00 C ATOM 542 CD ARG A 34 3.027 -5.323 8.083 1.00 0.00 C ATOM 543 NE ARG A 34 1.621 -4.946 7.959 1.00 0.00 N ATOM 544 CZ ARG A 34 0.608 -5.747 8.282 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.840 -6.968 8.749 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.642 -5.325 8.140 1.00 0.00 N ATOM 0 H ARG A 34 7.271 -3.876 6.691 1.00 0.00 H new ATOM 0 HA ARG A 34 5.625 -5.971 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.389 -3.262 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.185 -4.261 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.583 -4.066 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.357 -3.205 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.279 -6.043 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.186 -5.819 9.040 1.00 0.00 H new ATOM 0 HE ARG A 34 1.403 -4.015 7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.799 -7.297 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.059 -7.577 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.826 -4.387 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.419 -5.938 8.387 1.00 0.00 H new ATOM 560 N LEU A 35 5.962 -5.752 4.349 1.00 0.00 N ATOM 561 CA LEU A 35 5.794 -6.492 3.104 1.00 0.00 C ATOM 562 C LEU A 35 6.567 -7.807 3.143 1.00 0.00 C ATOM 563 O LEU A 35 6.160 -8.797 2.535 1.00 0.00 O ATOM 564 CB LEU A 35 6.261 -5.648 1.917 1.00 0.00 C ATOM 565 CG LEU A 35 5.608 -4.270 1.804 1.00 0.00 C ATOM 566 CD1 LEU A 35 6.566 -3.274 1.172 1.00 0.00 C ATOM 567 CD2 LEU A 35 4.318 -4.357 1.001 1.00 0.00 C ATOM 0 H LEU A 35 6.404 -4.839 4.241 1.00 0.00 H new ATOM 0 HA LEU A 35 4.734 -6.718 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.341 -5.517 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.066 -6.202 0.998 1.00 0.00 H new ATOM 0 HG LEU A 35 5.366 -3.920 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.083 -2.300 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.462 -3.190 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.841 -3.617 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.866 -3.368 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.537 -4.728 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.626 -5.037 1.497 1.00 0.00 H new ATOM 579 N GLN A 36 7.685 -7.808 3.863 1.00 0.00 N ATOM 580 CA GLN A 36 8.516 -9.001 3.982 1.00 0.00 C ATOM 581 C GLN A 36 7.738 -10.145 4.624 1.00 0.00 C ATOM 582 O GLN A 36 7.965 -11.314 4.313 1.00 0.00 O ATOM 583 CB GLN A 36 9.769 -8.693 4.803 1.00 0.00 C ATOM 584 CG GLN A 36 11.036 -9.311 4.235 1.00 0.00 C ATOM 585 CD GLN A 36 12.154 -9.390 5.256 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.917 -9.321 6.461 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.384 -9.536 4.775 1.00 0.00 N ATOM 0 H GLN A 36 8.036 -6.997 4.372 1.00 0.00 H new ATOM 0 HA GLN A 36 8.814 -9.309 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.897 -7.612 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.624 -9.054 5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.814 -10.313 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.371 -8.724 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.535 -9.589 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.177 -9.595 5.413 1.00 0.00 H new ATOM 596 N LYS A 37 6.821 -9.801 5.522 1.00 0.00 N ATOM 597 CA LYS A 37 6.010 -10.800 6.208 1.00 0.00 C ATOM 598 C LYS A 37 5.190 -11.614 5.211 1.00 0.00 C ATOM 599 O LYS A 37 4.911 -12.792 5.437 1.00 0.00 O ATOM 600 CB LYS A 37 5.082 -10.128 7.220 1.00 0.00 C ATOM 601 CG LYS A 37 5.780 -9.719 8.508 1.00 0.00 C ATOM 602 CD LYS A 37 5.541 -10.729 9.622 1.00 0.00 C ATOM 603 CE LYS A 37 6.841 -11.354 10.099 1.00 0.00 C ATOM 604 NZ LYS A 37 7.309 -10.754 11.379 1.00 0.00 N ATOM 0 H LYS A 37 6.621 -8.838 5.792 1.00 0.00 H new ATOM 0 HA LYS A 37 6.683 -11.476 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.637 -9.245 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.265 -10.809 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.851 -9.623 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.420 -8.739 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.044 -10.238 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.870 -11.511 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.701 -12.427 10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.608 -11.224 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.198 -11.208 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.467 -9.735 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.589 -10.900 12.115 1.00 0.00 H new ATOM 618 N ASP A 38 4.808 -10.978 4.108 1.00 0.00 N ATOM 619 CA ASP A 38 4.019 -11.642 3.077 1.00 0.00 C ATOM 620 C ASP A 38 4.888 -12.002 1.876 1.00 0.00 C ATOM 621 O ASP A 38 4.961 -13.164 1.476 1.00 0.00 O ATOM 622 CB ASP A 38 2.861 -10.747 2.636 1.00 0.00 C ATOM 623 CG ASP A 38 1.638 -10.905 3.518 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.715 -10.535 4.708 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.605 -11.399 3.019 1.00 0.00 O ATOM 0 H ASP A 38 5.032 -10.004 3.905 1.00 0.00 H new ATOM 0 HA ASP A 38 3.615 -12.562 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.184 -9.706 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.595 -10.983 1.606 1.00 0.00 H new ATOM 630 N GLY A 39 5.544 -10.997 1.305 1.00 0.00 N ATOM 631 CA GLY A 39 6.399 -11.229 0.155 1.00 0.00 C ATOM 632 C GLY A 39 7.327 -10.062 -0.122 1.00 0.00 C ATOM 633 O GLY A 39 6.875 -8.939 -0.342 1.00 0.00 O ATOM 0 H GLY A 39 5.499 -10.027 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.991 -12.129 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.780 -11.413 -0.723 1.00 0.00 H new ATOM 637 N LEU A 40 8.629 -10.329 -0.112 1.00 0.00 N ATOM 638 CA LEU A 40 9.624 -9.293 -0.364 1.00 0.00 C ATOM 639 C LEU A 40 11.027 -9.888 -0.416 1.00 0.00 C ATOM 640 O LEU A 40 11.336 -10.839 0.302 1.00 0.00 O ATOM 641 CB LEU A 40 9.553 -8.215 0.719 1.00 0.00 C ATOM 642 CG LEU A 40 10.174 -6.870 0.334 1.00 0.00 C ATOM 643 CD1 LEU A 40 9.120 -5.948 -0.260 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.830 -6.221 1.544 1.00 0.00 C ATOM 0 H LEU A 40 9.020 -11.254 0.068 1.00 0.00 H new ATOM 0 HA LEU A 40 9.405 -8.841 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.508 -8.054 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.053 -8.586 1.614 1.00 0.00 H new ATOM 0 HG LEU A 40 10.941 -7.047 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.579 -4.996 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.694 -6.409 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.331 -5.777 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.267 -5.266 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.082 -6.057 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.613 -6.875 1.928 1.00 0.00 H new ATOM 656 N THR A 41 11.874 -9.322 -1.270 1.00 0.00 N ATOM 657 CA THR A 41 13.245 -9.796 -1.415 1.00 0.00 C ATOM 658 C THR A 41 14.163 -8.675 -1.889 1.00 0.00 C ATOM 659 O THR A 41 14.948 -8.130 -1.114 1.00 0.00 O ATOM 660 CB THR A 41 13.300 -10.967 -2.397 1.00 0.00 C ATOM 661 OG1 THR A 41 12.744 -10.599 -3.647 1.00 0.00 O ATOM 662 CG2 THR A 41 12.560 -12.193 -1.909 1.00 0.00 C ATOM 0 H THR A 41 11.634 -8.534 -1.872 1.00 0.00 H new ATOM 0 HA THR A 41 13.591 -10.133 -0.438 1.00 0.00 H new ATOM 0 HB THR A 41 14.357 -11.215 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.790 -11.360 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.639 -12.986 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.997 -12.532 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.510 -11.946 -1.752 1.00 0.00 H new ATOM 670 N GLN A 42 14.058 -8.334 -3.169 1.00 0.00 N ATOM 671 CA GLN A 42 14.879 -7.277 -3.749 1.00 0.00 C ATOM 672 C GLN A 42 14.115 -6.531 -4.838 1.00 0.00 C ATOM 673 O GLN A 42 14.124 -5.300 -4.882 1.00 0.00 O ATOM 674 CB GLN A 42 16.170 -7.863 -4.325 1.00 0.00 C ATOM 675 CG GLN A 42 17.118 -6.814 -4.883 1.00 0.00 C ATOM 676 CD GLN A 42 18.059 -6.263 -3.831 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.585 -7.003 -3.000 1.00 0.00 O ATOM 678 NE2 GLN A 42 18.277 -4.952 -3.860 1.00 0.00 N ATOM 0 H GLN A 42 13.412 -8.774 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 42 15.130 -6.571 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.683 -8.426 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.917 -8.570 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.701 -7.251 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.538 -5.996 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.821 -4.375 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.901 -4.523 -3.176 1.00 0.00 H new ATOM 687 N ALA A 43 13.456 -7.282 -5.713 1.00 0.00 N ATOM 688 CA ALA A 43 12.687 -6.691 -6.801 1.00 0.00 C ATOM 689 C ALA A 43 11.586 -5.782 -6.265 1.00 0.00 C ATOM 690 O ALA A 43 11.396 -4.668 -6.750 1.00 0.00 O ATOM 691 CB ALA A 43 12.093 -7.782 -7.680 1.00 0.00 C ATOM 0 H ALA A 43 13.439 -8.302 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 43 13.363 -6.083 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.521 -7.327 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.896 -8.388 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.436 -8.414 -7.082 1.00 0.00 H new ATOM 697 N ASP A 44 10.862 -6.268 -5.261 1.00 0.00 N ATOM 698 CA ASP A 44 9.778 -5.499 -4.659 1.00 0.00 C ATOM 699 C ASP A 44 10.320 -4.284 -3.913 1.00 0.00 C ATOM 700 O ASP A 44 9.654 -3.253 -3.820 1.00 0.00 O ATOM 701 CB ASP A 44 8.970 -6.380 -3.703 1.00 0.00 C ATOM 702 CG ASP A 44 8.140 -7.417 -4.436 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.103 -7.040 -5.020 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.528 -8.604 -4.424 1.00 0.00 O ATOM 0 H ASP A 44 11.006 -7.189 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 44 9.126 -5.149 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.649 -6.883 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.313 -5.752 -3.101 1.00 0.00 H new ATOM 709 N LYS A 45 11.531 -4.414 -3.381 1.00 0.00 N ATOM 710 CA LYS A 45 12.162 -3.326 -2.643 1.00 0.00 C ATOM 711 C LYS A 45 12.339 -2.095 -3.528 1.00 0.00 C ATOM 712 O LYS A 45 11.816 -1.022 -3.226 1.00 0.00 O ATOM 713 CB LYS A 45 13.519 -3.775 -2.094 1.00 0.00 C ATOM 714 CG LYS A 45 13.478 -4.185 -0.632 1.00 0.00 C ATOM 715 CD LYS A 45 14.874 -4.251 -0.033 1.00 0.00 C ATOM 716 CE LYS A 45 15.311 -2.903 0.515 1.00 0.00 C ATOM 717 NZ LYS A 45 16.562 -3.006 1.315 1.00 0.00 N ATOM 0 H LYS A 45 12.095 -5.262 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 45 11.510 -3.060 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.882 -4.614 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.237 -2.964 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.873 -3.473 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.995 -5.158 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.893 -4.993 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.582 -4.582 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.465 -2.208 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.516 -2.489 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.825 -2.065 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.409 -3.649 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.327 -3.377 0.716 1.00 0.00 H new ATOM 731 N ASP A 46 13.081 -2.258 -4.618 1.00 0.00 N ATOM 732 CA ASP A 46 13.329 -1.160 -5.546 1.00 0.00 C ATOM 733 C ASP A 46 12.019 -0.610 -6.106 1.00 0.00 C ATOM 734 O ASP A 46 11.917 0.575 -6.420 1.00 0.00 O ATOM 735 CB ASP A 46 14.231 -1.627 -6.691 1.00 0.00 C ATOM 736 CG ASP A 46 15.322 -0.624 -7.012 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.167 0.560 -6.646 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.332 -1.022 -7.630 1.00 0.00 O ATOM 0 H ASP A 46 13.521 -3.140 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 46 13.831 -0.362 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.685 -2.582 -6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.625 -1.798 -7.581 1.00 0.00 H new ATOM 743 N ALA A 47 11.022 -1.480 -6.231 1.00 0.00 N ATOM 744 CA ALA A 47 9.720 -1.081 -6.753 1.00 0.00 C ATOM 745 C ALA A 47 8.905 -0.341 -5.698 1.00 0.00 C ATOM 746 O ALA A 47 8.074 0.507 -6.024 1.00 0.00 O ATOM 747 CB ALA A 47 8.958 -2.298 -7.256 1.00 0.00 C ATOM 0 H ALA A 47 11.091 -2.466 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 47 9.885 -0.399 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.988 -1.986 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.527 -2.781 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.812 -3.001 -6.436 1.00 0.00 H new ATOM 753 N LEU A 48 9.145 -0.669 -4.433 1.00 0.00 N ATOM 754 CA LEU A 48 8.430 -0.036 -3.331 1.00 0.00 C ATOM 755 C LEU A 48 8.654 1.473 -3.329 1.00 0.00 C ATOM 756 O LEU A 48 7.701 2.251 -3.284 1.00 0.00 O ATOM 757 CB LEU A 48 8.881 -0.631 -1.995 1.00 0.00 C ATOM 758 CG LEU A 48 8.186 -0.056 -0.761 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.780 -0.619 -0.630 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.998 -0.348 0.492 1.00 0.00 C ATOM 0 H LEU A 48 9.829 -1.369 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 48 7.365 -0.226 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.712 -1.708 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.955 -0.479 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 48 8.113 1.025 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.301 -0.198 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.200 -0.359 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.830 -1.704 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.489 0.068 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.103 -1.426 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.985 0.104 0.399 1.00 0.00 H new ATOM 772 N ASP A 49 9.919 1.879 -3.375 1.00 0.00 N ATOM 773 CA ASP A 49 10.267 3.296 -3.377 1.00 0.00 C ATOM 774 C ASP A 49 9.631 4.015 -4.563 1.00 0.00 C ATOM 775 O ASP A 49 9.066 5.098 -4.414 1.00 0.00 O ATOM 776 CB ASP A 49 11.787 3.467 -3.420 1.00 0.00 C ATOM 777 CG ASP A 49 12.224 4.856 -2.997 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.466 5.518 -2.258 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.325 5.281 -3.406 1.00 0.00 O ATOM 0 H ASP A 49 10.719 1.248 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 49 9.881 3.739 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.252 2.728 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.144 3.269 -4.431 1.00 0.00 H new ATOM 784 N GLY A 50 9.727 3.404 -5.739 1.00 0.00 N ATOM 785 CA GLY A 50 9.158 4.001 -6.933 1.00 0.00 C ATOM 786 C GLY A 50 7.644 4.068 -6.889 1.00 0.00 C ATOM 787 O GLY A 50 7.034 4.910 -7.549 1.00 0.00 O ATOM 0 H GLY A 50 10.188 2.506 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.559 5.007 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.467 3.425 -7.805 1.00 0.00 H new ATOM 791 N LEU A 51 7.032 3.179 -6.112 1.00 0.00 N ATOM 792 CA LEU A 51 5.580 3.143 -5.989 1.00 0.00 C ATOM 793 C LEU A 51 5.093 4.143 -4.944 1.00 0.00 C ATOM 794 O LEU A 51 4.151 4.897 -5.184 1.00 0.00 O ATOM 795 CB LEU A 51 5.113 1.733 -5.620 1.00 0.00 C ATOM 796 CG LEU A 51 3.810 1.289 -6.286 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.062 0.869 -7.725 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.172 0.152 -5.500 1.00 0.00 C ATOM 0 H LEU A 51 7.520 2.474 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 51 5.154 3.420 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.898 1.025 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.987 1.679 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 51 3.120 2.133 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.123 0.556 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.475 1.710 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.769 0.039 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.246 -0.152 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.858 -0.695 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.955 0.488 -4.486 1.00 0.00 H new ATOM 810 N LEU A 52 5.742 4.141 -3.783 1.00 0.00 N ATOM 811 CA LEU A 52 5.374 5.047 -2.699 1.00 0.00 C ATOM 812 C LEU A 52 5.429 6.501 -3.160 1.00 0.00 C ATOM 813 O LEU A 52 4.676 7.345 -2.673 1.00 0.00 O ATOM 814 CB LEU A 52 6.303 4.845 -1.502 1.00 0.00 C ATOM 815 CG LEU A 52 6.054 3.566 -0.700 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.259 3.237 0.167 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.803 3.708 0.153 1.00 0.00 C ATOM 0 H LEU A 52 6.525 3.523 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 52 4.351 4.819 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.333 4.838 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.202 5.700 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 52 5.901 2.744 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.064 2.324 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.134 3.092 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.444 4.058 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.641 2.789 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.927 4.541 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.943 3.895 -0.490 1.00 0.00 H new ATOM 829 N GLN A 53 6.322 6.786 -4.100 1.00 0.00 N ATOM 830 CA GLN A 53 6.474 8.138 -4.626 1.00 0.00 C ATOM 831 C GLN A 53 5.322 8.495 -5.562 1.00 0.00 C ATOM 832 O GLN A 53 5.024 9.670 -5.773 1.00 0.00 O ATOM 833 CB GLN A 53 7.806 8.274 -5.364 1.00 0.00 C ATOM 834 CG GLN A 53 9.010 8.348 -4.438 1.00 0.00 C ATOM 835 CD GLN A 53 9.582 9.748 -4.335 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.382 10.441 -3.338 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.297 10.172 -5.370 1.00 0.00 N ATOM 0 H GLN A 53 6.952 6.099 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 53 6.460 8.830 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.927 7.425 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.779 9.171 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.721 8.004 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.783 7.669 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.437 9.563 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.706 11.106 -5.359 1.00 0.00 H new ATOM 846 N GLN A 54 4.680 7.475 -6.125 1.00 0.00 N ATOM 847 CA GLN A 54 3.564 7.688 -7.041 1.00 0.00 C ATOM 848 C GLN A 54 2.227 7.539 -6.321 1.00 0.00 C ATOM 849 O GLN A 54 1.377 8.427 -6.382 1.00 0.00 O ATOM 850 CB GLN A 54 3.640 6.701 -8.207 1.00 0.00 C ATOM 851 CG GLN A 54 4.392 7.241 -9.412 1.00 0.00 C ATOM 852 CD GLN A 54 4.038 6.512 -10.694 1.00 0.00 C ATOM 853 OE1 GLN A 54 3.274 5.547 -10.683 1.00 0.00 O ATOM 854 NE2 GLN A 54 4.594 6.972 -11.808 1.00 0.00 N ATOM 0 H GLN A 54 4.913 6.495 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 54 3.635 8.705 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.125 5.786 -7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.628 6.432 -8.511 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.171 8.302 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.464 7.157 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.222 7.775 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.393 6.522 -12.701 1.00 0.00 H new ATOM 863 N VAL A 55 2.046 6.411 -5.643 1.00 0.00 N ATOM 864 CA VAL A 55 0.810 6.147 -4.914 1.00 0.00 C ATOM 865 C VAL A 55 0.945 6.517 -3.441 1.00 0.00 C ATOM 866 O VAL A 55 0.355 5.872 -2.572 1.00 0.00 O ATOM 867 CB VAL A 55 0.399 4.668 -5.026 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.061 4.312 -6.466 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.501 3.766 -4.490 1.00 0.00 C ATOM 0 H VAL A 55 2.739 5.665 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 55 0.038 6.768 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.494 4.512 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.227 3.262 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.765 4.934 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.933 4.484 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.193 2.724 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.413 3.924 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.688 4.003 -3.443 1.00 0.00 H new ATOM 879 N ALA A 56 1.723 7.558 -3.164 1.00 0.00 N ATOM 880 CA ALA A 56 1.932 8.013 -1.795 1.00 0.00 C ATOM 881 C ALA A 56 2.786 9.276 -1.760 1.00 0.00 C ATOM 882 O ALA A 56 3.397 9.651 -2.760 1.00 0.00 O ATOM 883 CB ALA A 56 2.578 6.912 -0.965 1.00 0.00 C ATOM 0 H ALA A 56 2.219 8.102 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 56 0.959 8.253 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.728 7.266 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.929 6.037 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.540 6.644 -1.402 1.00 0.00 H new ATOM 889 N ASN A 57 2.822 9.928 -0.602 1.00 0.00 N ATOM 890 CA ASN A 57 3.600 11.150 -0.437 1.00 0.00 C ATOM 891 C ASN A 57 4.678 10.968 0.626 1.00 0.00 C ATOM 892 O ASN A 57 4.393 10.548 1.748 1.00 0.00 O ATOM 893 CB ASN A 57 2.684 12.315 -0.059 1.00 0.00 C ATOM 894 CG ASN A 57 1.561 12.516 -1.057 1.00 0.00 C ATOM 895 OD1 ASN A 57 1.710 13.246 -2.037 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.430 11.867 -0.813 1.00 0.00 N ATOM 0 H ASN A 57 2.322 9.630 0.235 1.00 0.00 H new ATOM 0 HA ASN A 57 4.086 11.374 -1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.260 12.134 0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.273 13.229 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.361 11.963 -1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.351 11.272 0.012 1.00 0.00 H new ATOM 903 N MET A 58 5.917 11.288 0.267 1.00 0.00 N ATOM 904 CA MET A 58 7.038 11.160 1.190 1.00 0.00 C ATOM 905 C MET A 58 7.204 12.428 2.023 1.00 0.00 C ATOM 906 O MET A 58 7.102 13.540 1.505 1.00 0.00 O ATOM 907 CB MET A 58 8.329 10.867 0.423 1.00 0.00 C ATOM 908 CG MET A 58 9.360 10.105 1.238 1.00 0.00 C ATOM 909 SD MET A 58 10.770 9.571 0.249 1.00 0.00 S ATOM 910 CE MET A 58 10.823 7.827 0.649 1.00 0.00 C ATOM 0 H MET A 58 6.170 11.638 -0.657 1.00 0.00 H new ATOM 0 HA MET A 58 6.828 10.329 1.863 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.088 10.292 -0.471 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.765 11.808 0.089 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.712 10.737 2.054 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.888 9.233 1.691 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.646 7.355 0.112 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.972 7.704 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.883 7.358 0.357 1.00 0.00 H new ATOM 920 N SER A 59 7.462 12.252 3.314 1.00 0.00 N ATOM 921 CA SER A 59 7.644 13.382 4.218 1.00 0.00 C ATOM 922 C SER A 59 8.987 14.062 3.976 1.00 0.00 C ATOM 923 O SER A 59 9.827 13.555 3.235 1.00 0.00 O ATOM 924 CB SER A 59 7.547 12.919 5.673 1.00 0.00 C ATOM 925 OG SER A 59 6.821 13.849 6.458 1.00 0.00 O ATOM 0 H SER A 59 7.550 11.338 3.758 1.00 0.00 H new ATOM 0 HA SER A 59 6.852 14.104 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.061 11.945 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.548 12.794 6.085 1.00 0.00 H new ATOM 0 HG SER A 59 6.772 13.529 7.383 1.00 0.00 H new ATOM 931 N ALA A 60 9.182 15.216 4.607 1.00 0.00 N ATOM 932 CA ALA A 60 10.422 15.967 4.461 1.00 0.00 C ATOM 933 C ALA A 60 11.102 16.172 5.811 1.00 0.00 C ATOM 934 O ALA A 60 11.762 17.186 6.038 1.00 0.00 O ATOM 935 CB ALA A 60 10.151 17.309 3.797 1.00 0.00 C ATOM 0 H ALA A 60 8.496 15.651 5.224 1.00 0.00 H new ATOM 0 HA ALA A 60 11.095 15.389 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.086 17.860 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.716 17.146 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.457 17.884 4.409 1.00 0.00 H new ATOM 941 N LYS A 61 10.935 15.201 6.704 1.00 0.00 N ATOM 942 CA LYS A 61 11.532 15.274 8.033 1.00 0.00 C ATOM 943 C LYS A 61 11.842 13.879 8.566 1.00 0.00 C ATOM 944 O LYS A 61 12.966 13.596 8.978 1.00 0.00 O ATOM 945 CB LYS A 61 10.596 16.007 8.997 1.00 0.00 C ATOM 946 CG LYS A 61 10.918 17.485 9.151 1.00 0.00 C ATOM 947 CD LYS A 61 10.719 17.952 10.585 1.00 0.00 C ATOM 948 CE LYS A 61 10.787 19.467 10.692 1.00 0.00 C ATOM 949 NZ LYS A 61 9.442 20.069 10.907 1.00 0.00 N ATOM 0 H LYS A 61 10.392 14.355 6.531 1.00 0.00 H new ATOM 0 HA LYS A 61 12.467 15.829 7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.570 15.902 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.648 15.528 9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.949 17.667 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.282 18.068 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.754 17.603 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.482 17.506 11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.445 19.744 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.227 19.876 9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.531 21.103 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.821 19.827 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.033 19.698 11.788 1.00 0.00 H new ATOM 963 N ASP A 62 10.835 13.011 8.555 1.00 0.00 N ATOM 964 CA ASP A 62 10.999 11.645 9.038 1.00 0.00 C ATOM 965 C ASP A 62 11.105 10.665 7.873 1.00 0.00 C ATOM 966 O ASP A 62 12.126 10.000 7.699 1.00 0.00 O ATOM 967 CB ASP A 62 9.825 11.256 9.939 1.00 0.00 C ATOM 968 CG ASP A 62 9.531 12.309 10.990 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.493 12.853 11.572 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.338 12.590 11.230 1.00 0.00 O ATOM 0 H ASP A 62 9.898 13.229 8.217 1.00 0.00 H new ATOM 0 HA ASP A 62 11.923 11.599 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.937 11.099 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.045 10.308 10.430 1.00 0.00 H new ATOM 975 N GLY A 63 10.043 10.583 7.077 1.00 0.00 N ATOM 976 CA GLY A 63 10.037 9.682 5.939 1.00 0.00 C ATOM 977 C GLY A 63 8.848 8.742 5.950 1.00 0.00 C ATOM 978 O GLY A 63 8.982 7.557 5.642 1.00 0.00 O ATOM 0 H GLY A 63 9.187 11.124 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.027 10.265 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.958 9.098 5.937 1.00 0.00 H new ATOM 982 N THR A 64 7.682 9.270 6.306 1.00 0.00 N ATOM 983 CA THR A 64 6.464 8.468 6.357 1.00 0.00 C ATOM 984 C THR A 64 5.633 8.662 5.093 1.00 0.00 C ATOM 985 O THR A 64 5.341 9.791 4.697 1.00 0.00 O ATOM 986 CB THR A 64 5.636 8.838 7.588 1.00 0.00 C ATOM 987 OG1 THR A 64 6.453 9.431 8.583 1.00 0.00 O ATOM 988 CG2 THR A 64 4.935 7.653 8.216 1.00 0.00 C ATOM 0 H THR A 64 7.554 10.249 6.563 1.00 0.00 H new ATOM 0 HA THR A 64 6.751 7.419 6.424 1.00 0.00 H new ATOM 0 HB THR A 64 4.881 9.537 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.905 9.662 9.362 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.366 7.985 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.259 7.203 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.675 6.916 8.528 1.00 0.00 H new ATOM 996 N CYS A 65 5.253 7.555 4.465 1.00 0.00 N ATOM 997 CA CYS A 65 4.454 7.603 3.246 1.00 0.00 C ATOM 998 C CYS A 65 2.964 7.576 3.570 1.00 0.00 C ATOM 999 O CYS A 65 2.500 6.727 4.332 1.00 0.00 O ATOM 1000 CB CYS A 65 4.809 6.430 2.330 1.00 0.00 C ATOM 1001 SG CYS A 65 6.508 6.466 1.711 1.00 0.00 S ATOM 0 H CYS A 65 5.485 6.613 4.780 1.00 0.00 H new ATOM 0 HA CYS A 65 4.679 8.537 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.651 5.498 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.124 6.425 1.482 1.00 0.00 H new ATOM 0 HG CYS A 65 7.214 5.567 2.329 1.00 0.00 H new ATOM 1007 N THR A 66 2.218 8.509 2.987 1.00 0.00 N ATOM 1008 CA THR A 66 0.781 8.592 3.213 1.00 0.00 C ATOM 1009 C THR A 66 0.014 8.439 1.903 1.00 0.00 C ATOM 1010 O THR A 66 0.403 8.994 0.876 1.00 0.00 O ATOM 1011 CB THR A 66 0.423 9.925 3.875 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.015 11.006 3.176 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.866 10.014 5.318 1.00 0.00 C ATOM 0 H THR A 66 2.586 9.219 2.354 1.00 0.00 H new ATOM 0 HA THR A 66 0.496 7.776 3.877 1.00 0.00 H new ATOM 0 HB THR A 66 -0.665 9.981 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.774 11.849 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.581 10.984 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.388 9.222 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.949 9.900 5.374 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.078 7.683 1.948 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.900 7.457 0.765 1.00 0.00 C ATOM 1023 C LEU A 67 -2.530 8.760 0.284 1.00 0.00 C ATOM 1024 O LEU A 67 -2.859 9.635 1.086 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.992 6.429 1.066 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.720 5.880 -0.163 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.850 4.866 -0.891 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -5.047 5.254 0.242 1.00 0.00 C ATOM 0 H LEU A 67 -1.414 7.217 2.791 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.257 7.072 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.546 5.595 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.726 6.885 1.731 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.922 6.708 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.385 4.487 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.925 5.345 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.616 4.039 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.553 4.868 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.866 4.438 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.674 6.007 0.719 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.695 8.882 -1.030 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.286 10.079 -1.616 1.00 0.00 C ATOM 1042 C GLN A 68 -4.798 10.094 -1.415 1.00 0.00 C ATOM 1043 O GLN A 68 -5.389 9.096 -1.003 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.957 10.156 -3.108 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.487 9.927 -3.419 1.00 0.00 C ATOM 1046 CD GLN A 68 -0.993 10.785 -4.567 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.783 11.422 -5.265 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.319 10.806 -4.769 1.00 0.00 N ATOM 0 H GLN A 68 -2.428 8.168 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.863 10.948 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.552 9.415 -3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.252 11.135 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.894 10.140 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.330 8.876 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.937 10.263 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.709 11.366 -5.527 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.418 11.234 -1.707 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.861 11.380 -1.557 1.00 0.00 C ATOM 1059 C ASP A 69 -7.602 10.645 -2.671 1.00 0.00 C ATOM 1060 O ASP A 69 -8.721 10.170 -2.475 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.246 12.861 -1.559 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.673 13.350 -0.189 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -6.892 13.181 0.772 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.789 13.898 -0.075 1.00 0.00 O ATOM 0 H ASP A 69 -4.943 12.069 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.150 10.938 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.399 13.453 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.058 13.021 -2.268 1.00 0.00 H new ATOM 1069 N CYS A 70 -6.973 10.555 -3.837 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.575 9.879 -4.982 1.00 0.00 C ATOM 1071 C CYS A 70 -7.340 8.374 -4.911 1.00 0.00 C ATOM 1072 O CYS A 70 -8.225 7.582 -5.236 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.004 10.436 -6.287 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.785 9.770 -7.776 1.00 0.00 S ATOM 0 H CYS A 70 -6.046 10.941 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.649 10.061 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.114 11.520 -6.286 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -5.935 10.224 -6.324 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.237 10.302 -8.828 1.00 0.00 H new ATOM 1080 N MET A 71 -6.142 7.985 -4.486 1.00 0.00 N ATOM 1081 CA MET A 71 -5.791 6.573 -4.375 1.00 0.00 C ATOM 1082 C MET A 71 -6.738 5.845 -3.424 1.00 0.00 C ATOM 1083 O MET A 71 -6.935 4.636 -3.538 1.00 0.00 O ATOM 1084 CB MET A 71 -4.348 6.422 -3.889 1.00 0.00 C ATOM 1085 CG MET A 71 -3.315 6.919 -4.888 1.00 0.00 C ATOM 1086 SD MET A 71 -3.455 6.109 -6.493 1.00 0.00 S ATOM 1087 CE MET A 71 -3.085 4.413 -6.051 1.00 0.00 C ATOM 0 H MET A 71 -5.398 8.627 -4.213 1.00 0.00 H new ATOM 0 HA MET A 71 -5.885 6.124 -5.364 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.229 6.969 -2.954 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.155 5.372 -3.671 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.429 7.995 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.316 6.750 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.507 3.947 -6.849 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.508 4.396 -5.127 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.015 3.863 -5.908 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.321 6.588 -2.487 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.246 6.009 -1.519 1.00 0.00 C ATOM 1099 C TYR A 72 -9.403 5.301 -2.219 1.00 0.00 C ATOM 1100 O TYR A 72 -9.972 4.346 -1.690 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.786 7.095 -0.586 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.014 7.221 0.708 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.032 6.202 1.651 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.267 8.360 0.986 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.329 6.314 2.835 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.560 8.477 2.167 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.594 7.452 3.088 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.891 7.567 4.266 1.00 0.00 O ATOM 0 H TYR A 72 -7.169 7.591 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.699 5.272 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.765 8.053 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.830 6.879 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.605 5.307 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.239 9.166 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.355 5.513 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.983 9.368 2.368 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.835 6.690 4.700 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.748 5.775 -3.412 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.837 5.186 -4.182 1.00 0.00 C ATOM 1120 C LYS A 73 -10.465 3.789 -4.669 1.00 0.00 C ATOM 1121 O LYS A 73 -11.326 2.921 -4.813 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.185 6.077 -5.377 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.401 7.537 -5.005 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.695 8.079 -5.590 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.506 9.475 -6.163 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.753 9.991 -6.793 1.00 0.00 N ATOM 0 H LYS A 73 -9.289 6.565 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.707 5.106 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.384 6.013 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.087 5.695 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.422 7.637 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.561 8.132 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.051 7.409 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.463 8.103 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.193 10.154 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.706 9.458 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.582 10.945 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.039 9.358 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.510 10.031 -6.081 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.177 3.580 -4.922 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.690 2.288 -5.395 1.00 0.00 C ATOM 1142 C ASP A 74 -8.882 1.209 -4.333 1.00 0.00 C ATOM 1143 O ASP A 74 -9.025 0.029 -4.653 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.212 2.386 -5.777 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.003 3.115 -7.089 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.693 2.776 -8.074 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.148 4.026 -7.133 1.00 0.00 O ATOM 0 H ASP A 74 -8.452 4.288 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.269 2.011 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.668 2.903 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.791 1.383 -5.850 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.882 1.619 -3.068 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.055 0.685 -1.961 1.00 0.00 C ATOM 1154 C VAL A 75 -10.354 -0.102 -2.100 1.00 0.00 C ATOM 1155 O VAL A 75 -11.377 0.437 -2.522 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.056 1.416 -0.605 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.049 0.417 0.542 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.866 2.359 -0.506 1.00 0.00 C ATOM 0 H VAL A 75 -8.764 2.592 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.211 -0.004 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.968 2.009 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.050 0.953 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.936 -0.214 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.156 -0.205 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.883 2.867 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.941 1.789 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.920 3.098 -1.306 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.305 -1.382 -1.743 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.478 -2.245 -1.828 1.00 0.00 C ATOM 1170 C GLN A 76 -12.019 -2.564 -0.438 1.00 0.00 C ATOM 1171 O GLN A 76 -11.444 -2.160 0.572 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.132 -3.541 -2.563 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.665 -3.325 -3.993 1.00 0.00 C ATOM 1174 CD GLN A 76 -10.571 -4.619 -4.777 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -11.497 -4.991 -5.496 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.447 -5.312 -4.640 1.00 0.00 N ATOM 0 H GLN A 76 -9.466 -1.844 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.249 -1.714 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.352 -4.065 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.008 -4.190 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.354 -2.648 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.690 -2.839 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.705 -4.965 -4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.326 -6.191 -5.142 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.130 -3.292 -0.395 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.751 -3.667 0.871 1.00 0.00 C ATOM 1187 C LYS A 77 -13.609 -5.165 1.129 1.00 0.00 C ATOM 1188 O LYS A 77 -13.605 -5.608 2.278 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.230 -3.272 0.873 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.587 -2.261 1.950 1.00 0.00 C ATOM 1191 CD LYS A 77 -17.079 -2.263 2.243 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.466 -1.123 3.172 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.942 -0.971 3.280 1.00 0.00 N ATOM 0 H LYS A 77 -13.619 -3.634 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.238 -3.133 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.489 -2.859 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.837 -4.167 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.036 -2.489 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.279 -1.265 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.634 -2.177 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.361 -3.214 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.046 -1.303 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.031 -0.193 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.164 -0.184 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.340 -0.774 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.355 -1.849 3.654 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.493 -5.940 0.055 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.352 -7.387 0.170 1.00 0.00 C ATOM 1209 C ASP A 78 -11.884 -7.799 0.109 1.00 0.00 C ATOM 1210 O ASP A 78 -11.534 -8.796 -0.523 1.00 0.00 O ATOM 1211 CB ASP A 78 -14.141 -8.085 -0.940 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.055 -9.172 -0.406 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.893 -8.867 0.467 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -14.931 -10.328 -0.861 1.00 0.00 O ATOM 0 H ASP A 78 -13.494 -5.591 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.753 -7.692 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.735 -7.347 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.445 -8.520 -1.658 1.00 0.00 H new ATOM 1219 N TRP A 79 -11.029 -7.026 0.770 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.599 -7.312 0.792 1.00 0.00 C ATOM 1221 C TRP A 79 -9.296 -8.497 1.709 1.00 0.00 C ATOM 1222 O TRP A 79 -9.698 -8.507 2.872 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.820 -6.080 1.258 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.334 -6.276 1.245 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.503 -6.308 2.328 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.503 -6.467 0.094 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -5.206 -6.507 1.921 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.180 -6.607 0.554 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.750 -6.534 -1.280 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.108 -6.810 -0.312 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.685 -6.735 -2.138 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.378 -6.871 -1.652 1.00 0.00 C ATOM 0 H TRP A 79 -11.301 -6.197 1.298 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.288 -7.569 -0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.073 -5.235 0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.136 -5.820 2.268 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.819 -6.194 3.354 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.395 -6.570 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.754 -6.431 -1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.100 -6.915 0.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.864 -6.788 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.568 -7.027 -2.349 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.582 -9.517 1.198 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.234 -10.705 1.981 1.00 0.00 C ATOM 1245 C PRO A 80 -7.035 -10.471 2.896 1.00 0.00 C ATOM 1246 O PRO A 80 -6.052 -11.210 2.848 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.894 -11.732 0.905 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.346 -10.925 -0.222 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.061 -9.598 -0.182 1.00 0.00 C ATOM 0 HA PRO A 80 -9.039 -11.009 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.164 -12.457 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.777 -12.293 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.270 -10.790 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.511 -11.427 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.384 -8.773 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.866 -9.555 -0.916 1.00 0.00 H new ATOM 1257 N GLY A 81 -7.124 -9.441 3.732 1.00 0.00 N ATOM 1258 CA GLY A 81 -6.040 -9.133 4.646 1.00 0.00 C ATOM 1259 C GLY A 81 -6.539 -8.698 6.009 1.00 0.00 C ATOM 1260 O GLY A 81 -6.030 -9.148 7.037 1.00 0.00 O ATOM 0 H GLY A 81 -7.927 -8.815 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.403 -10.010 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.422 -8.343 4.219 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.539 -7.822 6.020 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.107 -7.327 7.268 1.00 0.00 C ATOM 1266 C TYR A 82 -8.813 -8.446 8.024 1.00 0.00 C ATOM 1267 O TYR A 82 -8.745 -9.612 7.635 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.088 -6.186 6.989 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.507 -5.082 6.133 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.237 -4.579 6.384 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.230 -4.545 5.076 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.703 -3.569 5.605 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.704 -3.536 4.292 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.440 -3.051 4.561 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.913 -2.047 3.782 1.00 0.00 O ATOM 0 H TYR A 82 -7.972 -7.441 5.179 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.292 -6.952 7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.971 -6.590 6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.419 -5.763 7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.657 -4.983 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.219 -4.922 4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.714 -3.188 5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.279 -3.129 3.473 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.057 -1.755 4.160 1.00 0.00 H new ATOM 1285 N SER A 83 -9.494 -8.085 9.107 1.00 0.00 N ATOM 1286 CA SER A 83 -10.214 -9.060 9.917 1.00 0.00 C ATOM 1287 C SER A 83 -11.468 -8.441 10.528 1.00 0.00 C ATOM 1288 O SER A 83 -12.576 -8.939 10.333 1.00 0.00 O ATOM 1289 CB SER A 83 -9.308 -9.603 11.025 1.00 0.00 C ATOM 1290 OG SER A 83 -9.501 -10.995 11.204 1.00 0.00 O ATOM 0 H SER A 83 -9.562 -7.125 9.444 1.00 0.00 H new ATOM 0 HA SER A 83 -10.516 -9.882 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.265 -9.406 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.517 -9.081 11.959 1.00 0.00 H new ATOM 0 HG SER A 83 -8.910 -11.318 11.916 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.285 -7.351 11.265 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.402 -6.663 11.904 1.00 0.00 C ATOM 1298 C GLU A 84 -12.012 -5.243 12.300 1.00 0.00 C ATOM 1299 O GLU A 84 -12.631 -4.274 11.863 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.869 -7.441 13.136 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.381 -7.525 13.265 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.907 -8.936 13.083 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -14.503 -9.825 13.862 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.722 -9.151 12.160 1.00 0.00 O ATOM 0 H GLU A 84 -10.374 -6.925 11.435 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.221 -6.607 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.460 -8.450 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.462 -6.968 14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.679 -7.154 14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.842 -6.872 12.524 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.982 -5.129 13.132 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.527 -3.824 13.574 1.00 0.00 C ATOM 1313 C GLY A 85 -10.034 -2.961 12.429 1.00 0.00 C ATOM 1314 O GLY A 85 -10.116 -1.734 12.486 1.00 0.00 O ATOM 0 H GLY A 85 -10.454 -5.917 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.343 -3.312 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.725 -3.950 14.301 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.518 -3.604 11.386 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.008 -2.887 10.223 1.00 0.00 C ATOM 1320 C ASP A 86 -10.129 -2.588 9.232 1.00 0.00 C ATOM 1321 O ASP A 86 -10.159 -1.521 8.618 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.909 -3.702 9.536 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.592 -3.641 10.283 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.292 -2.583 10.874 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.859 -4.653 10.279 1.00 0.00 O ATOM 0 H ASP A 86 -9.442 -4.619 11.323 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.589 -1.941 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.229 -4.741 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.766 -3.331 8.521 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.047 -3.536 9.080 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.169 -3.375 8.163 1.00 0.00 C ATOM 1332 C GLN A 87 -13.054 -2.205 8.583 1.00 0.00 C ATOM 1333 O GLN A 87 -13.613 -1.503 7.740 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.996 -4.660 8.105 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.274 -5.818 7.435 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.186 -7.000 7.171 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.407 -6.855 7.114 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.596 -8.177 7.007 1.00 0.00 N ATOM 0 H GLN A 87 -11.036 -4.425 9.580 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.767 -3.164 7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.271 -4.952 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.924 -4.461 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.845 -5.477 6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.444 -6.138 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.580 -8.250 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.158 -9.008 6.825 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.178 -2.001 9.890 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.996 -0.917 10.421 1.00 0.00 C ATOM 1349 C GLN A 88 -13.226 0.400 10.416 1.00 0.00 C ATOM 1350 O GLN A 88 -13.797 1.463 10.169 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.455 -1.245 11.843 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.367 -2.460 11.922 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.784 -2.100 12.324 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.309 -1.059 11.929 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.413 -2.964 13.113 1.00 0.00 N ATOM 0 H GLN A 88 -12.722 -2.572 10.601 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.870 -0.809 9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.579 -1.417 12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.977 -0.382 12.256 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.384 -2.961 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.959 -3.170 12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.940 -3.815 13.417 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.369 -2.776 13.415 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.929 0.322 10.689 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.080 1.509 10.717 1.00 0.00 C ATOM 1366 C LEU A 89 -10.985 2.144 9.333 1.00 0.00 C ATOM 1367 O LEU A 89 -10.978 3.367 9.200 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.682 1.149 11.222 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.818 2.339 11.642 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.007 2.638 13.122 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.353 2.069 11.335 1.00 0.00 C ATOM 0 H LEU A 89 -11.441 -0.550 10.894 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.531 2.231 11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.782 0.474 12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.160 0.599 10.439 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.133 3.212 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.385 3.487 13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.053 2.875 13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.718 1.766 13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.753 2.926 11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.024 1.184 11.879 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.230 1.903 10.265 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.909 1.304 8.306 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.813 1.782 6.932 1.00 0.00 C ATOM 1385 C LEU A 90 -12.049 2.589 6.545 1.00 0.00 C ATOM 1386 O LEU A 90 -11.975 3.495 5.715 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.639 0.603 5.972 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.569 0.981 4.491 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.122 1.062 4.028 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.344 -0.022 3.647 1.00 0.00 C ATOM 0 H LEU A 90 -10.912 0.288 8.400 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.942 2.433 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.727 0.068 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.469 -0.089 6.116 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.026 1.963 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.092 1.332 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.595 1.818 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.640 0.094 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.283 0.263 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.916 -1.016 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.388 -0.032 3.961 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.183 2.252 7.150 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.435 2.946 6.866 1.00 0.00 C ATOM 1404 C LYS A 91 -14.360 4.408 7.291 1.00 0.00 C ATOM 1405 O LYS A 91 -14.562 5.311 6.479 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.597 2.255 7.582 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.808 0.813 7.149 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.824 0.108 8.033 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.034 -1.336 7.603 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.411 -1.566 7.085 1.00 0.00 N ATOM 0 H LYS A 91 -13.262 1.504 7.839 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.604 2.910 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.417 2.280 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.512 2.818 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.147 0.789 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.859 0.278 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.486 0.134 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.774 0.642 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.308 -1.595 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.849 -1.997 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.514 -2.562 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.103 -1.344 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.579 -0.953 6.261 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.070 4.636 8.568 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.971 5.990 9.102 1.00 0.00 C ATOM 1426 C ARG A 92 -12.935 6.810 8.337 1.00 0.00 C ATOM 1427 O ARG A 92 -13.038 8.033 8.252 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.609 5.948 10.589 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.399 5.080 10.896 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.856 5.353 12.289 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.589 6.081 12.249 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.085 6.747 13.285 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -10.735 6.782 14.442 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.926 7.381 13.164 1.00 0.00 N ATOM 0 H ARG A 92 -13.899 3.900 9.253 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.942 6.470 8.983 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.415 6.963 10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.465 5.576 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.673 4.029 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.619 5.267 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.587 5.928 12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.715 4.409 12.815 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.061 6.078 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.627 6.296 14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.343 7.294 15.232 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.422 7.358 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.539 7.892 13.957 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.936 6.128 7.784 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.883 6.798 7.028 1.00 0.00 C ATOM 1450 C VAL A 93 -11.358 7.158 5.624 1.00 0.00 C ATOM 1451 O VAL A 93 -11.199 8.294 5.176 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.621 5.920 6.922 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.488 6.687 6.259 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.200 5.419 8.296 1.00 0.00 C ATOM 0 H VAL A 93 -11.834 5.115 7.845 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.637 7.711 7.570 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.856 5.056 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.606 6.049 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.791 6.990 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.253 7.572 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.307 4.801 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.985 6.269 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.006 4.827 8.730 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.940 6.183 4.933 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.435 6.396 3.578 1.00 0.00 C ATOM 1466 C LEU A 94 -13.550 7.438 3.562 1.00 0.00 C ATOM 1467 O LEU A 94 -13.604 8.289 2.674 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.943 5.080 2.986 1.00 0.00 C ATOM 1469 CG LEU A 94 -11.852 4.125 2.503 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.389 2.705 2.406 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.302 4.581 1.159 1.00 0.00 C ATOM 0 H LEU A 94 -12.080 5.238 5.289 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.609 6.766 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.545 4.569 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.603 5.307 2.149 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.039 4.135 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.598 2.040 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.735 2.379 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.220 2.678 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.526 3.890 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.107 4.600 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.879 5.580 1.259 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.438 7.365 4.547 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.551 8.300 4.644 1.00 0.00 C ATOM 1485 C VAL A 95 -15.063 9.702 4.997 1.00 0.00 C ATOM 1486 O VAL A 95 -15.667 10.698 4.600 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.580 7.846 5.698 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.800 8.753 5.682 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.982 6.397 5.464 1.00 0.00 C ATOM 0 H VAL A 95 -14.408 6.667 5.290 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.031 8.320 3.666 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.117 7.917 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.514 8.415 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.496 9.776 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.266 8.719 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.709 6.095 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.425 6.298 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.101 5.759 5.533 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.968 9.770 5.747 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.401 11.051 6.154 1.00 0.00 C ATOM 1501 C ARG A 96 -12.479 11.608 5.075 1.00 0.00 C ATOM 1502 O ARG A 96 -12.358 12.822 4.913 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.632 10.898 7.469 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.109 12.212 8.024 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.204 12.993 8.732 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.681 14.173 9.416 1.00 0.00 N ATOM 1507 CZ ARG A 96 -13.441 15.167 9.867 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -14.758 15.130 9.708 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -12.884 16.203 10.479 1.00 0.00 N ATOM 0 H ARG A 96 -13.456 8.955 6.085 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.223 11.752 6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.284 10.434 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.793 10.220 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.293 12.015 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.698 12.813 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.958 13.299 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.701 12.346 9.455 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.673 14.239 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.193 14.336 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.335 15.895 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.872 16.238 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.467 16.965 10.825 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.827 10.713 4.340 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.914 11.117 3.276 1.00 0.00 C ATOM 1525 C LYS A 97 -11.669 11.359 1.972 1.00 0.00 C ATOM 1526 O LYS A 97 -11.594 12.444 1.394 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.840 10.049 3.066 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.923 9.864 4.264 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.902 10.986 4.361 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.808 10.659 5.366 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.269 11.884 6.019 1.00 0.00 N ATOM 0 H LYS A 97 -11.914 9.704 4.461 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.436 12.050 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.324 9.099 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.239 10.316 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.517 9.831 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.407 8.907 4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.457 11.160 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.402 11.910 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.204 9.986 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.999 10.130 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.526 11.618 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.868 12.515 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.036 12.376 6.521 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.393 10.343 1.516 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.161 10.447 0.281 1.00 0.00 C ATOM 1547 C LEU A 98 -14.402 11.310 0.481 1.00 0.00 C ATOM 1548 O LEU A 98 -14.699 11.740 1.596 1.00 0.00 O ATOM 1549 CB LEU A 98 -13.566 9.056 -0.211 1.00 0.00 C ATOM 1550 CG LEU A 98 -12.405 8.081 -0.423 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -12.927 6.669 -0.638 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -11.550 8.521 -1.602 1.00 0.00 C ATOM 0 H LEU A 98 -12.464 9.439 1.983 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.530 10.921 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.260 8.620 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.107 9.163 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.784 8.084 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.088 5.990 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.497 6.355 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.571 6.649 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.729 7.817 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.160 8.547 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.147 9.515 -1.408 1.00 0.00 H new ATOM 1564 N SER A 99 -15.126 11.560 -0.606 1.00 0.00 N ATOM 1565 CA SER A 99 -16.336 12.372 -0.550 1.00 0.00 C ATOM 1566 C SER A 99 -17.578 11.517 -0.782 1.00 0.00 C ATOM 1567 O SER A 99 -18.612 11.721 -0.147 1.00 0.00 O ATOM 1568 CB SER A 99 -16.272 13.492 -1.589 1.00 0.00 C ATOM 1569 OG SER A 99 -16.494 12.990 -2.896 1.00 0.00 O ATOM 0 H SER A 99 -14.895 11.212 -1.536 1.00 0.00 H new ATOM 0 HA SER A 99 -16.402 12.812 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 99 -17.019 14.251 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.298 13.979 -1.544 1.00 0.00 H new ATOM 0 HG SER A 99 -16.450 13.726 -3.541 1.00 0.00 H new ATOM 1575 N GLY A 100 -17.467 10.559 -1.697 1.00 0.00 N ATOM 1576 CA GLY A 100 -18.588 9.687 -1.997 1.00 0.00 C ATOM 1577 C GLY A 100 -18.707 9.382 -3.478 1.00 0.00 C ATOM 1578 O GLY A 100 -19.536 9.973 -4.170 1.00 0.00 O ATOM 0 H GLY A 100 -16.621 10.371 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.476 8.754 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.510 10.154 -1.650 1.00 0.00 H new ATOM 1582 N PRO A 101 -17.884 8.455 -3.999 1.00 0.00 N ATOM 1583 CA PRO A 101 -17.912 8.081 -5.415 1.00 0.00 C ATOM 1584 C PRO A 101 -19.172 7.305 -5.785 1.00 0.00 C ATOM 1585 O PRO A 101 -19.220 6.082 -5.657 1.00 0.00 O ATOM 1586 CB PRO A 101 -16.673 7.195 -5.574 1.00 0.00 C ATOM 1587 CG PRO A 101 -16.433 6.635 -4.216 1.00 0.00 C ATOM 1588 CD PRO A 101 -16.864 7.700 -3.246 1.00 0.00 C ATOM 0 HA PRO A 101 -17.914 8.955 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.843 6.404 -6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.816 7.771 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.002 5.718 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.381 6.384 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.275 7.269 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.030 8.336 -2.951 1.00 0.00 H new ATOM 1596 N SER A 102 -20.190 8.026 -6.244 1.00 0.00 N ATOM 1597 CA SER A 102 -21.451 7.405 -6.632 1.00 0.00 C ATOM 1598 C SER A 102 -22.002 8.043 -7.903 1.00 0.00 C ATOM 1599 O SER A 102 -23.214 8.191 -8.061 1.00 0.00 O ATOM 1600 CB SER A 102 -22.474 7.529 -5.501 1.00 0.00 C ATOM 1601 OG SER A 102 -22.090 6.751 -4.380 1.00 0.00 O ATOM 0 H SER A 102 -20.166 9.040 -6.356 1.00 0.00 H new ATOM 0 HA SER A 102 -21.263 6.349 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.571 8.574 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.453 7.205 -5.854 1.00 0.00 H new ATOM 0 HG SER A 102 -22.759 6.848 -3.670 1.00 0.00 H new ATOM 1607 N SER A 103 -21.104 8.418 -8.809 1.00 0.00 N ATOM 1608 CA SER A 103 -21.501 9.040 -10.067 1.00 0.00 C ATOM 1609 C SER A 103 -22.212 8.036 -10.968 1.00 0.00 C ATOM 1610 O SER A 103 -21.622 7.505 -11.909 1.00 0.00 O ATOM 1611 CB SER A 103 -20.277 9.612 -10.785 1.00 0.00 C ATOM 1612 OG SER A 103 -19.826 10.799 -10.157 1.00 0.00 O ATOM 0 H SER A 103 -20.097 8.302 -8.695 1.00 0.00 H new ATOM 0 HA SER A 103 -22.193 9.852 -9.841 1.00 0.00 H new ATOM 0 HB2 SER A 103 -19.476 8.873 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 103 -20.526 9.819 -11.826 1.00 0.00 H new ATOM 0 HG SER A 103 -19.042 11.144 -10.634 1.00 0.00 H new ATOM 1618 N GLY A 104 -23.484 7.782 -10.674 1.00 0.00 N ATOM 1619 CA GLY A 104 -24.254 6.843 -11.468 1.00 0.00 C ATOM 1620 C GLY A 104 -25.547 6.435 -10.790 1.00 0.00 C ATOM 1621 O GLY A 104 -26.572 7.114 -11.008 1.00 0.00 O ATOM 1622 OXT GLY A 104 -25.535 5.435 -10.040 1.00 0.00 O ATOM 0 H GLY A 104 -23.994 8.209 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -24.480 7.290 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -23.652 5.955 -11.660 1.00 0.00 H new TER 1626 GLY A 104