USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HE2:sc= 0.764 K(o=1.8,f=-11!) USER MOD Set 1.2: A 35 HIS : no HE2:sc= 0.825 K(o=1.8,f=-4.8!) USER MOD Set 1.3: A 113 CYS SG : rot 80:sc= 0.253 USER MOD Set 2.1: A 109 THR OG1 : rot 128:sc= 0.402 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.871 K(o=1.3,f=-0.9!) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.715 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 167:sc= 1.78 (180deg=0.68) 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 9 LYS NZ :NH3+ 152:sc= 2.44 (180deg=1.65) USER MOD Single : A 21 TYR OH : rot 30:sc= 0.168 USER MOD Single : A 27 TYR OH : rot -174:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 151:sc= 1.17 USER MOD Single : A 55 THR OG1 : rot 140:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.16) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 78:sc= 1.89 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.23 K(o=1.2,f=-0.74) USER MOD Single : A 77 ASN : amide:sc= 1.11 K(o=1.1,f=-1.5) USER MOD Single : A 78 ASN : amide:sc= 1.05 K(o=1.1,f=-6.7!) USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.2) USER MOD Single : A 80 HIS : no HD1:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 154:sc= 1.84 USER MOD Single : A 89 CYS SG : rot 62:sc= 0.0587 USER MOD Single : A 90 SER OG : rot 180:sc= 0.029 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.18) USER MOD Single : A 102 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.797) USER MOD Single : A 110 SER OG : rot -60:sc= 1.28 USER MOD Single : A 115 HIS : no HD1:sc= 0.235 K(o=0.23,f=-1.9!) USER MOD Single : A 118 ASN : amide:sc= 1.15 K(o=1.2,f=0.57) USER MOD Single : A 122 TYR OH : rot 8:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.100 3.315 -2.705 1.00 0.00 N ATOM 2 CA MET A 1 16.277 1.983 -3.335 1.00 0.00 C ATOM 3 C MET A 1 14.924 1.277 -3.486 1.00 0.00 C ATOM 4 O MET A 1 14.346 1.302 -4.576 1.00 0.00 O ATOM 5 CB MET A 1 17.346 1.134 -2.608 1.00 0.00 C ATOM 6 CG MET A 1 17.629 -0.207 -3.305 1.00 0.00 C ATOM 7 SD MET A 1 18.193 -0.082 -5.027 1.00 0.00 S ATOM 8 CE MET A 1 18.360 -1.847 -5.414 1.00 0.00 C ATOM 0 H1 MET A 1 17.025 3.780 -2.610 1.00 0.00 H new ATOM 0 H2 MET A 1 15.478 3.900 -3.299 1.00 0.00 H new ATOM 0 H3 MET A 1 15.672 3.200 -1.764 1.00 0.00 H new ATOM 0 HA MET A 1 16.670 2.124 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.272 1.705 -2.543 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.017 0.943 -1.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.384 -0.744 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.721 -0.810 -3.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.701 -1.963 -6.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.085 -2.301 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.395 -2.339 -5.294 1.00 0.00 H new ATOM 20 N ARG A 2 14.398 0.642 -2.426 1.00 0.00 N ATOM 21 CA ARG A 2 13.107 -0.056 -2.427 1.00 0.00 C ATOM 22 C ARG A 2 12.495 0.007 -1.024 1.00 0.00 C ATOM 23 O ARG A 2 13.154 0.479 -0.093 1.00 0.00 O ATOM 24 CB ARG A 2 13.277 -1.495 -2.959 1.00 0.00 C ATOM 25 CG ARG A 2 14.175 -2.408 -2.108 1.00 0.00 C ATOM 26 CD ARG A 2 14.429 -3.728 -2.849 1.00 0.00 C ATOM 27 NE ARG A 2 15.180 -4.687 -2.021 1.00 0.00 N ATOM 28 CZ ARG A 2 15.299 -5.998 -2.269 1.00 0.00 C ATOM 29 NH1 ARG A 2 14.846 -6.520 -3.405 1.00 0.00 N ATOM 30 NH2 ARG A 2 15.862 -6.793 -1.364 1.00 0.00 N ATOM 0 H ARG A 2 14.872 0.600 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 2 12.408 0.436 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.292 -1.954 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 2 13.688 -1.446 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.122 -1.910 -1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.701 -2.606 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 2 13.476 -4.169 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 2 14.983 -3.529 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 2 15.648 -4.323 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 2 14.402 -5.920 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.943 -7.520 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 2 16.202 -6.404 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 2 15.954 -7.792 -1.549 1.00 0.00 H new ATOM 44 N ALA A 3 11.238 -0.425 -0.884 1.00 0.00 N ATOM 45 CA ALA A 3 10.459 -0.252 0.341 1.00 0.00 C ATOM 46 C ALA A 3 11.159 -0.890 1.559 1.00 0.00 C ATOM 47 O ALA A 3 11.709 -1.990 1.428 1.00 0.00 O ATOM 48 CB ALA A 3 9.060 -0.851 0.154 1.00 0.00 C ATOM 0 H ALA A 3 10.730 -0.908 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 3 10.373 0.817 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.483 -0.720 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.555 -0.346 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.146 -1.914 -0.071 1.00 0.00 H new ATOM 54 N PRO A 4 11.126 -0.243 2.740 1.00 0.00 N ATOM 55 CA PRO A 4 11.675 -0.790 3.977 1.00 0.00 C ATOM 56 C PRO A 4 10.760 -1.875 4.577 1.00 0.00 C ATOM 57 O PRO A 4 9.674 -2.158 4.064 1.00 0.00 O ATOM 58 CB PRO A 4 11.813 0.426 4.906 1.00 0.00 C ATOM 59 CG PRO A 4 10.653 1.325 4.486 1.00 0.00 C ATOM 60 CD PRO A 4 10.564 1.081 2.981 1.00 0.00 C ATOM 0 HA PRO A 4 12.630 -1.291 3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.740 0.140 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.774 0.923 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.728 1.055 4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.849 2.372 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.530 1.131 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.117 1.843 2.432 1.00 0.00 H new ATOM 68 N ILE A 5 11.185 -2.426 5.718 1.00 0.00 N ATOM 69 CA ILE A 5 10.413 -3.330 6.572 1.00 0.00 C ATOM 70 C ILE A 5 10.420 -2.746 7.997 1.00 0.00 C ATOM 71 O ILE A 5 11.158 -3.226 8.861 1.00 0.00 O ATOM 72 CB ILE A 5 10.927 -4.791 6.473 1.00 0.00 C ATOM 73 CG1 ILE A 5 12.470 -4.923 6.462 1.00 0.00 C ATOM 74 CG2 ILE A 5 10.305 -5.449 5.230 1.00 0.00 C ATOM 75 CD1 ILE A 5 12.963 -6.362 6.659 1.00 0.00 C ATOM 0 H ILE A 5 12.119 -2.245 6.087 1.00 0.00 H new ATOM 0 HA ILE A 5 9.377 -3.396 6.238 1.00 0.00 H new ATOM 0 HB ILE A 5 10.613 -5.308 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.852 -4.543 5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.886 -4.294 7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.658 -6.477 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.219 -5.444 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.597 -4.893 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.053 -6.379 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.611 -6.739 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.576 -6.992 5.858 1.00 0.00 H new ATOM 87 N PRO A 6 9.661 -1.661 8.244 1.00 0.00 N ATOM 88 CA PRO A 6 9.765 -0.902 9.484 1.00 0.00 C ATOM 89 C PRO A 6 9.176 -1.656 10.680 1.00 0.00 C ATOM 90 O PRO A 6 9.750 -1.625 11.770 1.00 0.00 O ATOM 91 CB PRO A 6 9.037 0.418 9.209 1.00 0.00 C ATOM 92 CG PRO A 6 8.000 0.054 8.147 1.00 0.00 C ATOM 93 CD PRO A 6 8.700 -1.039 7.341 1.00 0.00 C ATOM 0 HA PRO A 6 10.805 -0.733 9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.565 0.809 10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.723 1.185 8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.074 -0.306 8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.742 0.911 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.981 -1.772 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.201 -0.619 6.469 1.00 0.00 H new ATOM 101 N GLU A 7 8.044 -2.336 10.477 1.00 0.00 N ATOM 102 CA GLU A 7 7.304 -3.046 11.522 1.00 0.00 C ATOM 103 C GLU A 7 6.342 -4.124 10.960 1.00 0.00 C ATOM 104 O GLU A 7 5.187 -4.172 11.394 1.00 0.00 O ATOM 105 CB GLU A 7 6.583 -2.019 12.430 1.00 0.00 C ATOM 106 CG GLU A 7 5.632 -1.057 11.693 1.00 0.00 C ATOM 107 CD GLU A 7 4.749 -0.277 12.682 1.00 0.00 C ATOM 108 OE1 GLU A 7 3.711 -0.824 13.122 1.00 0.00 O ATOM 109 OE2 GLU A 7 5.072 0.887 13.015 1.00 0.00 O ATOM 0 H GLU A 7 7.607 -2.409 9.558 1.00 0.00 H new ATOM 0 HA GLU A 7 8.020 -3.604 12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.014 -2.561 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.335 -1.431 12.957 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.213 -0.358 11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.001 -1.621 11.006 1.00 0.00 H new ATOM 116 N PRO A 8 6.735 -4.983 9.994 1.00 0.00 N ATOM 117 CA PRO A 8 5.857 -6.056 9.529 1.00 0.00 C ATOM 118 C PRO A 8 5.507 -6.985 10.698 1.00 0.00 C ATOM 119 O PRO A 8 6.385 -7.421 11.448 1.00 0.00 O ATOM 120 CB PRO A 8 6.619 -6.780 8.416 1.00 0.00 C ATOM 121 CG PRO A 8 8.082 -6.514 8.755 1.00 0.00 C ATOM 122 CD PRO A 8 8.055 -5.125 9.394 1.00 0.00 C ATOM 0 HA PRO A 8 4.909 -5.680 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.397 -7.847 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.358 -6.391 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.478 -7.263 9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.710 -6.534 7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.838 -5.027 10.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.230 -4.349 8.648 1.00 0.00 H new ATOM 130 N LYS A 9 4.218 -7.274 10.873 1.00 0.00 N ATOM 131 CA LYS A 9 3.736 -8.158 11.926 1.00 0.00 C ATOM 132 C LYS A 9 3.859 -9.598 11.423 1.00 0.00 C ATOM 133 O LYS A 9 3.643 -9.836 10.231 1.00 0.00 O ATOM 134 CB LYS A 9 2.273 -7.845 12.297 1.00 0.00 C ATOM 135 CG LYS A 9 2.059 -6.444 12.902 1.00 0.00 C ATOM 136 CD LYS A 9 1.785 -5.350 11.851 1.00 0.00 C ATOM 137 CE LYS A 9 1.703 -3.940 12.454 1.00 0.00 C ATOM 138 NZ LYS A 9 3.000 -3.492 13.014 1.00 0.00 N ATOM 0 H LYS A 9 3.476 -6.897 10.283 1.00 0.00 H new ATOM 0 HA LYS A 9 4.333 -8.012 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.655 -7.941 11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.923 -8.593 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.222 -6.483 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.942 -6.168 13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.574 -5.371 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.850 -5.574 11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.379 -3.237 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.947 -3.926 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.057 -2.454 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.076 -3.802 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.778 -3.905 12.461 1.00 0.00 H new ATOM 152 N PRO A 10 4.192 -10.575 12.282 1.00 0.00 N ATOM 153 CA PRO A 10 4.102 -11.988 11.933 1.00 0.00 C ATOM 154 C PRO A 10 2.716 -12.289 11.338 1.00 0.00 C ATOM 155 O PRO A 10 1.694 -11.904 11.908 1.00 0.00 O ATOM 156 CB PRO A 10 4.399 -12.745 13.235 1.00 0.00 C ATOM 157 CG PRO A 10 5.262 -11.760 14.022 1.00 0.00 C ATOM 158 CD PRO A 10 4.653 -10.414 13.651 1.00 0.00 C ATOM 0 HA PRO A 10 4.811 -12.295 11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.484 -12.997 13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.926 -13.680 13.046 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.212 -11.945 15.095 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.312 -11.823 13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.830 -10.156 14.317 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.388 -9.613 13.728 1.00 0.00 H new ATOM 166 N GLY A 11 2.680 -12.942 10.177 1.00 0.00 N ATOM 167 CA GLY A 11 1.459 -13.256 9.450 1.00 0.00 C ATOM 168 C GLY A 11 1.074 -12.185 8.427 1.00 0.00 C ATOM 169 O GLY A 11 -0.002 -12.280 7.837 1.00 0.00 O ATOM 0 H GLY A 11 3.522 -13.274 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.584 -14.210 8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.642 -13.380 10.161 1.00 0.00 H new ATOM 173 N ASP A 12 1.882 -11.140 8.228 1.00 0.00 N ATOM 174 CA ASP A 12 1.616 -10.123 7.208 1.00 0.00 C ATOM 175 C ASP A 12 1.842 -10.700 5.819 1.00 0.00 C ATOM 176 O ASP A 12 2.837 -11.388 5.580 1.00 0.00 O ATOM 177 CB ASP A 12 2.470 -8.862 7.415 1.00 0.00 C ATOM 178 CG ASP A 12 1.857 -7.864 8.411 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.705 -8.068 8.870 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.510 -6.833 8.682 1.00 0.00 O ATOM 0 H ASP A 12 2.733 -10.976 8.766 1.00 0.00 H new ATOM 0 HA ASP A 12 0.572 -9.825 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.458 -9.156 7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.610 -8.366 6.455 1.00 0.00 H new ATOM 185 N LEU A 13 0.923 -10.403 4.898 1.00 0.00 N ATOM 186 CA LEU A 13 1.077 -10.736 3.492 1.00 0.00 C ATOM 187 C LEU A 13 2.199 -9.880 2.914 1.00 0.00 C ATOM 188 O LEU A 13 2.225 -8.666 3.138 1.00 0.00 O ATOM 189 CB LEU A 13 -0.190 -10.437 2.671 1.00 0.00 C ATOM 190 CG LEU A 13 -1.504 -11.178 2.979 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.436 -11.069 1.768 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.253 -12.650 3.307 1.00 0.00 C ATOM 0 H LEU A 13 0.049 -9.923 5.114 1.00 0.00 H new ATOM 0 HA LEU A 13 1.287 -11.804 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.391 -9.370 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.050 -10.626 1.625 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.965 -10.716 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.369 -11.592 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.646 -10.019 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.957 -11.519 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.202 -13.142 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.774 -13.136 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.603 -12.723 4.179 1.00 0.00 H new ATOM 204 N ILE A 14 3.045 -10.487 2.091 1.00 0.00 N ATOM 205 CA ILE A 14 4.096 -9.825 1.340 1.00 0.00 C ATOM 206 C ILE A 14 3.793 -10.090 -0.131 1.00 0.00 C ATOM 207 O ILE A 14 3.534 -11.233 -0.519 1.00 0.00 O ATOM 208 CB ILE A 14 5.484 -10.393 1.723 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.789 -10.367 3.239 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.595 -9.675 0.932 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.815 -8.970 3.872 1.00 0.00 C ATOM 0 H ILE A 14 3.014 -11.493 1.924 1.00 0.00 H new ATOM 0 HA ILE A 14 4.124 -8.757 1.554 1.00 0.00 H new ATOM 0 HB ILE A 14 5.458 -11.448 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.041 -10.969 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.754 -10.844 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.565 -10.086 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.434 -9.822 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.573 -8.609 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.037 -9.057 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.583 -8.366 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.844 -8.493 3.741 1.00 0.00 H new ATOM 223 N GLU A 15 3.862 -9.048 -0.951 1.00 0.00 N ATOM 224 CA GLU A 15 3.852 -9.179 -2.396 1.00 0.00 C ATOM 225 C GLU A 15 5.289 -8.944 -2.858 1.00 0.00 C ATOM 226 O GLU A 15 6.024 -8.154 -2.262 1.00 0.00 O ATOM 227 CB GLU A 15 2.835 -8.224 -3.034 1.00 0.00 C ATOM 228 CG GLU A 15 3.264 -6.749 -3.006 1.00 0.00 C ATOM 229 CD GLU A 15 2.212 -5.800 -3.608 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.999 -6.107 -3.610 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.613 -4.712 -4.074 1.00 0.00 O ATOM 0 H GLU A 15 3.927 -8.083 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 15 3.527 -10.170 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.669 -8.524 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.882 -8.325 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.462 -6.454 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.199 -6.639 -3.555 1.00 0.00 H new ATOM 238 N ILE A 16 5.679 -9.637 -3.916 1.00 0.00 N ATOM 239 CA ILE A 16 7.028 -9.769 -4.434 1.00 0.00 C ATOM 240 C ILE A 16 6.910 -9.392 -5.910 1.00 0.00 C ATOM 241 O ILE A 16 6.225 -10.077 -6.668 1.00 0.00 O ATOM 242 CB ILE A 16 7.501 -11.237 -4.269 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.384 -11.841 -2.849 1.00 0.00 C ATOM 244 CG2 ILE A 16 8.921 -11.426 -4.832 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.383 -11.296 -1.831 1.00 0.00 C ATOM 0 H ILE A 16 5.007 -10.161 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 16 7.752 -9.141 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 16 6.785 -11.810 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.375 -11.663 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.512 -12.921 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.228 -12.464 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.929 -11.174 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.613 -10.774 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.221 -11.780 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.398 -11.498 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.244 -10.220 -1.724 1.00 0.00 H new ATOM 257 N PHE A 17 7.543 -8.307 -6.335 1.00 0.00 N ATOM 258 CA PHE A 17 7.655 -8.003 -7.762 1.00 0.00 C ATOM 259 C PHE A 17 8.670 -8.971 -8.370 1.00 0.00 C ATOM 260 O PHE A 17 9.706 -9.242 -7.756 1.00 0.00 O ATOM 261 CB PHE A 17 8.097 -6.548 -7.971 1.00 0.00 C ATOM 262 CG PHE A 17 6.968 -5.531 -8.048 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.932 -5.511 -7.090 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.944 -4.600 -9.107 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.879 -4.586 -7.204 1.00 0.00 C ATOM 266 CE2 PHE A 17 5.900 -3.663 -9.209 1.00 0.00 C ATOM 267 CZ PHE A 17 4.865 -3.657 -8.259 1.00 0.00 C ATOM 0 H PHE A 17 7.985 -7.624 -5.720 1.00 0.00 H new ATOM 0 HA PHE A 17 6.687 -8.121 -8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.762 -6.267 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.679 -6.491 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.948 -6.209 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.733 -4.607 -9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.079 -4.589 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.894 -2.948 -10.018 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.061 -2.941 -8.339 1.00 0.00 H new ATOM 277 N ARG A 18 8.406 -9.473 -9.581 1.00 0.00 N ATOM 278 CA ARG A 18 9.289 -10.387 -10.294 1.00 0.00 C ATOM 279 C ARG A 18 9.542 -9.861 -11.713 1.00 0.00 C ATOM 280 O ARG A 18 8.852 -8.933 -12.141 1.00 0.00 O ATOM 281 CB ARG A 18 8.643 -11.782 -10.265 1.00 0.00 C ATOM 282 CG ARG A 18 8.685 -12.397 -8.855 1.00 0.00 C ATOM 283 CD ARG A 18 9.048 -13.881 -8.921 1.00 0.00 C ATOM 284 NE ARG A 18 9.670 -14.350 -7.675 1.00 0.00 N ATOM 285 CZ ARG A 18 9.628 -15.592 -7.186 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.928 -16.548 -7.796 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.309 -15.854 -6.075 1.00 0.00 N ATOM 0 H ARG A 18 7.556 -9.248 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 18 10.268 -10.458 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.608 -11.711 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.161 -12.438 -10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.415 -11.866 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.716 -12.276 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.150 -14.466 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.731 -14.051 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 18 10.185 -13.659 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.413 -16.337 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.907 -17.491 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.845 -15.115 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.296 -16.794 -5.678 1.00 0.00 H new ATOM 301 N PRO A 19 10.522 -10.416 -12.455 1.00 0.00 N ATOM 302 CA PRO A 19 10.985 -9.850 -13.725 1.00 0.00 C ATOM 303 C PRO A 19 9.909 -9.574 -14.788 1.00 0.00 C ATOM 304 O PRO A 19 10.105 -8.688 -15.624 1.00 0.00 O ATOM 305 CB PRO A 19 12.049 -10.823 -14.243 1.00 0.00 C ATOM 306 CG PRO A 19 12.632 -11.411 -12.962 1.00 0.00 C ATOM 307 CD PRO A 19 11.420 -11.495 -12.040 1.00 0.00 C ATOM 0 HA PRO A 19 11.367 -8.848 -13.531 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.615 -11.594 -14.879 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.809 -10.312 -14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.077 -12.391 -13.134 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.413 -10.775 -12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.930 -12.465 -12.126 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.714 -11.378 -10.997 1.00 0.00 H new ATOM 315 N PHE A 20 8.788 -10.305 -14.773 1.00 0.00 N ATOM 316 CA PHE A 20 7.700 -10.170 -15.748 1.00 0.00 C ATOM 317 C PHE A 20 6.305 -10.357 -15.121 1.00 0.00 C ATOM 318 O PHE A 20 5.311 -10.430 -15.848 1.00 0.00 O ATOM 319 CB PHE A 20 7.937 -11.166 -16.902 1.00 0.00 C ATOM 320 CG PHE A 20 7.941 -12.634 -16.500 1.00 0.00 C ATOM 321 CD1 PHE A 20 6.739 -13.370 -16.475 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.148 -13.271 -16.152 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.743 -14.722 -16.084 1.00 0.00 C ATOM 324 CE2 PHE A 20 9.153 -14.621 -15.761 1.00 0.00 C ATOM 325 CZ PHE A 20 7.949 -15.347 -15.723 1.00 0.00 C ATOM 0 H PHE A 20 8.609 -11.021 -14.069 1.00 0.00 H new ATOM 0 HA PHE A 20 7.712 -9.150 -16.132 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.165 -11.014 -17.656 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.892 -10.932 -17.372 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.811 -12.894 -16.757 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.075 -12.719 -16.186 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.818 -15.280 -16.061 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.082 -15.101 -15.490 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.951 -16.383 -15.417 1.00 0.00 H new ATOM 335 N TYR A 21 6.212 -10.476 -13.793 1.00 0.00 N ATOM 336 CA TYR A 21 5.000 -10.865 -13.070 1.00 0.00 C ATOM 337 C TYR A 21 5.136 -10.438 -11.605 1.00 0.00 C ATOM 338 O TYR A 21 6.066 -9.705 -11.259 1.00 0.00 O ATOM 339 CB TYR A 21 4.736 -12.381 -13.216 1.00 0.00 C ATOM 340 CG TYR A 21 5.656 -13.363 -12.490 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.033 -13.426 -12.783 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.109 -14.293 -11.585 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.836 -14.447 -12.239 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.909 -15.291 -11.002 1.00 0.00 C ATOM 345 CZ TYR A 21 7.273 -15.392 -11.351 1.00 0.00 C ATOM 346 OH TYR A 21 8.042 -16.372 -10.790 1.00 0.00 O ATOM 0 H TYR A 21 7.003 -10.299 -13.174 1.00 0.00 H new ATOM 0 HA TYR A 21 4.134 -10.359 -13.497 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.717 -12.572 -12.879 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.770 -12.621 -14.279 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.477 -12.684 -13.431 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.060 -14.239 -11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.882 -14.508 -12.500 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.481 -15.979 -10.288 1.00 0.00 H new ATOM 0 HH TYR A 21 8.962 -16.049 -10.690 1.00 0.00 H new ATOM 356 N ARG A 22 4.244 -10.900 -10.726 1.00 0.00 N ATOM 357 CA ARG A 22 4.412 -10.740 -9.285 1.00 0.00 C ATOM 358 C ARG A 22 4.062 -12.042 -8.588 1.00 0.00 C ATOM 359 O ARG A 22 3.378 -12.895 -9.154 1.00 0.00 O ATOM 360 CB ARG A 22 3.650 -9.507 -8.756 1.00 0.00 C ATOM 361 CG ARG A 22 2.157 -9.395 -9.102 1.00 0.00 C ATOM 362 CD ARG A 22 1.237 -10.345 -8.324 1.00 0.00 C ATOM 363 NE ARG A 22 -0.175 -9.985 -8.582 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.275 -10.607 -8.141 1.00 0.00 C ATOM 365 NH1 ARG A 22 -1.226 -11.810 -7.588 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.461 -10.024 -8.201 1.00 0.00 N ATOM 0 H ARG A 22 3.391 -11.392 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 22 5.457 -10.531 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.746 -9.492 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.151 -8.615 -9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.833 -8.370 -8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.032 -9.584 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.422 -11.376 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.450 -10.282 -7.257 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.329 -9.163 -9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.331 -12.289 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.083 -12.257 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.548 -9.084 -8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.288 -10.514 -7.860 1.00 0.00 H new ATOM 380 N HIS A 23 4.527 -12.176 -7.360 1.00 0.00 N ATOM 381 CA HIS A 23 4.463 -13.373 -6.542 1.00 0.00 C ATOM 382 C HIS A 23 4.069 -12.955 -5.122 1.00 0.00 C ATOM 383 O HIS A 23 4.043 -11.759 -4.817 1.00 0.00 O ATOM 384 CB HIS A 23 5.839 -14.069 -6.614 1.00 0.00 C ATOM 385 CG HIS A 23 5.980 -15.290 -5.746 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.045 -16.320 -5.667 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.012 -15.554 -4.893 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.547 -17.193 -4.775 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.725 -16.762 -4.301 1.00 0.00 N ATOM 0 H HIS A 23 4.988 -11.405 -6.877 1.00 0.00 H new ATOM 0 HA HIS A 23 3.716 -14.086 -6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.032 -14.353 -7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.608 -13.350 -6.332 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.165 -16.396 -6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.881 -14.937 -4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.067 -18.115 -4.481 1.00 0.00 H new ATOM 397 N TRP A 24 3.736 -13.910 -4.257 1.00 0.00 N ATOM 398 CA TRP A 24 3.232 -13.644 -2.916 1.00 0.00 C ATOM 399 C TRP A 24 3.850 -14.603 -1.913 1.00 0.00 C ATOM 400 O TRP A 24 4.124 -15.762 -2.226 1.00 0.00 O ATOM 401 CB TRP A 24 1.708 -13.776 -2.893 1.00 0.00 C ATOM 402 CG TRP A 24 0.978 -12.631 -3.509 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.728 -12.454 -4.822 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.406 -11.474 -2.837 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.042 -11.268 -5.000 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.202 -10.630 -3.808 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.343 -11.063 -1.495 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.869 -9.446 -3.466 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.307 -9.865 -1.139 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.922 -9.066 -2.117 1.00 0.00 C ATOM 0 H TRP A 24 3.811 -14.904 -4.473 1.00 0.00 H new ATOM 0 HA TRP A 24 3.507 -12.626 -2.639 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.428 -14.692 -3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.381 -13.885 -1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.018 -13.133 -5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.249 -10.909 -5.909 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.798 -11.672 -0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.334 -8.837 -4.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.333 -9.558 -0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.435 -8.160 -1.830 1.00 0.00 H new ATOM 421 N ALA A 25 4.016 -14.105 -0.690 1.00 0.00 N ATOM 422 CA ALA A 25 4.566 -14.804 0.454 1.00 0.00 C ATOM 423 C ALA A 25 3.881 -14.260 1.714 1.00 0.00 C ATOM 424 O ALA A 25 3.107 -13.303 1.643 1.00 0.00 O ATOM 425 CB ALA A 25 6.081 -14.565 0.490 1.00 0.00 C ATOM 0 H ALA A 25 3.753 -13.146 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 25 4.391 -15.878 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.511 -15.085 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.531 -14.943 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.279 -13.497 0.577 1.00 0.00 H new ATOM 431 N ILE A 26 4.168 -14.841 2.874 1.00 0.00 N ATOM 432 CA ILE A 26 3.665 -14.370 4.155 1.00 0.00 C ATOM 433 C ILE A 26 4.841 -14.329 5.125 1.00 0.00 C ATOM 434 O ILE A 26 5.634 -15.267 5.149 1.00 0.00 O ATOM 435 CB ILE A 26 2.502 -15.292 4.584 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.513 -14.528 5.476 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.974 -16.599 5.237 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.210 -15.311 5.622 1.00 0.00 C ATOM 0 H ILE A 26 4.765 -15.664 2.950 1.00 0.00 H new ATOM 0 HA ILE A 26 3.254 -13.361 4.118 1.00 0.00 H new ATOM 0 HB ILE A 26 1.983 -15.595 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.955 -14.360 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.309 -13.547 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.108 -17.200 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.592 -17.156 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.558 -16.370 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.479 -14.755 6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.239 -15.457 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.417 -16.281 6.074 1.00 0.00 H new ATOM 450 N TYR A 27 4.988 -13.244 5.882 1.00 0.00 N ATOM 451 CA TYR A 27 6.031 -13.055 6.879 1.00 0.00 C ATOM 452 C TYR A 27 5.788 -14.015 8.041 1.00 0.00 C ATOM 453 O TYR A 27 4.665 -14.094 8.544 1.00 0.00 O ATOM 454 CB TYR A 27 5.986 -11.589 7.337 1.00 0.00 C ATOM 455 CG TYR A 27 7.173 -11.120 8.158 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.436 -10.992 7.551 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.002 -10.729 9.498 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.512 -10.439 8.266 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.078 -10.198 10.231 1.00 0.00 C ATOM 460 CZ TYR A 27 9.337 -10.032 9.609 1.00 0.00 C ATOM 461 OH TYR A 27 10.380 -9.480 10.286 1.00 0.00 O ATOM 0 H TYR A 27 4.359 -12.444 5.813 1.00 0.00 H new ATOM 0 HA TYR A 27 7.019 -13.268 6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.904 -10.954 6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.080 -11.438 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.579 -11.320 6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.036 -10.838 9.968 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.474 -10.325 7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.943 -9.918 11.265 1.00 0.00 H new ATOM 0 HH TYR A 27 10.126 -9.342 11.222 1.00 0.00 H new ATOM 471 N VAL A 28 6.826 -14.712 8.494 1.00 0.00 N ATOM 472 CA VAL A 28 6.766 -15.626 9.636 1.00 0.00 C ATOM 473 C VAL A 28 8.024 -15.470 10.498 1.00 0.00 C ATOM 474 O VAL A 28 9.024 -14.884 10.063 1.00 0.00 O ATOM 475 CB VAL A 28 6.515 -17.095 9.200 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.302 -17.267 8.272 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.725 -17.757 8.532 1.00 0.00 C ATOM 0 H VAL A 28 7.752 -14.658 8.071 1.00 0.00 H new ATOM 0 HA VAL A 28 5.906 -15.356 10.249 1.00 0.00 H new ATOM 0 HB VAL A 28 6.313 -17.597 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.190 -18.319 8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.402 -16.923 8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.452 -16.681 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.473 -18.781 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.999 -17.197 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.565 -17.765 9.227 1.00 0.00 H new ATOM 487 N GLY A 29 7.985 -16.016 11.721 1.00 0.00 N ATOM 488 CA GLY A 29 9.007 -15.762 12.727 1.00 0.00 C ATOM 489 C GLY A 29 9.116 -14.250 12.893 1.00 0.00 C ATOM 490 O GLY A 29 8.117 -13.589 13.177 1.00 0.00 O ATOM 0 H GLY A 29 7.244 -16.643 12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.741 -16.234 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.963 -16.184 12.418 1.00 0.00 H new ATOM 494 N ASP A 30 10.305 -13.703 12.653 1.00 0.00 N ATOM 495 CA ASP A 30 10.522 -12.264 12.529 1.00 0.00 C ATOM 496 C ASP A 30 11.632 -12.033 11.494 1.00 0.00 C ATOM 497 O ASP A 30 12.658 -11.405 11.774 1.00 0.00 O ATOM 498 CB ASP A 30 10.833 -11.627 13.889 1.00 0.00 C ATOM 499 CG ASP A 30 10.977 -10.096 13.777 1.00 0.00 C ATOM 500 OD1 ASP A 30 10.251 -9.464 12.974 1.00 0.00 O ATOM 501 OD2 ASP A 30 11.792 -9.511 14.529 1.00 0.00 O ATOM 0 H ASP A 30 11.156 -14.254 12.538 1.00 0.00 H new ATOM 0 HA ASP A 30 9.613 -11.773 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.038 -11.868 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.754 -12.052 14.289 1.00 0.00 H new ATOM 506 N GLY A 31 11.482 -12.647 10.314 1.00 0.00 N ATOM 507 CA GLY A 31 12.435 -12.498 9.215 1.00 0.00 C ATOM 508 C GLY A 31 12.322 -13.576 8.139 1.00 0.00 C ATOM 509 O GLY A 31 12.920 -13.433 7.071 1.00 0.00 O ATOM 0 H GLY A 31 10.696 -13.260 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.289 -11.522 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.446 -12.511 9.621 1.00 0.00 H new ATOM 513 N TYR A 32 11.582 -14.655 8.394 1.00 0.00 N ATOM 514 CA TYR A 32 11.344 -15.707 7.416 1.00 0.00 C ATOM 515 C TYR A 32 10.051 -15.407 6.665 1.00 0.00 C ATOM 516 O TYR A 32 9.284 -14.515 7.038 1.00 0.00 O ATOM 517 CB TYR A 32 11.298 -17.066 8.128 1.00 0.00 C ATOM 518 CG TYR A 32 12.661 -17.581 8.552 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.230 -17.165 9.773 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.362 -18.473 7.718 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.498 -17.638 10.158 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.631 -18.946 8.096 1.00 0.00 C ATOM 523 CZ TYR A 32 15.205 -18.531 9.319 1.00 0.00 C ATOM 524 OH TYR A 32 16.437 -18.993 9.674 1.00 0.00 O ATOM 0 H TYR A 32 11.129 -14.821 9.293 1.00 0.00 H new ATOM 0 HA TYR A 32 12.154 -15.745 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.661 -16.983 9.009 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.833 -17.797 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.692 -16.482 10.414 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.924 -18.795 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 32 14.932 -17.319 11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.167 -19.627 7.452 1.00 0.00 H new ATOM 0 HH TYR A 32 16.773 -19.597 8.979 1.00 0.00 H new ATOM 534 N VAL A 33 9.784 -16.183 5.622 1.00 0.00 N ATOM 535 CA VAL A 33 8.521 -16.185 4.910 1.00 0.00 C ATOM 536 C VAL A 33 8.120 -17.615 4.560 1.00 0.00 C ATOM 537 O VAL A 33 8.976 -18.492 4.444 1.00 0.00 O ATOM 538 CB VAL A 33 8.585 -15.317 3.633 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.611 -13.813 3.924 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.764 -15.678 2.718 1.00 0.00 C ATOM 0 H VAL A 33 10.461 -16.844 5.241 1.00 0.00 H new ATOM 0 HA VAL A 33 7.766 -15.750 5.566 1.00 0.00 H new ATOM 0 HB VAL A 33 7.658 -15.548 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.656 -13.261 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.709 -13.532 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.487 -13.574 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.753 -15.033 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.700 -15.539 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.677 -16.719 2.406 1.00 0.00 H new ATOM 550 N VAL A 34 6.824 -17.829 4.340 1.00 0.00 N ATOM 551 CA VAL A 34 6.252 -19.043 3.773 1.00 0.00 C ATOM 552 C VAL A 34 5.596 -18.630 2.456 1.00 0.00 C ATOM 553 O VAL A 34 4.986 -17.559 2.371 1.00 0.00 O ATOM 554 CB VAL A 34 5.288 -19.696 4.789 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.411 -20.801 4.186 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.102 -20.273 5.948 1.00 0.00 C ATOM 0 H VAL A 34 6.116 -17.129 4.563 1.00 0.00 H new ATOM 0 HA VAL A 34 6.997 -19.811 3.565 1.00 0.00 H new ATOM 0 HB VAL A 34 4.610 -18.913 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.761 -21.212 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.802 -20.385 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.046 -21.592 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.429 -20.736 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.797 -21.022 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.661 -19.473 6.434 1.00 0.00 H new ATOM 566 N HIS A 35 5.761 -19.442 1.413 1.00 0.00 N ATOM 567 CA HIS A 35 5.289 -19.146 0.062 1.00 0.00 C ATOM 568 C HIS A 35 5.201 -20.428 -0.764 1.00 0.00 C ATOM 569 O HIS A 35 5.691 -21.475 -0.339 1.00 0.00 O ATOM 570 CB HIS A 35 6.218 -18.118 -0.616 1.00 0.00 C ATOM 571 CG HIS A 35 7.601 -18.582 -1.022 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.297 -18.091 -2.132 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.408 -19.462 -0.355 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.496 -18.699 -2.112 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.589 -19.524 -1.057 1.00 0.00 N ATOM 0 H HIS A 35 6.236 -20.342 1.485 1.00 0.00 H new ATOM 0 HA HIS A 35 4.290 -18.714 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.713 -17.746 -1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.333 -17.272 0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.963 -17.412 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.165 -20.003 0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.276 -18.545 -2.843 1.00 0.00 H new ATOM 583 N LEU A 36 4.585 -20.361 -1.947 1.00 0.00 N ATOM 584 CA LEU A 36 4.640 -21.455 -2.913 1.00 0.00 C ATOM 585 C LEU A 36 5.949 -21.312 -3.684 1.00 0.00 C ATOM 586 O LEU A 36 6.331 -20.199 -4.050 1.00 0.00 O ATOM 587 CB LEU A 36 3.456 -21.408 -3.900 1.00 0.00 C ATOM 588 CG LEU A 36 2.132 -22.044 -3.439 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.260 -23.549 -3.186 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.562 -21.380 -2.189 1.00 0.00 C ATOM 0 H LEU A 36 4.041 -19.556 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 36 4.583 -22.407 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.262 -20.364 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.765 -21.901 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 36 1.443 -21.881 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.298 -23.947 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.569 -24.047 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.004 -23.725 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.629 -21.870 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.277 -21.470 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.372 -20.326 -2.391 1.00 0.00 H new ATOM 602 N ALA A 37 6.612 -22.431 -3.971 1.00 0.00 N ATOM 603 CA ALA A 37 7.854 -22.487 -4.732 1.00 0.00 C ATOM 604 C ALA A 37 7.934 -23.829 -5.477 1.00 0.00 C ATOM 605 O ALA A 37 7.190 -24.755 -5.143 1.00 0.00 O ATOM 606 CB ALA A 37 9.027 -22.326 -3.756 1.00 0.00 C ATOM 0 H ALA A 37 6.288 -23.350 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 37 7.893 -21.686 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.967 -22.365 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.946 -21.367 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.003 -23.131 -3.022 1.00 0.00 H new ATOM 612 N PRO A 38 8.812 -23.968 -6.487 1.00 0.00 N ATOM 613 CA PRO A 38 9.107 -25.259 -7.099 1.00 0.00 C ATOM 614 C PRO A 38 9.635 -26.281 -6.073 1.00 0.00 C ATOM 615 O PRO A 38 10.226 -25.873 -5.062 1.00 0.00 O ATOM 616 CB PRO A 38 10.161 -24.983 -8.176 1.00 0.00 C ATOM 617 CG PRO A 38 9.979 -23.501 -8.493 1.00 0.00 C ATOM 618 CD PRO A 38 9.558 -22.909 -7.150 1.00 0.00 C ATOM 0 HA PRO A 38 8.201 -25.699 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.167 -25.194 -7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.003 -25.603 -9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.901 -23.051 -8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.220 -23.343 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.425 -22.610 -6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.943 -22.019 -7.287 1.00 0.00 H new ATOM 626 N PRO A 39 9.498 -27.595 -6.338 1.00 0.00 N ATOM 627 CA PRO A 39 10.133 -28.639 -5.538 1.00 0.00 C ATOM 628 C PRO A 39 11.650 -28.403 -5.463 1.00 0.00 C ATOM 629 O PRO A 39 12.292 -28.174 -6.491 1.00 0.00 O ATOM 630 CB PRO A 39 9.817 -29.970 -6.237 1.00 0.00 C ATOM 631 CG PRO A 39 8.675 -29.656 -7.202 1.00 0.00 C ATOM 632 CD PRO A 39 8.830 -28.169 -7.498 1.00 0.00 C ATOM 0 HA PRO A 39 9.761 -28.641 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.688 -30.352 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.524 -30.733 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.748 -30.252 -8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.705 -29.874 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.416 -28.011 -8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.859 -27.700 -7.660 1.00 0.00 H new ATOM 640 N SER A 40 12.236 -28.486 -4.266 1.00 0.00 N ATOM 641 CA SER A 40 13.629 -28.111 -4.015 1.00 0.00 C ATOM 642 C SER A 40 14.665 -28.972 -4.749 1.00 0.00 C ATOM 643 O SER A 40 15.800 -28.525 -4.922 1.00 0.00 O ATOM 644 CB SER A 40 13.878 -28.154 -2.506 1.00 0.00 C ATOM 645 OG SER A 40 12.891 -27.374 -1.852 1.00 0.00 O ATOM 0 H SER A 40 11.750 -28.820 -3.434 1.00 0.00 H new ATOM 0 HA SER A 40 13.764 -27.106 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.843 -29.183 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.873 -27.771 -2.278 1.00 0.00 H new ATOM 0 HG SER A 40 13.043 -27.398 -0.884 1.00 0.00 H new ATOM 651 N GLU A 41 14.293 -30.173 -5.207 1.00 0.00 N ATOM 652 CA GLU A 41 15.198 -31.091 -5.908 1.00 0.00 C ATOM 653 C GLU A 41 14.682 -31.438 -7.309 1.00 0.00 C ATOM 654 O GLU A 41 15.212 -32.337 -7.956 1.00 0.00 O ATOM 655 CB GLU A 41 15.456 -32.339 -5.044 1.00 0.00 C ATOM 656 CG GLU A 41 16.132 -32.011 -3.703 1.00 0.00 C ATOM 657 CD GLU A 41 16.463 -33.287 -2.910 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.608 -33.772 -2.134 1.00 0.00 O ATOM 659 OE2 GLU A 41 17.593 -33.814 -3.036 1.00 0.00 O ATOM 0 H GLU A 41 13.347 -30.538 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 41 16.154 -30.590 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.509 -32.844 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.083 -33.036 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.047 -31.447 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.476 -31.373 -3.110 1.00 0.00 H new ATOM 666 N VAL A 42 13.680 -30.680 -7.765 1.00 0.00 N ATOM 667 CA VAL A 42 12.878 -30.753 -8.996 1.00 0.00 C ATOM 668 C VAL A 42 12.297 -32.116 -9.419 1.00 0.00 C ATOM 669 O VAL A 42 11.157 -32.149 -9.884 1.00 0.00 O ATOM 670 CB VAL A 42 13.568 -30.016 -10.169 1.00 0.00 C ATOM 671 CG1 VAL A 42 13.541 -28.496 -9.941 1.00 0.00 C ATOM 672 CG2 VAL A 42 15.016 -30.440 -10.451 1.00 0.00 C ATOM 0 H VAL A 42 13.368 -29.890 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 42 11.971 -30.223 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 42 12.986 -30.303 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.031 -27.994 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.507 -28.157 -9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.066 -28.257 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.407 -29.865 -11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.628 -30.255 -9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.043 -31.502 -10.695 1.00 0.00 H new ATOM 682 N ALA A 43 13.008 -33.228 -9.274 1.00 0.00 N ATOM 683 CA ALA A 43 12.614 -34.537 -9.778 1.00 0.00 C ATOM 684 C ALA A 43 13.251 -35.645 -8.930 1.00 0.00 C ATOM 685 O ALA A 43 14.188 -35.396 -8.168 1.00 0.00 O ATOM 686 CB ALA A 43 13.069 -34.657 -11.240 1.00 0.00 C ATOM 0 H ALA A 43 13.904 -33.243 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 43 11.531 -34.645 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.781 -35.633 -11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.597 -33.874 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.152 -34.550 -11.294 1.00 0.00 H new ATOM 692 N GLY A 44 12.768 -36.877 -9.098 1.00 0.00 N ATOM 693 CA GLY A 44 13.288 -38.051 -8.401 1.00 0.00 C ATOM 694 C GLY A 44 12.841 -39.370 -9.034 1.00 0.00 C ATOM 695 O GLY A 44 12.831 -40.397 -8.351 1.00 0.00 O ATOM 0 H GLY A 44 11.996 -37.088 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.377 -38.009 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.961 -38.024 -7.362 1.00 0.00 H new ATOM 699 N ALA A 45 12.444 -39.356 -10.313 1.00 0.00 N ATOM 700 CA ALA A 45 12.030 -40.526 -11.076 1.00 0.00 C ATOM 701 C ALA A 45 12.262 -40.247 -12.562 1.00 0.00 C ATOM 702 O ALA A 45 12.277 -39.086 -12.982 1.00 0.00 O ATOM 703 CB ALA A 45 10.541 -40.813 -10.825 1.00 0.00 C ATOM 0 H ALA A 45 12.403 -38.495 -10.859 1.00 0.00 H new ATOM 0 HA ALA A 45 12.610 -41.395 -10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.238 -41.689 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.381 -41.001 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.947 -39.953 -11.135 1.00 0.00 H new ATOM 709 N GLY A 46 12.372 -41.306 -13.369 1.00 0.00 N ATOM 710 CA GLY A 46 12.572 -41.217 -14.816 1.00 0.00 C ATOM 711 C GLY A 46 11.385 -40.592 -15.558 1.00 0.00 C ATOM 712 O GLY A 46 11.527 -40.202 -16.718 1.00 0.00 O ATOM 0 H GLY A 46 12.324 -42.266 -13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.467 -40.628 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.753 -42.216 -15.212 1.00 0.00 H new ATOM 716 N ALA A 47 10.226 -40.464 -14.897 1.00 0.00 N ATOM 717 CA ALA A 47 9.054 -39.762 -15.409 1.00 0.00 C ATOM 718 C ALA A 47 9.282 -38.247 -15.575 1.00 0.00 C ATOM 719 O ALA A 47 8.422 -37.570 -16.146 1.00 0.00 O ATOM 720 CB ALA A 47 7.868 -40.024 -14.472 1.00 0.00 C ATOM 0 H ALA A 47 10.080 -40.858 -13.968 1.00 0.00 H new ATOM 0 HA ALA A 47 8.846 -40.149 -16.407 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.987 -39.503 -14.846 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.667 -41.094 -14.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.107 -39.661 -13.472 1.00 0.00 H new ATOM 726 N ALA A 48 10.405 -37.704 -15.091 1.00 0.00 N ATOM 727 CA ALA A 48 10.772 -36.298 -15.204 1.00 0.00 C ATOM 728 C ALA A 48 12.252 -36.178 -15.591 1.00 0.00 C ATOM 729 O ALA A 48 13.013 -37.147 -15.500 1.00 0.00 O ATOM 730 CB ALA A 48 10.473 -35.592 -13.875 1.00 0.00 C ATOM 0 H ALA A 48 11.104 -38.255 -14.593 1.00 0.00 H new ATOM 0 HA ALA A 48 10.186 -35.816 -15.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.745 -34.539 -13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.410 -35.676 -13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.051 -36.058 -13.077 1.00 0.00 H new ATOM 736 N SER A 49 12.653 -34.973 -15.998 1.00 0.00 N ATOM 737 CA SER A 49 13.946 -34.688 -16.622 1.00 0.00 C ATOM 738 C SER A 49 14.531 -33.381 -16.063 1.00 0.00 C ATOM 739 O SER A 49 15.037 -32.549 -16.815 1.00 0.00 O ATOM 740 CB SER A 49 13.762 -34.649 -18.151 1.00 0.00 C ATOM 741 OG SER A 49 13.114 -35.820 -18.632 1.00 0.00 O ATOM 0 H SER A 49 12.069 -34.143 -15.899 1.00 0.00 H new ATOM 0 HA SER A 49 14.664 -35.474 -16.388 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.177 -33.771 -18.425 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.735 -34.547 -18.632 1.00 0.00 H new ATOM 0 HG SER A 49 13.012 -35.761 -19.605 1.00 0.00 H new ATOM 747 N VAL A 50 14.395 -33.178 -14.742 1.00 0.00 N ATOM 748 CA VAL A 50 14.813 -31.995 -13.970 1.00 0.00 C ATOM 749 C VAL A 50 14.325 -30.645 -14.539 1.00 0.00 C ATOM 750 O VAL A 50 14.843 -29.587 -14.179 1.00 0.00 O ATOM 751 CB VAL A 50 16.327 -32.050 -13.616 1.00 0.00 C ATOM 752 CG1 VAL A 50 16.664 -33.310 -12.801 1.00 0.00 C ATOM 753 CG2 VAL A 50 17.291 -31.976 -14.809 1.00 0.00 C ATOM 0 H VAL A 50 13.961 -33.882 -14.145 1.00 0.00 H new ATOM 0 HA VAL A 50 14.280 -32.046 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 50 16.483 -31.143 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.729 -33.319 -12.569 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.091 -33.308 -11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.411 -34.197 -13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.319 -32.022 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.103 -32.813 -15.481 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.136 -31.039 -15.345 1.00 0.00 H new ATOM 763 N MET A 51 13.300 -30.656 -15.398 1.00 0.00 N ATOM 764 CA MET A 51 12.710 -29.467 -16.011 1.00 0.00 C ATOM 765 C MET A 51 11.823 -28.680 -15.034 1.00 0.00 C ATOM 766 O MET A 51 11.417 -27.562 -15.347 1.00 0.00 O ATOM 767 CB MET A 51 11.916 -29.869 -17.271 1.00 0.00 C ATOM 768 CG MET A 51 10.608 -30.636 -17.012 1.00 0.00 C ATOM 769 SD MET A 51 10.767 -32.292 -16.282 1.00 0.00 S ATOM 770 CE MET A 51 9.012 -32.684 -16.054 1.00 0.00 C ATOM 0 H MET A 51 12.846 -31.520 -15.693 1.00 0.00 H new ATOM 0 HA MET A 51 13.526 -28.802 -16.293 1.00 0.00 H new ATOM 0 HB2 MET A 51 11.682 -28.966 -17.835 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.558 -30.483 -17.903 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.984 -30.032 -16.354 1.00 0.00 H new ATOM 0 HG3 MET A 51 10.075 -30.731 -17.958 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.915 -33.675 -15.611 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.557 -31.946 -15.394 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.507 -32.667 -17.020 1.00 0.00 H new ATOM 780 N SER A 52 11.513 -29.247 -13.865 1.00 0.00 N ATOM 781 CA SER A 52 10.518 -28.780 -12.905 1.00 0.00 C ATOM 782 C SER A 52 10.830 -27.443 -12.207 1.00 0.00 C ATOM 783 O SER A 52 10.238 -27.141 -11.170 1.00 0.00 O ATOM 784 CB SER A 52 10.248 -29.897 -11.884 1.00 0.00 C ATOM 785 OG SER A 52 10.597 -31.185 -12.377 1.00 0.00 O ATOM 0 H SER A 52 11.981 -30.096 -13.547 1.00 0.00 H new ATOM 0 HA SER A 52 9.623 -28.555 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.812 -29.696 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.192 -29.889 -11.613 1.00 0.00 H new ATOM 0 HG SER A 52 10.857 -31.762 -11.629 1.00 0.00 H new ATOM 791 N ALA A 53 11.759 -26.633 -12.735 1.00 0.00 N ATOM 792 CA ALA A 53 11.945 -25.251 -12.299 1.00 0.00 C ATOM 793 C ALA A 53 10.636 -24.462 -12.487 1.00 0.00 C ATOM 794 O ALA A 53 10.374 -23.511 -11.752 1.00 0.00 O ATOM 795 CB ALA A 53 13.093 -24.610 -13.086 1.00 0.00 C ATOM 0 H ALA A 53 12.399 -26.922 -13.475 1.00 0.00 H new ATOM 0 HA ALA A 53 12.204 -25.234 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.228 -23.579 -12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.011 -25.170 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.857 -24.624 -14.150 1.00 0.00 H new ATOM 801 N LEU A 54 9.811 -24.873 -13.457 1.00 0.00 N ATOM 802 CA LEU A 54 8.430 -24.455 -13.642 1.00 0.00 C ATOM 803 C LEU A 54 7.729 -25.652 -14.281 1.00 0.00 C ATOM 804 O LEU A 54 8.237 -26.220 -15.249 1.00 0.00 O ATOM 805 CB LEU A 54 8.340 -23.201 -14.528 1.00 0.00 C ATOM 806 CG LEU A 54 6.890 -22.736 -14.796 1.00 0.00 C ATOM 807 CD1 LEU A 54 6.128 -22.385 -13.509 1.00 0.00 C ATOM 808 CD2 LEU A 54 6.910 -21.509 -15.713 1.00 0.00 C ATOM 0 H LEU A 54 10.111 -25.541 -14.167 1.00 0.00 H new ATOM 0 HA LEU A 54 7.960 -24.177 -12.699 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.891 -22.390 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.830 -23.403 -15.480 1.00 0.00 H new ATOM 0 HG LEU A 54 6.370 -23.570 -15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.117 -22.065 -13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.081 -23.262 -12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.645 -21.578 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.888 -21.180 -15.903 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.467 -20.705 -15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.389 -21.768 -16.657 1.00 0.00 H new ATOM 820 N THR A 55 6.582 -26.037 -13.732 1.00 0.00 N ATOM 821 CA THR A 55 5.803 -27.213 -14.100 1.00 0.00 C ATOM 822 C THR A 55 4.375 -26.938 -13.617 1.00 0.00 C ATOM 823 O THR A 55 4.148 -25.965 -12.892 1.00 0.00 O ATOM 824 CB THR A 55 6.390 -28.495 -13.449 1.00 0.00 C ATOM 825 OG1 THR A 55 7.312 -28.226 -12.402 1.00 0.00 O ATOM 826 CG2 THR A 55 7.109 -29.373 -14.478 1.00 0.00 C ATOM 0 H THR A 55 6.147 -25.507 -12.977 1.00 0.00 H new ATOM 0 HA THR A 55 5.824 -27.388 -15.176 1.00 0.00 H new ATOM 0 HB THR A 55 5.524 -29.012 -13.035 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.171 -28.862 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.506 -30.260 -13.985 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.406 -29.674 -15.255 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.927 -28.811 -14.928 1.00 0.00 H new ATOM 834 N ASP A 56 3.404 -27.787 -13.963 1.00 0.00 N ATOM 835 CA ASP A 56 2.000 -27.599 -13.572 1.00 0.00 C ATOM 836 C ASP A 56 1.719 -27.961 -12.103 1.00 0.00 C ATOM 837 O ASP A 56 0.613 -28.346 -11.730 1.00 0.00 O ATOM 838 CB ASP A 56 1.073 -28.325 -14.557 1.00 0.00 C ATOM 839 CG ASP A 56 -0.346 -27.736 -14.514 1.00 0.00 C ATOM 840 OD1 ASP A 56 -0.467 -26.496 -14.650 1.00 0.00 O ATOM 841 OD2 ASP A 56 -1.332 -28.503 -14.432 1.00 0.00 O ATOM 0 H ASP A 56 3.566 -28.625 -14.522 1.00 0.00 H new ATOM 0 HA ASP A 56 1.784 -26.532 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.474 -28.243 -15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.037 -29.387 -14.313 1.00 0.00 H new ATOM 846 N LYS A 57 2.748 -27.856 -11.264 1.00 0.00 N ATOM 847 CA LYS A 57 2.783 -28.186 -9.851 1.00 0.00 C ATOM 848 C LYS A 57 3.525 -27.085 -9.114 1.00 0.00 C ATOM 849 O LYS A 57 4.319 -26.347 -9.701 1.00 0.00 O ATOM 850 CB LYS A 57 3.551 -29.499 -9.642 1.00 0.00 C ATOM 851 CG LYS A 57 2.761 -30.698 -10.159 1.00 0.00 C ATOM 852 CD LYS A 57 3.616 -31.968 -10.097 1.00 0.00 C ATOM 853 CE LYS A 57 2.831 -33.174 -10.631 1.00 0.00 C ATOM 854 NZ LYS A 57 3.635 -34.423 -10.604 1.00 0.00 N ATOM 0 H LYS A 57 3.651 -27.509 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 57 1.764 -28.289 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.511 -29.446 -10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.764 -29.632 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.858 -30.831 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.442 -30.516 -11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.525 -31.830 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.925 -32.155 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.929 -33.311 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.510 -32.973 -11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.065 -35.211 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.483 -34.303 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.920 -34.631 -9.626 1.00 0.00 H new ATOM 868 N ALA A 58 3.314 -27.055 -7.808 1.00 0.00 N ATOM 869 CA ALA A 58 4.071 -26.239 -6.860 1.00 0.00 C ATOM 870 C ALA A 58 4.128 -26.957 -5.519 1.00 0.00 C ATOM 871 O ALA A 58 3.465 -27.977 -5.335 1.00 0.00 O ATOM 872 CB ALA A 58 3.422 -24.854 -6.723 1.00 0.00 C ATOM 0 H ALA A 58 2.589 -27.615 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 58 5.089 -26.095 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.993 -24.253 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.413 -24.359 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.399 -24.965 -6.363 1.00 0.00 H new ATOM 878 N ILE A 59 4.895 -26.443 -4.561 1.00 0.00 N ATOM 879 CA ILE A 59 4.931 -26.972 -3.205 1.00 0.00 C ATOM 880 C ILE A 59 5.001 -25.776 -2.247 1.00 0.00 C ATOM 881 O ILE A 59 5.528 -24.725 -2.620 1.00 0.00 O ATOM 882 CB ILE A 59 6.056 -28.038 -3.035 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.406 -27.514 -2.511 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.297 -28.913 -4.284 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.228 -28.649 -1.884 1.00 0.00 C ATOM 0 H ILE A 59 5.511 -25.644 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 59 4.027 -27.531 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 59 5.632 -28.661 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.967 -27.062 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.235 -26.732 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.095 -29.627 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.383 -29.452 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.584 -28.279 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.177 -28.254 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.674 -29.083 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.418 -29.418 -2.633 1.00 0.00 H new ATOM 897 N VAL A 60 4.463 -25.894 -1.033 1.00 0.00 N ATOM 898 CA VAL A 60 4.566 -24.820 -0.045 1.00 0.00 C ATOM 899 C VAL A 60 5.929 -24.982 0.628 1.00 0.00 C ATOM 900 O VAL A 60 6.281 -26.082 1.053 1.00 0.00 O ATOM 901 CB VAL A 60 3.397 -24.863 0.964 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.445 -23.654 1.913 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.021 -24.846 0.276 1.00 0.00 C ATOM 0 H VAL A 60 3.954 -26.717 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 60 4.493 -23.840 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 60 3.518 -25.798 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.611 -23.708 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.384 -23.662 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.373 -22.734 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.236 -24.878 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.920 -23.935 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.930 -25.713 -0.378 1.00 0.00 H new ATOM 913 N LYS A 61 6.689 -23.897 0.755 1.00 0.00 N ATOM 914 CA LYS A 61 8.049 -23.876 1.294 1.00 0.00 C ATOM 915 C LYS A 61 8.209 -22.682 2.225 1.00 0.00 C ATOM 916 O LYS A 61 7.395 -21.757 2.210 1.00 0.00 O ATOM 917 CB LYS A 61 9.055 -23.830 0.124 1.00 0.00 C ATOM 918 CG LYS A 61 9.483 -25.255 -0.253 1.00 0.00 C ATOM 919 CD LYS A 61 10.111 -25.404 -1.642 1.00 0.00 C ATOM 920 CE LYS A 61 11.316 -24.487 -1.881 1.00 0.00 C ATOM 921 NZ LYS A 61 12.066 -24.919 -3.083 1.00 0.00 N ATOM 0 H LYS A 61 6.363 -22.972 0.475 1.00 0.00 H new ATOM 0 HA LYS A 61 8.244 -24.778 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.603 -23.337 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.928 -23.241 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.196 -25.611 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.611 -25.906 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.422 -26.440 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.353 -25.195 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.978 -23.458 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.972 -24.504 -1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.738 -24.175 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.587 -25.794 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.401 -25.092 -3.864 1.00 0.00 H new ATOM 935 N LYS A 62 9.273 -22.700 3.025 1.00 0.00 N ATOM 936 CA LYS A 62 9.643 -21.639 3.952 1.00 0.00 C ATOM 937 C LYS A 62 11.082 -21.249 3.629 1.00 0.00 C ATOM 938 O LYS A 62 11.894 -22.121 3.314 1.00 0.00 O ATOM 939 CB LYS A 62 9.483 -22.161 5.391 1.00 0.00 C ATOM 940 CG LYS A 62 9.859 -21.141 6.477 1.00 0.00 C ATOM 941 CD LYS A 62 9.600 -21.742 7.863 1.00 0.00 C ATOM 942 CE LYS A 62 10.005 -20.763 8.973 1.00 0.00 C ATOM 943 NZ LYS A 62 9.654 -21.293 10.313 1.00 0.00 N ATOM 0 H LYS A 62 9.924 -23.485 3.044 1.00 0.00 H new ATOM 0 HA LYS A 62 9.008 -20.758 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.448 -22.469 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.101 -23.050 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.909 -20.863 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.275 -20.229 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.544 -21.993 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.160 -22.671 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.078 -20.577 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.507 -19.806 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.000 -20.641 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.621 -21.384 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.094 -22.226 10.444 1.00 0.00 H new ATOM 957 N GLU A 63 11.401 -19.960 3.690 1.00 0.00 N ATOM 958 CA GLU A 63 12.691 -19.403 3.300 1.00 0.00 C ATOM 959 C GLU A 63 12.947 -18.166 4.157 1.00 0.00 C ATOM 960 O GLU A 63 12.005 -17.559 4.666 1.00 0.00 O ATOM 961 CB GLU A 63 12.666 -18.977 1.818 1.00 0.00 C ATOM 962 CG GLU A 63 12.581 -20.122 0.794 1.00 0.00 C ATOM 963 CD GLU A 63 13.771 -21.105 0.816 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.846 -20.799 1.384 1.00 0.00 O ATOM 965 OE2 GLU A 63 13.650 -22.196 0.212 1.00 0.00 O ATOM 0 H GLU A 63 10.747 -19.252 4.023 1.00 0.00 H new ATOM 0 HA GLU A 63 13.470 -20.152 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.815 -18.314 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.565 -18.396 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.663 -20.682 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.503 -19.692 -0.204 1.00 0.00 H new ATOM 972 N LEU A 64 14.210 -17.777 4.331 1.00 0.00 N ATOM 973 CA LEU A 64 14.537 -16.479 4.916 1.00 0.00 C ATOM 974 C LEU A 64 14.134 -15.418 3.884 1.00 0.00 C ATOM 975 O LEU A 64 14.396 -15.610 2.694 1.00 0.00 O ATOM 976 CB LEU A 64 16.037 -16.436 5.258 1.00 0.00 C ATOM 977 CG LEU A 64 16.459 -15.222 6.109 1.00 0.00 C ATOM 978 CD1 LEU A 64 15.816 -15.220 7.502 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.980 -15.227 6.307 1.00 0.00 C ATOM 0 H LEU A 64 15.021 -18.341 4.076 1.00 0.00 H new ATOM 0 HA LEU A 64 14.003 -16.294 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.302 -17.349 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.609 -16.431 4.330 1.00 0.00 H new ATOM 0 HG LEU A 64 16.125 -14.338 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.150 -14.342 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.731 -15.195 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.110 -16.121 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.271 -14.366 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.278 -16.144 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.473 -15.174 5.336 1.00 0.00 H new ATOM 991 N LEU A 65 13.510 -14.311 4.309 1.00 0.00 N ATOM 992 CA LEU A 65 12.870 -13.348 3.401 1.00 0.00 C ATOM 993 C LEU A 65 13.786 -12.867 2.277 1.00 0.00 C ATOM 994 O LEU A 65 13.310 -12.710 1.153 1.00 0.00 O ATOM 995 CB LEU A 65 12.267 -12.177 4.203 1.00 0.00 C ATOM 996 CG LEU A 65 11.566 -11.112 3.324 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.373 -10.489 4.062 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.513 -9.954 2.974 1.00 0.00 C ATOM 0 H LEU A 65 13.434 -14.057 5.294 1.00 0.00 H new ATOM 0 HA LEU A 65 12.061 -13.875 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.548 -12.573 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.059 -11.696 4.777 1.00 0.00 H new ATOM 0 HG LEU A 65 11.245 -11.631 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.898 -9.744 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.652 -11.268 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.721 -10.012 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.986 -9.227 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.854 -9.473 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.373 -10.340 2.426 1.00 0.00 H new ATOM 1010 N TYR A 66 15.079 -12.661 2.553 1.00 0.00 N ATOM 1011 CA TYR A 66 16.037 -12.154 1.571 1.00 0.00 C ATOM 1012 C TYR A 66 16.041 -12.989 0.281 1.00 0.00 C ATOM 1013 O TYR A 66 16.172 -12.428 -0.808 1.00 0.00 O ATOM 1014 CB TYR A 66 17.436 -12.036 2.196 1.00 0.00 C ATOM 1015 CG TYR A 66 18.376 -13.174 1.860 1.00 0.00 C ATOM 1016 CD1 TYR A 66 18.323 -14.373 2.588 1.00 0.00 C ATOM 1017 CD2 TYR A 66 19.236 -13.056 0.755 1.00 0.00 C ATOM 1018 CE1 TYR A 66 19.151 -15.453 2.236 1.00 0.00 C ATOM 1019 CE2 TYR A 66 20.070 -14.128 0.393 1.00 0.00 C ATOM 1020 CZ TYR A 66 20.034 -15.333 1.135 1.00 0.00 C ATOM 1021 OH TYR A 66 20.844 -16.368 0.774 1.00 0.00 O ATOM 0 H TYR A 66 15.489 -12.843 3.469 1.00 0.00 H new ATOM 0 HA TYR A 66 15.720 -11.153 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.888 -11.100 1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.331 -11.977 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 66 17.643 -14.466 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.256 -12.140 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 66 19.114 -16.371 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.738 -14.032 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 66 21.381 -16.108 -0.003 1.00 0.00 H new ATOM 1031 N ASP A 67 15.865 -14.310 0.390 1.00 0.00 N ATOM 1032 CA ASP A 67 15.906 -15.210 -0.762 1.00 0.00 C ATOM 1033 C ASP A 67 14.756 -14.926 -1.731 1.00 0.00 C ATOM 1034 O ASP A 67 14.934 -15.004 -2.947 1.00 0.00 O ATOM 1035 CB ASP A 67 15.839 -16.668 -0.301 1.00 0.00 C ATOM 1036 CG ASP A 67 15.870 -17.621 -1.507 1.00 0.00 C ATOM 1037 OD1 ASP A 67 16.955 -17.807 -2.103 1.00 0.00 O ATOM 1038 OD2 ASP A 67 14.819 -18.206 -1.852 1.00 0.00 O ATOM 0 H ASP A 67 15.691 -14.782 1.277 1.00 0.00 H new ATOM 0 HA ASP A 67 16.847 -15.037 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.677 -16.884 0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.928 -16.831 0.275 1.00 0.00 H new ATOM 1043 N VAL A 68 13.591 -14.551 -1.198 1.00 0.00 N ATOM 1044 CA VAL A 68 12.388 -14.283 -1.979 1.00 0.00 C ATOM 1045 C VAL A 68 12.408 -12.820 -2.442 1.00 0.00 C ATOM 1046 O VAL A 68 12.130 -12.530 -3.609 1.00 0.00 O ATOM 1047 CB VAL A 68 11.135 -14.634 -1.139 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.887 -14.681 -2.032 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.271 -16.013 -0.462 1.00 0.00 C ATOM 0 H VAL A 68 13.458 -14.424 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 68 12.355 -14.908 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 68 11.041 -13.859 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.015 -14.929 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.738 -13.708 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.020 -15.439 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.373 -16.224 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.399 -16.781 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.137 -16.010 0.199 1.00 0.00 H new ATOM 1059 N ALA A 69 12.815 -11.899 -1.562 1.00 0.00 N ATOM 1060 CA ALA A 69 12.965 -10.482 -1.865 1.00 0.00 C ATOM 1061 C ALA A 69 14.019 -10.216 -2.944 1.00 0.00 C ATOM 1062 O ALA A 69 13.972 -9.171 -3.594 1.00 0.00 O ATOM 1063 CB ALA A 69 13.339 -9.741 -0.582 1.00 0.00 C ATOM 0 H ALA A 69 13.054 -12.130 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 69 12.014 -10.122 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.454 -8.678 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.553 -9.879 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.277 -10.137 -0.194 1.00 0.00 H new ATOM 1069 N GLY A 70 14.956 -11.141 -3.160 1.00 0.00 N ATOM 1070 CA GLY A 70 15.956 -11.059 -4.216 1.00 0.00 C ATOM 1071 C GLY A 70 15.360 -11.022 -5.629 1.00 0.00 C ATOM 1072 O GLY A 70 16.102 -10.749 -6.574 1.00 0.00 O ATOM 0 H GLY A 70 15.039 -11.984 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.561 -10.165 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.626 -11.915 -4.136 1.00 0.00 H new ATOM 1076 N SER A 71 14.056 -11.291 -5.791 1.00 0.00 N ATOM 1077 CA SER A 71 13.383 -11.278 -7.084 1.00 0.00 C ATOM 1078 C SER A 71 13.551 -9.929 -7.801 1.00 0.00 C ATOM 1079 O SER A 71 14.059 -9.895 -8.924 1.00 0.00 O ATOM 1080 CB SER A 71 11.901 -11.624 -6.911 1.00 0.00 C ATOM 1081 OG SER A 71 11.702 -12.865 -6.243 1.00 0.00 O ATOM 0 H SER A 71 13.438 -11.526 -5.014 1.00 0.00 H new ATOM 0 HA SER A 71 13.850 -12.036 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.410 -10.830 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.424 -11.662 -7.890 1.00 0.00 H new ATOM 0 HG SER A 71 11.843 -12.745 -5.281 1.00 0.00 H new ATOM 1087 N ASP A 72 13.167 -8.829 -7.145 1.00 0.00 N ATOM 1088 CA ASP A 72 13.390 -7.454 -7.595 1.00 0.00 C ATOM 1089 C ASP A 72 13.122 -6.473 -6.459 1.00 0.00 C ATOM 1090 O ASP A 72 14.026 -5.779 -5.992 1.00 0.00 O ATOM 1091 CB ASP A 72 12.478 -7.119 -8.784 1.00 0.00 C ATOM 1092 CG ASP A 72 12.666 -5.664 -9.247 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.817 -5.252 -9.514 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.659 -4.939 -9.389 1.00 0.00 O ATOM 0 H ASP A 72 12.674 -8.875 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 72 14.430 -7.366 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.693 -7.796 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.437 -7.281 -8.503 1.00 0.00 H new ATOM 1099 N LYS A 73 11.890 -6.471 -5.956 1.00 0.00 N ATOM 1100 CA LYS A 73 11.447 -5.678 -4.810 1.00 0.00 C ATOM 1101 C LYS A 73 10.184 -6.308 -4.237 1.00 0.00 C ATOM 1102 O LYS A 73 9.661 -7.266 -4.809 1.00 0.00 O ATOM 1103 CB LYS A 73 11.254 -4.198 -5.206 1.00 0.00 C ATOM 1104 CG LYS A 73 10.083 -3.931 -6.165 1.00 0.00 C ATOM 1105 CD LYS A 73 9.955 -2.436 -6.481 1.00 0.00 C ATOM 1106 CE LYS A 73 8.798 -2.203 -7.464 1.00 0.00 C ATOM 1107 NZ LYS A 73 8.619 -0.766 -7.792 1.00 0.00 N ATOM 0 H LYS A 73 11.143 -7.043 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 73 12.210 -5.681 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.103 -3.611 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.173 -3.838 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.232 -4.489 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.156 -4.292 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.781 -1.876 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.887 -2.065 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.985 -2.762 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.875 -2.593 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.828 -0.658 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.415 -0.234 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.489 -0.398 -8.226 1.00 0.00 H new ATOM 1121 N TYR A 74 9.699 -5.803 -3.110 1.00 0.00 N ATOM 1122 CA TYR A 74 8.589 -6.390 -2.378 1.00 0.00 C ATOM 1123 C TYR A 74 8.029 -5.349 -1.411 1.00 0.00 C ATOM 1124 O TYR A 74 8.737 -4.400 -1.057 1.00 0.00 O ATOM 1125 CB TYR A 74 9.090 -7.615 -1.595 1.00 0.00 C ATOM 1126 CG TYR A 74 10.076 -7.293 -0.481 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.411 -6.948 -0.776 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.636 -7.277 0.857 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.287 -6.556 0.252 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.513 -6.912 1.891 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.845 -6.540 1.592 1.00 0.00 C ATOM 1132 OH TYR A 74 12.716 -6.185 2.579 1.00 0.00 O ATOM 0 H TYR A 74 10.073 -4.960 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 74 7.807 -6.703 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.232 -8.131 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.562 -8.307 -2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.763 -6.985 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.617 -7.547 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.300 -6.267 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.171 -6.915 2.915 1.00 0.00 H new ATOM 0 HH TYR A 74 12.261 -6.222 3.446 1.00 0.00 H new ATOM 1142 N GLN A 75 6.791 -5.543 -0.948 1.00 0.00 N ATOM 1143 CA GLN A 75 6.209 -4.755 0.134 1.00 0.00 C ATOM 1144 C GLN A 75 5.114 -5.551 0.853 1.00 0.00 C ATOM 1145 O GLN A 75 4.612 -6.545 0.327 1.00 0.00 O ATOM 1146 CB GLN A 75 5.714 -3.370 -0.350 1.00 0.00 C ATOM 1147 CG GLN A 75 4.905 -3.334 -1.661 1.00 0.00 C ATOM 1148 CD GLN A 75 5.757 -3.326 -2.942 1.00 0.00 C ATOM 1149 OE1 GLN A 75 6.861 -2.793 -3.001 1.00 0.00 O ATOM 1150 NE2 GLN A 75 5.255 -3.897 -4.020 1.00 0.00 N ATOM 0 H GLN A 75 6.163 -6.257 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 75 6.997 -4.551 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.100 -2.935 0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.583 -2.723 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.242 -4.199 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.271 -2.447 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.338 -4.343 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.784 -3.893 -4.892 1.00 0.00 H new ATOM 1159 N VAL A 76 4.749 -5.115 2.062 1.00 0.00 N ATOM 1160 CA VAL A 76 3.587 -5.626 2.777 1.00 0.00 C ATOM 1161 C VAL A 76 2.349 -5.177 1.996 1.00 0.00 C ATOM 1162 O VAL A 76 2.279 -4.030 1.543 1.00 0.00 O ATOM 1163 CB VAL A 76 3.573 -5.092 4.230 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.336 -5.568 5.008 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.824 -5.517 5.018 1.00 0.00 C ATOM 0 H VAL A 76 5.258 -4.393 2.571 1.00 0.00 H new ATOM 0 HA VAL A 76 3.609 -6.714 2.845 1.00 0.00 H new ATOM 0 HB VAL A 76 3.553 -4.006 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.368 -5.169 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.434 -5.216 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.327 -6.657 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.769 -5.119 6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.876 -6.605 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.715 -5.129 4.524 1.00 0.00 H new ATOM 1175 N ASN A 77 1.362 -6.063 1.859 1.00 0.00 N ATOM 1176 CA ASN A 77 0.065 -5.739 1.267 1.00 0.00 C ATOM 1177 C ASN A 77 -1.007 -6.661 1.846 1.00 0.00 C ATOM 1178 O ASN A 77 -1.437 -7.612 1.193 1.00 0.00 O ATOM 1179 CB ASN A 77 0.113 -5.805 -0.271 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.203 -5.352 -0.909 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -2.125 -4.875 -0.250 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.308 -5.454 -2.221 1.00 0.00 N ATOM 0 H ASN A 77 1.442 -7.035 2.159 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.192 -4.711 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.927 -5.177 -0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.334 -6.826 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.156 -5.137 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.541 -5.850 -2.765 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.399 -6.426 3.104 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.512 -7.141 3.732 1.00 0.00 C ATOM 1191 C ASN A 78 -3.809 -6.715 3.044 1.00 0.00 C ATOM 1192 O ASN A 78 -4.406 -5.697 3.410 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.606 -6.868 5.242 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.476 -7.480 6.053 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.083 -8.617 5.819 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.951 -6.759 7.026 1.00 0.00 N ATOM 0 H ASN A 78 -0.955 -5.738 3.711 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.343 -8.211 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.615 -5.790 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.556 -7.254 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.203 -7.146 7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.294 -5.815 7.203 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.231 -7.452 2.016 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.410 -7.081 1.233 1.00 0.00 C ATOM 1205 C LYS A 79 -6.648 -7.130 2.127 1.00 0.00 C ATOM 1206 O LYS A 79 -6.862 -8.134 2.812 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.566 -7.987 -0.001 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.438 -7.739 -1.022 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.620 -8.471 -2.360 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.890 -8.019 -3.101 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.903 -8.462 -4.515 1.00 0.00 N ATOM 0 H LYS A 79 -3.774 -8.310 1.706 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.287 -6.063 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.556 -9.032 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.532 -7.803 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.368 -6.668 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.490 -8.046 -0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.750 -8.292 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.669 -9.545 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.767 -8.416 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.963 -6.932 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.871 -8.396 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.272 -7.854 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.576 -9.447 -4.573 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.472 -6.075 2.084 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.747 -5.952 2.797 1.00 0.00 C ATOM 1227 C HIS A 80 -8.648 -6.305 4.276 1.00 0.00 C ATOM 1228 O HIS A 80 -9.621 -6.747 4.885 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.855 -6.693 2.046 1.00 0.00 C ATOM 1230 CG HIS A 80 -10.149 -6.123 0.682 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.973 -5.021 0.426 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.638 -6.583 -0.496 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.932 -4.845 -0.907 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -10.143 -5.768 -1.484 1.00 0.00 N ATOM 0 H HIS A 80 -7.257 -5.248 1.526 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.024 -4.898 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.572 -7.740 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.766 -6.669 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.969 -7.421 -0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.460 -4.069 -1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.951 -5.850 -2.482 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.512 -5.980 4.895 1.00 0.00 N ATOM 1243 CA ASP A 81 -7.322 -6.039 6.347 1.00 0.00 C ATOM 1244 C ASP A 81 -8.314 -5.148 7.114 1.00 0.00 C ATOM 1245 O ASP A 81 -8.394 -5.204 8.340 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.896 -5.589 6.666 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.475 -6.007 8.076 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.351 -7.233 8.298 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -5.194 -5.132 8.926 1.00 0.00 O ATOM 0 H ASP A 81 -6.683 -5.663 4.393 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.500 -7.066 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.207 -6.018 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.826 -4.505 6.571 1.00 0.00 H new ATOM 1254 N ASP A 82 -9.069 -4.309 6.392 1.00 0.00 N ATOM 1255 CA ASP A 82 -10.082 -3.418 6.952 1.00 0.00 C ATOM 1256 C ASP A 82 -11.333 -4.205 7.347 1.00 0.00 C ATOM 1257 O ASP A 82 -12.041 -3.812 8.276 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.451 -2.346 5.920 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.553 -1.411 6.448 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.271 -0.580 7.340 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.696 -1.474 5.943 1.00 0.00 O ATOM 0 H ASP A 82 -8.987 -4.233 5.378 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.674 -2.943 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.566 -1.761 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.788 -2.825 5.001 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.586 -5.331 6.666 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.808 -6.126 6.846 1.00 0.00 C ATOM 1268 C LYS A 83 -12.532 -7.604 7.118 1.00 0.00 C ATOM 1269 O LYS A 83 -13.380 -8.287 7.694 1.00 0.00 O ATOM 1270 CB LYS A 83 -13.703 -5.918 5.619 1.00 0.00 C ATOM 1271 CG LYS A 83 -13.199 -6.629 4.354 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.950 -6.242 3.072 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.680 -4.783 2.667 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.277 -4.448 1.350 1.00 0.00 N ATOM 0 H LYS A 83 -10.946 -5.717 5.972 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.323 -5.777 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.707 -6.275 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.783 -4.850 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.140 -6.406 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.282 -7.706 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.649 -6.905 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.020 -6.385 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.085 -4.116 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.604 -4.611 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.070 -3.456 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.873 -5.067 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.307 -4.587 1.390 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.353 -8.080 6.732 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.883 -9.445 6.936 1.00 0.00 C ATOM 1290 C TYR A 84 -9.778 -9.467 8.004 1.00 0.00 C ATOM 1291 O TYR A 84 -9.691 -8.560 8.837 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.475 -10.052 5.579 1.00 0.00 C ATOM 1293 CG TYR A 84 -11.639 -10.374 4.662 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -12.556 -11.376 5.032 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -11.782 -9.715 3.429 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -13.631 -11.699 4.185 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -12.852 -10.033 2.572 1.00 0.00 C ATOM 1298 CZ TYR A 84 -13.785 -11.026 2.951 1.00 0.00 C ATOM 1299 OH TYR A 84 -14.830 -11.349 2.136 1.00 0.00 O ATOM 0 H TYR A 84 -10.669 -7.499 6.247 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.678 -10.080 7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.808 -9.356 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.907 -10.965 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.433 -11.898 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.067 -8.960 3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -14.339 -12.461 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.960 -9.520 1.628 1.00 0.00 H new ATOM 0 HH TYR A 84 -14.797 -10.797 1.327 1.00 0.00 H new ATOM 1309 N SER A 85 -8.979 -10.536 8.009 1.00 0.00 N ATOM 1310 CA SER A 85 -8.012 -10.887 9.048 1.00 0.00 C ATOM 1311 C SER A 85 -8.672 -11.078 10.429 1.00 0.00 C ATOM 1312 O SER A 85 -8.312 -10.390 11.387 1.00 0.00 O ATOM 1313 CB SER A 85 -6.846 -9.893 9.099 1.00 0.00 C ATOM 1314 OG SER A 85 -6.332 -9.578 7.819 1.00 0.00 O ATOM 0 H SER A 85 -8.991 -11.215 7.248 1.00 0.00 H new ATOM 0 HA SER A 85 -7.596 -11.856 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.178 -8.977 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.047 -10.309 9.713 1.00 0.00 H new ATOM 0 HG SER A 85 -5.918 -8.690 7.842 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.625 -12.021 10.576 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.174 -12.370 11.885 1.00 0.00 C ATOM 1322 C PRO A 86 -9.161 -13.055 12.811 1.00 0.00 C ATOM 1323 O PRO A 86 -9.419 -13.217 14.005 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.352 -13.299 11.592 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.989 -13.957 10.265 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.196 -12.872 9.540 1.00 0.00 C ATOM 0 HA PRO A 86 -10.468 -11.467 12.420 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.481 -14.039 12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.288 -12.745 11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.395 -14.859 10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.877 -14.249 9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.413 -13.311 8.922 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.841 -12.297 8.876 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.032 -13.491 12.258 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.072 -14.352 12.931 1.00 0.00 C ATOM 1336 C LEU A 87 -5.967 -13.519 13.590 1.00 0.00 C ATOM 1337 O LEU A 87 -5.391 -12.660 12.913 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.451 -15.305 11.901 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.454 -16.281 11.260 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.709 -17.174 10.266 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.165 -17.174 12.287 1.00 0.00 C ATOM 0 H LEU A 87 -7.756 -13.248 11.307 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.586 -14.919 13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.981 -14.715 11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.660 -15.879 12.384 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.218 -15.680 10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.410 -17.870 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.251 -16.556 9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.934 -17.733 10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.859 -17.839 11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.427 -17.767 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.715 -16.551 12.992 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.648 -13.757 14.876 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.457 -13.210 15.516 1.00 0.00 C ATOM 1355 C PRO A 88 -3.188 -13.587 14.745 1.00 0.00 C ATOM 1356 O PRO A 88 -3.146 -14.620 14.070 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.424 -13.808 16.928 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.881 -14.161 17.210 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.422 -14.534 15.832 1.00 0.00 C ATOM 0 HA PRO A 88 -4.493 -12.121 15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.783 -14.689 16.974 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.038 -13.094 17.655 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.966 -14.989 17.914 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.423 -13.319 17.641 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.313 -15.602 15.646 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.484 -14.303 15.754 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.128 -12.793 14.924 1.00 0.00 N ATOM 1368 CA CYS A 89 -0.829 -13.005 14.292 1.00 0.00 C ATOM 1369 C CYS A 89 -0.346 -14.443 14.485 1.00 0.00 C ATOM 1370 O CYS A 89 0.016 -15.108 13.518 1.00 0.00 O ATOM 1371 CB CYS A 89 0.185 -12.003 14.865 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.401 -10.296 14.632 1.00 0.00 S ATOM 0 H CYS A 89 -2.153 -11.969 15.525 1.00 0.00 H new ATOM 0 HA CYS A 89 -0.928 -12.840 13.219 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.338 -12.199 15.926 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.150 -12.132 14.374 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.518 -10.129 15.276 1.00 0.00 H new ATOM 1378 N SER A 90 -0.402 -14.941 15.721 1.00 0.00 N ATOM 1379 CA SER A 90 0.045 -16.276 16.089 1.00 0.00 C ATOM 1380 C SER A 90 -0.671 -17.359 15.287 1.00 0.00 C ATOM 1381 O SER A 90 -0.027 -18.259 14.755 1.00 0.00 O ATOM 1382 CB SER A 90 -0.169 -16.456 17.599 1.00 0.00 C ATOM 1383 OG SER A 90 -1.431 -15.930 17.995 1.00 0.00 O ATOM 0 H SER A 90 -0.770 -14.410 16.510 1.00 0.00 H new ATOM 0 HA SER A 90 1.104 -16.381 15.852 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.114 -17.514 17.855 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.628 -15.953 18.147 1.00 0.00 H new ATOM 0 HG SER A 90 -1.550 -16.056 18.960 1.00 0.00 H new ATOM 1389 N LYS A 91 -1.992 -17.262 15.149 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.795 -18.236 14.417 1.00 0.00 C ATOM 1391 C LYS A 91 -2.415 -18.269 12.936 1.00 0.00 C ATOM 1392 O LYS A 91 -2.442 -19.343 12.337 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.296 -17.961 14.593 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.790 -17.957 16.052 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.495 -19.257 16.817 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.140 -19.197 18.209 1.00 0.00 C ATOM 1397 NZ LYS A 91 -4.906 -20.434 18.994 1.00 0.00 N ATOM 0 H LYS A 91 -2.539 -16.498 15.546 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.582 -19.219 14.837 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.528 -16.995 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.856 -18.714 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.325 -17.124 16.580 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.865 -17.779 16.060 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.882 -20.112 16.263 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.418 -19.399 16.910 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.741 -18.342 18.755 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.213 -19.035 18.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.360 -20.345 19.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.310 -21.248 18.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.884 -20.577 19.120 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.021 -17.139 12.345 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.561 -17.123 10.959 1.00 0.00 C ATOM 1413 C ILE A 92 -0.253 -17.926 10.865 1.00 0.00 C ATOM 1414 O ILE A 92 -0.112 -18.753 9.963 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.412 -15.674 10.445 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.736 -14.878 10.548 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.939 -15.695 8.980 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.509 -13.364 10.519 1.00 0.00 C ATOM 0 H ILE A 92 -2.012 -16.228 12.804 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.299 -17.596 10.311 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.676 -15.174 11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.392 -15.160 9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.249 -15.148 11.471 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.834 -14.673 8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.023 -16.204 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.671 -16.223 8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.468 -12.851 10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.876 -13.075 11.358 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.021 -13.087 9.584 1.00 0.00 H new ATOM 1430 N ILE A 93 0.684 -17.738 11.802 1.00 0.00 N ATOM 1431 CA ILE A 93 1.924 -18.512 11.834 1.00 0.00 C ATOM 1432 C ILE A 93 1.603 -19.989 12.035 1.00 0.00 C ATOM 1433 O ILE A 93 2.143 -20.830 11.325 1.00 0.00 O ATOM 1434 CB ILE A 93 2.880 -18.005 12.938 1.00 0.00 C ATOM 1435 CG1 ILE A 93 3.125 -16.489 12.880 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.225 -18.741 12.867 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.490 -15.966 11.489 1.00 0.00 C ATOM 0 H ILE A 93 0.603 -17.051 12.551 1.00 0.00 H new ATOM 0 HA ILE A 93 2.434 -18.383 10.879 1.00 0.00 H new ATOM 0 HB ILE A 93 2.385 -18.217 13.885 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.229 -15.974 13.226 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.927 -16.235 13.573 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.884 -18.370 13.652 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.062 -19.810 13.004 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.685 -18.566 11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.646 -14.888 11.535 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.404 -16.451 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.680 -16.186 10.794 1.00 0.00 H new ATOM 1449 N GLN A 94 0.705 -20.306 12.965 1.00 0.00 N ATOM 1450 CA GLN A 94 0.283 -21.672 13.243 1.00 0.00 C ATOM 1451 C GLN A 94 -0.215 -22.346 11.964 1.00 0.00 C ATOM 1452 O GLN A 94 0.173 -23.478 11.677 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.809 -21.680 14.328 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.270 -21.521 15.758 1.00 0.00 C ATOM 1455 CD GLN A 94 0.666 -22.661 16.174 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.784 -22.433 16.631 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.250 -23.909 16.014 1.00 0.00 N ATOM 0 H GLN A 94 0.246 -19.611 13.553 1.00 0.00 H new ATOM 0 HA GLN A 94 1.139 -22.237 13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.514 -20.874 14.125 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.365 -22.615 14.262 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.263 -20.573 15.836 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.108 -21.474 16.453 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.679 -24.092 15.634 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.859 -24.686 16.271 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.026 -21.641 11.167 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.465 -22.151 9.871 1.00 0.00 C ATOM 1468 C ARG A 95 -0.262 -22.365 8.957 1.00 0.00 C ATOM 1469 O ARG A 95 -0.103 -23.458 8.419 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.483 -21.193 9.225 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.924 -21.350 9.730 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.527 -22.691 9.278 1.00 0.00 C ATOM 1473 NE ARG A 95 -6.001 -22.667 9.253 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.763 -22.183 8.261 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.221 -21.572 7.209 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -8.083 -22.299 8.313 1.00 0.00 N ATOM 0 H ARG A 95 -1.389 -20.717 11.400 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.959 -23.111 10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.160 -20.167 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.472 -21.347 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.940 -21.289 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.535 -20.529 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.154 -22.937 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.191 -23.481 9.949 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.485 -23.053 10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.209 -21.465 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.818 -21.211 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.524 -22.758 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.658 -21.929 7.556 1.00 0.00 H new ATOM 1490 N ALA A 96 0.597 -21.360 8.785 1.00 0.00 N ATOM 1491 CA ALA A 96 1.737 -21.452 7.880 1.00 0.00 C ATOM 1492 C ALA A 96 2.634 -22.649 8.227 1.00 0.00 C ATOM 1493 O ALA A 96 3.051 -23.401 7.348 1.00 0.00 O ATOM 1494 CB ALA A 96 2.521 -20.134 7.918 1.00 0.00 C ATOM 0 H ALA A 96 0.521 -20.465 9.268 1.00 0.00 H new ATOM 0 HA ALA A 96 1.372 -21.618 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.374 -20.199 7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.872 -19.316 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.874 -19.950 8.933 1.00 0.00 H new ATOM 1500 N GLU A 97 2.888 -22.856 9.516 1.00 0.00 N ATOM 1501 CA GLU A 97 3.749 -23.908 10.037 1.00 0.00 C ATOM 1502 C GLU A 97 3.113 -25.295 9.908 1.00 0.00 C ATOM 1503 O GLU A 97 3.833 -26.291 9.829 1.00 0.00 O ATOM 1504 CB GLU A 97 4.068 -23.618 11.514 1.00 0.00 C ATOM 1505 CG GLU A 97 4.990 -22.406 11.720 1.00 0.00 C ATOM 1506 CD GLU A 97 6.447 -22.676 11.308 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.105 -23.559 11.904 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.969 -21.969 10.418 1.00 0.00 O ATOM 0 H GLU A 97 2.485 -22.274 10.250 1.00 0.00 H new ATOM 0 HA GLU A 97 4.664 -23.914 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.135 -23.449 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.536 -24.498 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.606 -21.564 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.964 -22.112 12.769 1.00 0.00 H new ATOM 1515 N GLU A 98 1.783 -25.390 9.867 1.00 0.00 N ATOM 1516 CA GLU A 98 1.060 -26.620 9.670 1.00 0.00 C ATOM 1517 C GLU A 98 1.022 -26.973 8.171 1.00 0.00 C ATOM 1518 O GLU A 98 0.838 -28.140 7.818 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.329 -26.390 10.294 1.00 0.00 C ATOM 1520 CG GLU A 98 -1.361 -27.428 9.883 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.662 -27.307 10.696 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -3.580 -26.567 10.280 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -2.790 -27.973 11.749 1.00 0.00 O ATOM 0 H GLU A 98 1.172 -24.580 9.975 1.00 0.00 H new ATOM 0 HA GLU A 98 1.531 -27.479 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.235 -26.394 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.687 -25.401 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.585 -27.315 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.943 -28.426 10.016 1.00 0.00 H new ATOM 1530 N LEU A 99 1.242 -25.989 7.290 1.00 0.00 N ATOM 1531 CA LEU A 99 0.973 -26.115 5.860 1.00 0.00 C ATOM 1532 C LEU A 99 2.225 -26.070 4.984 1.00 0.00 C ATOM 1533 O LEU A 99 2.129 -26.455 3.817 1.00 0.00 O ATOM 1534 CB LEU A 99 -0.057 -25.040 5.464 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.431 -25.242 6.150 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.337 -24.037 5.894 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -2.164 -26.506 5.679 1.00 0.00 C ATOM 0 H LEU A 99 1.615 -25.078 7.556 1.00 0.00 H new ATOM 0 HA LEU A 99 0.564 -27.109 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.333 -24.056 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.191 -25.053 4.382 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.219 -25.352 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.299 -24.194 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.869 -23.138 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.490 -23.918 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.119 -26.588 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.339 -26.446 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.555 -27.383 5.899 1.00 0.00 H new ATOM 1549 N VAL A 100 3.386 -25.652 5.496 1.00 0.00 N ATOM 1550 CA VAL A 100 4.653 -25.803 4.789 1.00 0.00 C ATOM 1551 C VAL A 100 4.930 -27.291 4.502 1.00 0.00 C ATOM 1552 O VAL A 100 4.584 -28.169 5.298 1.00 0.00 O ATOM 1553 CB VAL A 100 5.776 -25.085 5.577 1.00 0.00 C ATOM 1554 CG1 VAL A 100 5.975 -25.617 7.005 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.115 -25.133 4.830 1.00 0.00 C ATOM 0 H VAL A 100 3.470 -25.202 6.408 1.00 0.00 H new ATOM 0 HA VAL A 100 4.609 -25.321 3.812 1.00 0.00 H new ATOM 0 HB VAL A 100 5.436 -24.053 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.778 -25.063 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.053 -25.491 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.235 -26.675 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.877 -24.619 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.411 -26.171 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.009 -24.643 3.862 1.00 0.00 H new ATOM 1565 N GLY A 101 5.571 -27.571 3.364 1.00 0.00 N ATOM 1566 CA GLY A 101 6.092 -28.882 3.000 1.00 0.00 C ATOM 1567 C GLY A 101 5.082 -29.758 2.261 1.00 0.00 C ATOM 1568 O GLY A 101 5.453 -30.854 1.834 1.00 0.00 O ATOM 0 H GLY A 101 5.745 -26.864 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.974 -28.752 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.416 -29.399 3.903 1.00 0.00 H new ATOM 1572 N GLN A 102 3.832 -29.311 2.091 1.00 0.00 N ATOM 1573 CA GLN A 102 2.883 -30.016 1.237 1.00 0.00 C ATOM 1574 C GLN A 102 3.250 -29.757 -0.226 1.00 0.00 C ATOM 1575 O GLN A 102 3.786 -28.695 -0.556 1.00 0.00 O ATOM 1576 CB GLN A 102 1.435 -29.598 1.549 1.00 0.00 C ATOM 1577 CG GLN A 102 1.069 -28.197 1.040 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.326 -27.783 1.497 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.339 -28.175 0.923 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.404 -26.985 2.545 1.00 0.00 N ATOM 0 H GLN A 102 3.461 -28.470 2.532 1.00 0.00 H new ATOM 0 HA GLN A 102 2.941 -31.087 1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.754 -30.324 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.281 -29.634 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.801 -27.475 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.116 -28.181 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.447 -26.669 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.315 -26.684 2.890 1.00 0.00 H new ATOM 1589 N GLU A 103 2.881 -30.680 -1.108 1.00 0.00 N ATOM 1590 CA GLU A 103 2.960 -30.495 -2.549 1.00 0.00 C ATOM 1591 C GLU A 103 1.538 -30.243 -3.054 1.00 0.00 C ATOM 1592 O GLU A 103 0.576 -30.791 -2.506 1.00 0.00 O ATOM 1593 CB GLU A 103 3.561 -31.743 -3.219 1.00 0.00 C ATOM 1594 CG GLU A 103 4.964 -32.098 -2.699 1.00 0.00 C ATOM 1595 CD GLU A 103 5.557 -33.299 -3.457 1.00 0.00 C ATOM 1596 OE1 GLU A 103 5.349 -34.457 -3.029 1.00 0.00 O ATOM 1597 OE2 GLU A 103 6.251 -33.101 -4.480 1.00 0.00 O ATOM 0 H GLU A 103 2.513 -31.591 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 103 3.606 -29.652 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.895 -32.591 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.611 -31.580 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.623 -31.236 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.912 -32.327 -1.635 1.00 0.00 H new ATOM 1604 N VAL A 104 1.398 -29.437 -4.105 1.00 0.00 N ATOM 1605 CA VAL A 104 0.128 -29.074 -4.706 1.00 0.00 C ATOM 1606 C VAL A 104 0.216 -29.232 -6.228 1.00 0.00 C ATOM 1607 O VAL A 104 1.277 -29.095 -6.839 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.273 -27.649 -4.277 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.715 -27.598 -2.807 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.804 -26.583 -4.505 1.00 0.00 C ATOM 0 H VAL A 104 2.196 -29.007 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.658 -29.742 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.109 -27.407 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.989 -26.576 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.574 -28.253 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.104 -27.929 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.432 -25.613 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.698 -26.842 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.049 -26.534 -5.566 1.00 0.00 H new ATOM 1620 N LEU A 105 -0.926 -29.516 -6.854 1.00 0.00 N ATOM 1621 CA LEU A 105 -0.997 -29.932 -8.255 1.00 0.00 C ATOM 1622 C LEU A 105 -1.536 -28.811 -9.145 1.00 0.00 C ATOM 1623 O LEU A 105 -2.240 -29.041 -10.131 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.866 -31.187 -8.361 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.390 -32.414 -7.557 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.375 -33.571 -7.754 1.00 0.00 C ATOM 1627 CD2 LEU A 105 0.015 -32.869 -7.969 1.00 0.00 C ATOM 0 H LEU A 105 -1.837 -29.463 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 105 0.009 -30.159 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.875 -30.934 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.932 -31.470 -9.411 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.350 -32.121 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.037 -34.437 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.363 -33.271 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.426 -33.829 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.306 -33.735 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.016 -33.137 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.724 -32.059 -7.800 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.216 -27.587 -8.755 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.424 -26.381 -9.534 1.00 0.00 C ATOM 1641 C TYR A 106 -0.083 -25.670 -9.710 1.00 0.00 C ATOM 1642 O TYR A 106 0.790 -25.728 -8.843 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.502 -25.493 -8.892 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.298 -25.096 -7.435 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.313 -24.152 -7.078 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.134 -25.634 -6.436 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.166 -23.747 -5.741 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.001 -25.225 -5.096 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.017 -24.273 -4.742 1.00 0.00 C ATOM 1650 OH TYR A 106 -1.873 -23.859 -3.452 1.00 0.00 O ATOM 0 H TYR A 106 -0.786 -27.401 -7.849 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.802 -26.631 -10.525 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.584 -24.581 -9.483 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.458 -26.011 -8.971 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.667 -23.738 -7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.883 -26.366 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.401 -23.032 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.650 -25.638 -4.338 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.533 -24.313 -2.887 1.00 0.00 H new ATOM 1660 N LYS A 107 0.081 -25.018 -10.860 1.00 0.00 N ATOM 1661 CA LYS A 107 1.261 -24.284 -11.271 1.00 0.00 C ATOM 1662 C LYS A 107 1.559 -23.102 -10.350 1.00 0.00 C ATOM 1663 O LYS A 107 0.648 -22.568 -9.709 1.00 0.00 O ATOM 1664 CB LYS A 107 0.904 -23.732 -12.667 1.00 0.00 C ATOM 1665 CG LYS A 107 2.090 -23.572 -13.609 1.00 0.00 C ATOM 1666 CD LYS A 107 1.797 -22.665 -14.816 1.00 0.00 C ATOM 1667 CE LYS A 107 0.499 -22.967 -15.591 1.00 0.00 C ATOM 1668 NZ LYS A 107 0.435 -24.335 -16.168 1.00 0.00 N ATOM 0 H LYS A 107 -0.654 -24.991 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 107 2.139 -24.929 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.176 -24.397 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.419 -22.763 -12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.933 -23.162 -13.053 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.393 -24.555 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.757 -21.633 -14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.635 -22.735 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.350 -22.827 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.393 -22.240 -16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.208 -24.337 -16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.385 -24.628 -16.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.083 -24.999 -15.449 1.00 0.00 H new ATOM 1682 N LEU A 108 2.808 -22.626 -10.357 1.00 0.00 N ATOM 1683 CA LEU A 108 3.129 -21.329 -9.772 1.00 0.00 C ATOM 1684 C LEU A 108 2.406 -20.301 -10.647 1.00 0.00 C ATOM 1685 O LEU A 108 2.677 -20.240 -11.849 1.00 0.00 O ATOM 1686 CB LEU A 108 4.644 -21.008 -9.803 1.00 0.00 C ATOM 1687 CG LEU A 108 5.573 -21.675 -8.771 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.065 -21.495 -7.338 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.836 -23.152 -9.082 1.00 0.00 C ATOM 0 H LEU A 108 3.605 -23.119 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 108 2.827 -21.318 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.015 -21.268 -10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.753 -19.929 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 108 6.529 -21.157 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.751 -21.981 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.006 -20.432 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.076 -21.943 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.496 -23.572 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.892 -23.697 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.307 -23.239 -10.061 1.00 0.00 H new ATOM 1701 N THR A 109 1.527 -19.487 -10.067 1.00 0.00 N ATOM 1702 CA THR A 109 0.942 -18.330 -10.733 1.00 0.00 C ATOM 1703 C THR A 109 0.815 -17.226 -9.689 1.00 0.00 C ATOM 1704 O THR A 109 0.716 -17.504 -8.487 1.00 0.00 O ATOM 1705 CB THR A 109 -0.431 -18.643 -11.368 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.374 -19.005 -10.380 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.392 -19.761 -12.412 1.00 0.00 C ATOM 0 H THR A 109 1.198 -19.615 -9.110 1.00 0.00 H new ATOM 0 HA THR A 109 1.586 -18.023 -11.557 1.00 0.00 H new ATOM 0 HB THR A 109 -0.721 -17.721 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.180 -18.457 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.394 -19.921 -12.811 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.281 -19.479 -13.222 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.035 -20.680 -11.948 1.00 0.00 H new ATOM 1715 N SER A 110 0.773 -15.977 -10.151 1.00 0.00 N ATOM 1716 CA SER A 110 0.509 -14.820 -9.318 1.00 0.00 C ATOM 1717 C SER A 110 -0.764 -15.027 -8.484 1.00 0.00 C ATOM 1718 O SER A 110 -0.776 -14.703 -7.297 1.00 0.00 O ATOM 1719 CB SER A 110 0.400 -13.607 -10.254 1.00 0.00 C ATOM 1720 OG SER A 110 1.584 -13.482 -11.018 1.00 0.00 O ATOM 0 H SER A 110 0.925 -15.744 -11.132 1.00 0.00 H new ATOM 0 HA SER A 110 1.313 -14.660 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.459 -13.722 -10.915 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.235 -12.701 -9.672 1.00 0.00 H new ATOM 0 HG SER A 110 2.349 -13.356 -10.418 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.811 -15.590 -9.091 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.105 -15.806 -8.466 1.00 0.00 C ATOM 1728 C GLU A 111 -3.045 -16.936 -7.436 1.00 0.00 C ATOM 1729 O GLU A 111 -3.628 -16.799 -6.362 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.156 -16.144 -9.539 1.00 0.00 C ATOM 1731 CG GLU A 111 -4.487 -14.989 -10.504 1.00 0.00 C ATOM 1732 CD GLU A 111 -3.360 -14.601 -11.487 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -2.515 -15.453 -11.844 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -3.330 -13.428 -11.925 1.00 0.00 O ATOM 0 H GLU A 111 -1.775 -15.915 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.385 -14.887 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.801 -16.995 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.074 -16.459 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.371 -15.262 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.750 -14.110 -9.915 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.355 -18.046 -7.724 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.335 -19.193 -6.813 1.00 0.00 C ATOM 1743 C ASN A 112 -1.595 -18.837 -5.529 1.00 0.00 C ATOM 1744 O ASN A 112 -2.046 -19.208 -4.443 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.694 -20.432 -7.465 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.635 -21.169 -8.418 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.856 -21.138 -8.271 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.104 -21.859 -9.414 1.00 0.00 N ATOM 0 H ASN A 112 -1.807 -18.173 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.370 -19.440 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.802 -20.126 -8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.369 -21.118 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.707 -22.366 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.091 -21.884 -9.534 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.488 -18.098 -5.634 1.00 0.00 N ATOM 1756 CA CYS A 113 0.254 -17.667 -4.459 1.00 0.00 C ATOM 1757 C CYS A 113 -0.583 -16.683 -3.644 1.00 0.00 C ATOM 1758 O CYS A 113 -0.676 -16.836 -2.427 1.00 0.00 O ATOM 1759 CB CYS A 113 1.585 -17.041 -4.881 1.00 0.00 C ATOM 1760 SG CYS A 113 2.497 -18.255 -5.883 1.00 0.00 S ATOM 0 H CYS A 113 -0.091 -17.789 -6.521 1.00 0.00 H new ATOM 0 HA CYS A 113 0.469 -18.532 -3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.411 -16.130 -5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.167 -16.759 -4.003 1.00 0.00 H new ATOM 0 HG CYS A 113 2.033 -18.252 -7.097 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.214 -15.706 -4.309 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.076 -14.716 -3.667 1.00 0.00 C ATOM 1768 C GLU A 114 -3.198 -15.416 -2.896 1.00 0.00 C ATOM 1769 O GLU A 114 -3.455 -15.093 -1.735 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.649 -13.785 -4.746 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.508 -12.643 -4.183 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.167 -11.789 -5.282 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.725 -11.818 -6.455 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -5.133 -11.063 -4.963 1.00 0.00 O ATOM 0 H GLU A 114 -1.137 -15.583 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.500 -14.126 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.826 -13.360 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.251 -14.373 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.284 -13.061 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.887 -12.003 -3.557 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.842 -16.396 -3.536 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.923 -17.168 -2.952 1.00 0.00 C ATOM 1783 C HIS A 115 -4.423 -17.867 -1.694 1.00 0.00 C ATOM 1784 O HIS A 115 -5.000 -17.676 -0.625 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.466 -18.162 -3.992 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.510 -19.093 -3.425 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.888 -18.863 -3.411 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.245 -20.263 -2.775 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.418 -19.896 -2.731 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.455 -20.742 -2.331 1.00 0.00 N ATOM 0 H HIS A 115 -3.617 -16.674 -4.491 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.745 -16.513 -2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.895 -17.608 -4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.640 -18.750 -4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.277 -20.722 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.472 -20.027 -2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.597 -21.595 -1.790 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.329 -18.627 -1.792 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.840 -19.415 -0.672 1.00 0.00 C ATOM 1800 C PHE A 116 -2.512 -18.546 0.538 1.00 0.00 C ATOM 1801 O PHE A 116 -2.952 -18.859 1.643 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.618 -20.234 -1.105 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.831 -20.802 0.065 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.209 -22.019 0.663 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.249 -20.070 0.597 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.514 -22.493 1.790 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.927 -20.530 1.735 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.548 -21.747 2.331 1.00 0.00 C ATOM 0 H PHE A 116 -2.768 -18.709 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.635 -20.095 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.946 -21.053 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.961 -19.604 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.032 -22.588 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.557 -19.149 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.797 -23.433 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.738 -19.952 2.153 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.072 -22.108 3.203 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.765 -17.455 0.360 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.380 -16.645 1.515 1.00 0.00 C ATOM 1820 C VAL A 117 -2.622 -16.024 2.174 1.00 0.00 C ATOM 1821 O VAL A 117 -2.662 -15.874 3.396 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.281 -15.618 1.176 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.984 -16.307 0.646 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.718 -14.527 0.190 1.00 0.00 C ATOM 0 H VAL A 117 -1.424 -17.120 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.923 -17.302 2.255 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.067 -15.121 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.739 -15.555 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.370 -16.990 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.742 -16.866 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.114 -13.848 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.024 -14.987 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.555 -13.970 0.611 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.673 -15.734 1.395 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.928 -15.237 1.946 1.00 0.00 C ATOM 1836 C ASN A 118 -5.674 -16.323 2.718 1.00 0.00 C ATOM 1837 O ASN A 118 -6.341 -15.995 3.696 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.813 -14.599 0.864 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.392 -13.154 0.626 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.910 -12.235 1.248 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.413 -12.914 -0.227 1.00 0.00 N ATOM 0 H ASN A 118 -3.673 -15.837 0.380 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.677 -14.451 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.733 -15.166 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.858 -14.635 1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.084 -11.959 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.985 -13.683 -0.742 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.525 -17.605 2.373 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.066 -18.689 3.196 1.00 0.00 C ATOM 1850 C GLU A 119 -5.432 -18.672 4.588 1.00 0.00 C ATOM 1851 O GLU A 119 -6.114 -18.965 5.568 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.889 -20.085 2.567 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.608 -20.277 1.224 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.472 -21.705 0.657 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.380 -22.313 0.728 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.466 -22.220 0.093 1.00 0.00 O ATOM 0 H GLU A 119 -5.037 -17.916 1.533 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.138 -18.505 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.825 -20.272 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.253 -20.834 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.665 -20.043 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.207 -19.567 0.501 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.154 -18.303 4.706 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.478 -18.225 5.996 1.00 0.00 C ATOM 1865 C LEU A 120 -3.928 -16.979 6.753 1.00 0.00 C ATOM 1866 O LEU A 120 -4.228 -17.065 7.941 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.951 -18.184 5.836 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.351 -19.256 4.919 1.00 0.00 C ATOM 1869 CD1 LEU A 120 0.157 -19.031 4.824 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.610 -20.673 5.424 1.00 0.00 C ATOM 0 H LEU A 120 -3.564 -18.052 3.912 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.746 -19.122 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.670 -17.204 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.498 -18.280 6.823 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.830 -19.164 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.597 -19.787 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.352 -18.041 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.599 -19.104 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.163 -21.392 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.168 -20.793 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.684 -20.847 5.484 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.963 -15.820 6.080 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.320 -14.547 6.705 1.00 0.00 C ATOM 1884 C ARG A 121 -5.768 -14.564 7.191 1.00 0.00 C ATOM 1885 O ARG A 121 -6.055 -14.028 8.261 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.075 -13.403 5.700 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.277 -11.980 6.255 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.176 -11.574 7.240 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.473 -10.286 7.890 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.606 -9.541 8.588 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.362 -9.958 8.792 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.977 -8.367 9.082 1.00 0.00 N ATOM 0 H ARG A 121 -3.744 -15.743 5.087 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.692 -14.386 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.056 -13.486 5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.742 -13.541 4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.300 -11.271 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.245 -11.921 6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.064 -12.348 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.224 -11.505 6.713 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.424 -9.929 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.057 -10.855 8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.712 -9.381 9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.927 -8.027 8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.312 -7.804 9.613 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.680 -15.141 6.405 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.115 -15.036 6.670 1.00 0.00 C ATOM 1908 C TYR A 122 -8.674 -16.287 7.350 1.00 0.00 C ATOM 1909 O TYR A 122 -9.629 -16.182 8.117 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.899 -14.838 5.362 1.00 0.00 C ATOM 1911 CG TYR A 122 -8.689 -13.587 4.521 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.851 -12.518 4.909 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -9.410 -13.497 3.315 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.735 -11.376 4.092 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -9.310 -12.359 2.501 1.00 0.00 C ATOM 1916 CZ TYR A 122 -8.473 -11.289 2.887 1.00 0.00 C ATOM 1917 OH TYR A 122 -8.411 -10.183 2.099 1.00 0.00 O ATOM 0 H TYR A 122 -6.447 -15.688 5.576 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.234 -14.178 7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.684 -15.695 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.959 -14.885 5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -7.298 -12.576 5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.048 -14.314 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.083 -10.567 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.872 -12.301 1.581 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.710 -9.584 2.430 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.130 -17.467 7.041 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.687 -18.764 7.410 1.00 0.00 C ATOM 1929 C GLY A 123 -9.035 -19.529 6.134 1.00 0.00 C ATOM 1930 O GLY A 123 -8.709 -20.711 6.015 1.00 0.00 O ATOM 0 H GLY A 123 -7.262 -17.545 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.969 -19.328 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.577 -18.632 8.026 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.617 -18.837 5.153 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.827 -19.292 3.785 1.00 0.00 C ATOM 1936 C VAL A 124 -9.963 -18.009 2.947 1.00 0.00 C ATOM 1937 O VAL A 124 -10.601 -17.052 3.398 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.041 -20.250 3.712 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.372 -19.636 4.177 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.201 -20.836 2.303 1.00 0.00 C ATOM 0 H VAL A 124 -9.973 -17.893 5.304 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.003 -19.888 3.393 1.00 0.00 H new ATOM 0 HB VAL A 124 -10.809 -21.044 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.165 -20.379 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.283 -19.319 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.613 -18.775 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.061 -21.505 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.353 -20.028 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.303 -21.393 2.036 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.305 -17.946 1.782 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.364 -16.777 0.912 1.00 0.00 C ATOM 1952 C ALA A 125 -10.803 -16.537 0.445 1.00 0.00 C ATOM 1953 O ALA A 125 -11.496 -17.516 0.090 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.431 -16.963 -0.284 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.224 -15.365 0.387 1.00 0.00 O ATOM 0 H ALA A 125 -8.722 -18.702 1.423 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.035 -15.902 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.483 -16.084 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.408 -17.094 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.735 -17.844 -0.849 1.00 0.00 H new TER 1961 ALA A 125