USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 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 6 LYS NZ :NH3+ 149:sc= 0 (180deg=0) USER MOD Set 1.2: A 119 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.48) USER MOD Single : A 4 THR OG1 : rot 170:sc= -1.25 USER MOD Single : A 8 THR OG1 : rot 23:sc= 0.0972 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 14 GLN : amide:sc= -0.124 K(o=-0.12,f=-5.7!) USER MOD Single : A 15 GLN : amide:sc= -1.03 K(o=-1,f=-5.1) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.11 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= -0.7 (180deg=-0.789) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 0.0575 (180deg=-0.253) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-11!) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 35:sc= -1.62 USER MOD Single : A 70 THR OG1 : rot -46:sc= 1.03 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 89 SER OG : rot 180:sc= -2.23! USER MOD Single : A 95 LYS NZ :NH3+ -148:sc= -0.793 (180deg=-1.49) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -3.8! C(o=-3.8!,f=-3.6!) USER MOD Single : A 106 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.3) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.448 20.898 1.947 1.00 0.00 N ATOM 47 CA THR A 4 10.449 19.682 2.754 1.00 0.00 C ATOM 48 C THR A 4 9.351 18.732 2.286 1.00 0.00 C ATOM 49 O THR A 4 8.321 19.169 1.770 1.00 0.00 O ATOM 50 CB THR A 4 10.260 20.025 4.239 1.00 0.00 C ATOM 51 OG1 THR A 4 10.000 18.858 5.003 1.00 0.00 O ATOM 52 CG2 THR A 4 9.126 20.996 4.490 1.00 0.00 C ATOM 0 HA THR A 4 11.412 19.187 2.632 1.00 0.00 H new ATOM 0 HB THR A 4 11.196 20.493 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.043 19.076 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.047 21.195 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.321 21.928 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.191 20.564 4.132 1.00 0.00 H new ATOM 60 N VAL A 5 9.576 17.434 2.470 1.00 0.00 N ATOM 61 CA VAL A 5 8.601 16.432 2.065 1.00 0.00 C ATOM 62 C VAL A 5 8.401 15.376 3.152 1.00 0.00 C ATOM 63 O VAL A 5 9.339 14.673 3.535 1.00 0.00 O ATOM 64 CB VAL A 5 9.009 15.752 0.740 1.00 0.00 C ATOM 65 CG1 VAL A 5 10.337 15.021 0.885 1.00 0.00 C ATOM 66 CG2 VAL A 5 7.917 14.806 0.268 1.00 0.00 C ATOM 0 H VAL A 5 10.422 17.055 2.895 1.00 0.00 H new ATOM 0 HA VAL A 5 7.656 16.953 1.911 1.00 0.00 H new ATOM 0 HB VAL A 5 9.139 16.529 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.599 14.552 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.115 15.731 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.249 14.256 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.222 14.336 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.750 14.038 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.995 15.365 0.109 1.00 0.00 H new ATOM 76 N LYS A 6 7.167 15.275 3.641 1.00 0.00 N ATOM 77 CA LYS A 6 6.823 14.311 4.680 1.00 0.00 C ATOM 78 C LYS A 6 5.679 13.409 4.219 1.00 0.00 C ATOM 79 O LYS A 6 4.524 13.837 4.167 1.00 0.00 O ATOM 80 CB LYS A 6 6.433 15.039 5.971 1.00 0.00 C ATOM 81 CG LYS A 6 7.465 16.058 6.435 1.00 0.00 C ATOM 82 CD LYS A 6 7.051 16.719 7.740 1.00 0.00 C ATOM 83 CE LYS A 6 7.929 17.921 8.058 1.00 0.00 C ATOM 84 NZ LYS A 6 8.944 17.615 9.109 1.00 0.00 N ATOM 0 H LYS A 6 6.386 15.853 3.331 1.00 0.00 H new ATOM 0 HA LYS A 6 7.697 13.690 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.479 15.544 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.281 14.303 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.429 15.567 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.596 16.820 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.010 17.034 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.115 15.995 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.436 18.249 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.303 18.749 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.797 18.187 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.552 17.839 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.191 16.606 9.070 1.00 0.00 H new ATOM 98 N ARG A 7 6.011 12.164 3.875 1.00 0.00 N ATOM 99 CA ARG A 7 5.016 11.199 3.404 1.00 0.00 C ATOM 100 C ARG A 7 4.925 9.992 4.338 1.00 0.00 C ATOM 101 O ARG A 7 5.760 9.813 5.228 1.00 0.00 O ATOM 102 CB ARG A 7 5.357 10.724 1.988 1.00 0.00 C ATOM 103 CG ARG A 7 5.751 11.840 1.034 1.00 0.00 C ATOM 104 CD ARG A 7 6.995 11.477 0.243 1.00 0.00 C ATOM 105 NE ARG A 7 7.085 12.221 -1.009 1.00 0.00 N ATOM 106 CZ ARG A 7 8.072 12.078 -1.894 1.00 0.00 C ATOM 107 NH1 ARG A 7 9.047 11.198 -1.681 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.075 12.813 -2.999 1.00 0.00 N ATOM 0 H ARG A 7 6.963 11.799 3.914 1.00 0.00 H new ATOM 0 HA ARG A 7 4.050 11.704 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.174 10.005 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.496 10.197 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.928 12.043 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.930 12.756 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.880 11.677 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.989 10.408 0.030 1.00 0.00 H new ATOM 0 HE ARG A 7 6.347 12.892 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.043 10.627 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.799 11.095 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.325 13.483 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.828 12.708 -3.679 1.00 0.00 H new ATOM 122 N THR A 8 3.905 9.162 4.119 1.00 0.00 N ATOM 123 CA THR A 8 3.690 7.963 4.924 1.00 0.00 C ATOM 124 C THR A 8 2.764 6.987 4.196 1.00 0.00 C ATOM 125 O THR A 8 1.655 7.352 3.798 1.00 0.00 O ATOM 126 CB THR A 8 3.107 8.333 6.297 1.00 0.00 C ATOM 127 OG1 THR A 8 2.969 7.184 7.118 1.00 0.00 O ATOM 128 CG2 THR A 8 1.753 9.013 6.216 1.00 0.00 C ATOM 0 H THR A 8 3.211 9.301 3.385 1.00 0.00 H new ATOM 0 HA THR A 8 4.653 7.476 5.078 1.00 0.00 H new ATOM 0 HB THR A 8 3.820 9.037 6.727 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.583 6.486 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.402 9.246 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.842 9.934 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.041 8.348 5.728 1.00 0.00 H new ATOM 136 N ILE A 9 3.225 5.749 4.025 1.00 0.00 N ATOM 137 CA ILE A 9 2.439 4.729 3.348 1.00 0.00 C ATOM 138 C ILE A 9 1.865 3.731 4.347 1.00 0.00 C ATOM 139 O ILE A 9 2.603 3.036 5.049 1.00 0.00 O ATOM 140 CB ILE A 9 3.270 3.977 2.283 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.392 2.956 1.550 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.481 3.296 2.911 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.115 2.212 0.452 1.00 0.00 C ATOM 0 H ILE A 9 4.139 5.432 4.347 1.00 0.00 H new ATOM 0 HA ILE A 9 1.620 5.243 2.844 1.00 0.00 H new ATOM 0 HB ILE A 9 3.637 4.705 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.007 2.236 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.531 3.470 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.047 2.775 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.116 4.046 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.147 2.580 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.431 1.507 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.477 2.922 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.960 1.669 0.876 1.00 0.00 H new ATOM 155 N ARG A 10 0.540 3.664 4.400 1.00 0.00 N ATOM 156 CA ARG A 10 -0.145 2.752 5.303 1.00 0.00 C ATOM 157 C ARG A 10 -0.984 1.759 4.506 1.00 0.00 C ATOM 158 O ARG A 10 -1.905 2.152 3.787 1.00 0.00 O ATOM 159 CB ARG A 10 -1.028 3.532 6.280 1.00 0.00 C ATOM 160 CG ARG A 10 -0.304 4.672 6.983 1.00 0.00 C ATOM 161 CD ARG A 10 -1.257 5.797 7.349 1.00 0.00 C ATOM 162 NE ARG A 10 -1.410 5.940 8.795 1.00 0.00 N ATOM 163 CZ ARG A 10 -1.924 7.021 9.389 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.343 8.056 8.666 1.00 0.00 N ATOM 165 NH2 ARG A 10 -2.022 7.064 10.714 1.00 0.00 N ATOM 0 H ARG A 10 -0.082 4.233 3.826 1.00 0.00 H new ATOM 0 HA ARG A 10 0.600 2.201 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.884 3.936 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.420 2.845 7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.179 4.296 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.484 5.058 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.889 6.734 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.231 5.607 6.899 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.106 5.167 9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.273 8.029 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.734 8.877 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.705 6.273 11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.414 7.888 11.170 1.00 0.00 H new ATOM 179 N ILE A 11 -0.651 0.474 4.623 1.00 0.00 N ATOM 180 CA ILE A 11 -1.370 -0.572 3.900 1.00 0.00 C ATOM 181 C ILE A 11 -1.944 -1.619 4.851 1.00 0.00 C ATOM 182 O ILE A 11 -1.231 -2.156 5.701 1.00 0.00 O ATOM 183 CB ILE A 11 -0.465 -1.270 2.855 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.871 -1.687 3.484 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.233 -0.356 1.658 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.575 -2.800 2.739 1.00 0.00 C ATOM 0 H ILE A 11 0.110 0.134 5.210 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.191 -0.079 3.380 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.972 -2.171 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.528 -0.819 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.695 -2.005 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.405 -0.861 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.189 -0.114 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.252 0.562 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.511 -3.040 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.937 -3.684 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.784 -2.479 1.718 1.00 0.00 H new ATOM 198 N LYS A 12 -3.239 -1.900 4.701 1.00 0.00 N ATOM 199 CA LYS A 12 -3.925 -2.880 5.542 1.00 0.00 C ATOM 200 C LYS A 12 -4.485 -4.024 4.698 1.00 0.00 C ATOM 201 O LYS A 12 -4.968 -3.803 3.588 1.00 0.00 O ATOM 202 CB LYS A 12 -5.054 -2.207 6.325 1.00 0.00 C ATOM 203 CG LYS A 12 -4.578 -1.453 7.557 1.00 0.00 C ATOM 204 CD LYS A 12 -4.052 -0.070 7.203 1.00 0.00 C ATOM 205 CE LYS A 12 -3.167 0.490 8.306 1.00 0.00 C ATOM 206 NZ LYS A 12 -3.953 0.884 9.511 1.00 0.00 N ATOM 0 H LYS A 12 -3.836 -1.460 4.001 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.200 -3.292 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.579 -1.515 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.775 -2.965 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.400 -1.359 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.793 -2.025 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.486 -0.122 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.890 0.605 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.423 -0.256 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.623 1.356 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.310 1.260 10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.646 1.614 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.452 0.053 9.887 1.00 0.00 H new ATOM 220 N THR A 13 -4.412 -5.247 5.229 1.00 0.00 N ATOM 221 CA THR A 13 -4.907 -6.426 4.521 1.00 0.00 C ATOM 222 C THR A 13 -5.675 -7.353 5.463 1.00 0.00 C ATOM 223 O THR A 13 -5.086 -7.977 6.350 1.00 0.00 O ATOM 224 CB THR A 13 -3.745 -7.191 3.872 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.841 -6.303 3.239 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.197 -8.203 2.839 1.00 0.00 C ATOM 0 H THR A 13 -4.014 -5.445 6.147 1.00 0.00 H new ATOM 0 HA THR A 13 -5.588 -6.084 3.742 1.00 0.00 H new ATOM 0 HB THR A 13 -3.261 -7.722 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.109 -6.814 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.327 -8.708 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.850 -8.937 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.739 -7.693 2.043 1.00 0.00 H new ATOM 234 N GLN A 14 -6.991 -7.441 5.262 1.00 0.00 N ATOM 235 CA GLN A 14 -7.840 -8.294 6.089 1.00 0.00 C ATOM 236 C GLN A 14 -8.639 -9.265 5.222 1.00 0.00 C ATOM 237 O GLN A 14 -9.278 -8.860 4.251 1.00 0.00 O ATOM 238 CB GLN A 14 -8.786 -7.443 6.940 1.00 0.00 C ATOM 239 CG GLN A 14 -8.124 -6.851 8.174 1.00 0.00 C ATOM 240 CD GLN A 14 -7.706 -5.405 7.975 1.00 0.00 C ATOM 241 OE1 GLN A 14 -6.663 -5.125 7.385 1.00 0.00 O ATOM 242 NE2 GLN A 14 -8.520 -4.475 8.467 1.00 0.00 N ATOM 0 H GLN A 14 -7.490 -6.931 4.533 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.198 -8.873 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.184 -6.634 6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.633 -8.055 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.813 -6.914 9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.248 -7.446 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.376 -4.750 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.289 -3.487 8.362 1.00 0.00 H new ATOM 251 N GLN A 15 -8.595 -10.552 5.575 1.00 0.00 N ATOM 252 CA GLN A 15 -9.315 -11.582 4.820 1.00 0.00 C ATOM 253 C GLN A 15 -10.096 -12.505 5.754 1.00 0.00 C ATOM 254 O GLN A 15 -9.633 -12.829 6.848 1.00 0.00 O ATOM 255 CB GLN A 15 -8.329 -12.402 3.979 1.00 0.00 C ATOM 256 CG GLN A 15 -8.958 -13.605 3.290 1.00 0.00 C ATOM 257 CD GLN A 15 -8.550 -13.727 1.835 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.553 -14.367 1.513 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.323 -13.115 0.946 1.00 0.00 N ATOM 0 H GLN A 15 -8.071 -10.905 6.375 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.026 -11.084 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.885 -11.754 3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.518 -12.746 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.671 -14.513 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.043 -13.528 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.143 -12.593 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.097 -13.166 -0.047 1.00 0.00 H new ATOM 268 N HIS A 16 -11.282 -12.934 5.314 1.00 0.00 N ATOM 269 CA HIS A 16 -12.109 -13.828 6.121 1.00 0.00 C ATOM 270 C HIS A 16 -12.755 -14.910 5.258 1.00 0.00 C ATOM 271 O HIS A 16 -13.526 -14.611 4.350 1.00 0.00 O ATOM 272 CB HIS A 16 -13.190 -13.026 6.849 1.00 0.00 C ATOM 273 CG HIS A 16 -14.057 -13.859 7.743 1.00 0.00 C ATOM 274 ND1 HIS A 16 -13.688 -14.225 9.019 1.00 0.00 N ATOM 275 CD2 HIS A 16 -15.284 -14.396 7.540 1.00 0.00 C ATOM 276 CE1 HIS A 16 -14.649 -14.951 9.562 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.628 -15.067 8.685 1.00 0.00 N ATOM 0 H HIS A 16 -11.686 -12.679 4.413 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.466 -14.316 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.713 -12.246 7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.818 -12.526 6.112 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.880 -14.311 6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.636 -15.377 10.554 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.500 -15.574 8.835 1.00 0.00 H new ATOM 286 N ILE A 17 -12.445 -16.171 5.559 1.00 0.00 N ATOM 287 CA ILE A 17 -13.006 -17.295 4.815 1.00 0.00 C ATOM 288 C ILE A 17 -13.832 -18.193 5.732 1.00 0.00 C ATOM 289 O ILE A 17 -13.286 -18.866 6.608 1.00 0.00 O ATOM 290 CB ILE A 17 -11.905 -18.141 4.133 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.819 -17.241 3.531 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.514 -19.036 3.061 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.673 -18.007 2.903 1.00 0.00 C ATOM 0 H ILE A 17 -11.810 -16.438 6.311 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.647 -16.873 4.041 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.439 -18.772 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.270 -16.597 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.425 -16.590 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.728 -19.626 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.245 -19.704 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.006 -18.419 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.944 -17.305 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.195 -18.631 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.054 -18.637 2.100 1.00 0.00 H new ATOM 476 N VAL A 29 -16.511 -19.494 -0.393 1.00 0.00 N ATOM 477 CA VAL A 29 -16.774 -18.064 -0.258 1.00 0.00 C ATOM 478 C VAL A 29 -15.816 -17.428 0.750 1.00 0.00 C ATOM 479 O VAL A 29 -15.728 -17.871 1.897 1.00 0.00 O ATOM 480 CB VAL A 29 -18.227 -17.795 0.188 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.545 -16.308 0.115 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.209 -18.598 -0.657 1.00 0.00 C ATOM 0 HA VAL A 29 -16.619 -17.617 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.330 -18.116 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.574 -16.140 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.868 -15.759 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.421 -15.959 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.227 -18.393 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.105 -18.314 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.999 -19.662 -0.547 1.00 0.00 H new ATOM 492 N ARG A 30 -15.101 -16.389 0.312 1.00 0.00 N ATOM 493 CA ARG A 30 -14.148 -15.693 1.177 1.00 0.00 C ATOM 494 C ARG A 30 -14.316 -14.176 1.083 1.00 0.00 C ATOM 495 O ARG A 30 -14.964 -13.668 0.172 1.00 0.00 O ATOM 496 CB ARG A 30 -12.707 -16.083 0.820 1.00 0.00 C ATOM 497 CG ARG A 30 -12.428 -16.137 -0.677 1.00 0.00 C ATOM 498 CD ARG A 30 -11.284 -17.085 -0.998 1.00 0.00 C ATOM 499 NE ARG A 30 -11.603 -18.471 -0.652 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.859 -19.520 -1.011 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.761 -19.349 -1.743 1.00 0.00 N ATOM 502 NH2 ARG A 30 -11.218 -20.744 -0.642 1.00 0.00 N ATOM 0 H ARG A 30 -15.164 -16.013 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.354 -15.997 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.024 -15.368 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.488 -17.058 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.326 -16.458 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.186 -15.138 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.049 -17.022 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.392 -16.773 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.445 -18.646 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.483 -18.412 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.198 -20.155 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.061 -20.882 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.651 -21.546 -0.916 1.00 0.00 H new ATOM 516 N GLN A 31 -13.728 -13.461 2.035 1.00 0.00 N ATOM 517 CA GLN A 31 -13.808 -12.006 2.067 1.00 0.00 C ATOM 518 C GLN A 31 -12.413 -11.390 2.060 1.00 0.00 C ATOM 519 O GLN A 31 -11.437 -12.041 2.432 1.00 0.00 O ATOM 520 CB GLN A 31 -14.586 -11.541 3.299 1.00 0.00 C ATOM 521 CG GLN A 31 -15.712 -10.569 2.977 1.00 0.00 C ATOM 522 CD GLN A 31 -16.864 -10.663 3.957 1.00 0.00 C ATOM 523 OE1 GLN A 31 -16.864 -10.007 4.998 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.857 -11.483 3.629 1.00 0.00 N ATOM 0 H GLN A 31 -13.188 -13.868 2.799 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.337 -11.673 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.003 -12.412 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.896 -11.066 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.320 -9.552 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.080 -10.766 1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.817 -12.009 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.659 -11.587 4.250 1.00 0.00 H new ATOM 533 N TRP A 32 -12.326 -10.137 1.622 1.00 0.00 N ATOM 534 CA TRP A 32 -11.048 -9.432 1.552 1.00 0.00 C ATOM 535 C TRP A 32 -11.241 -7.919 1.614 1.00 0.00 C ATOM 536 O TRP A 32 -12.190 -7.377 1.046 1.00 0.00 O ATOM 537 CB TRP A 32 -10.300 -9.808 0.266 1.00 0.00 C ATOM 538 CG TRP A 32 -11.153 -9.753 -0.967 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.111 -10.652 -1.342 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.125 -8.748 -1.987 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.682 -10.265 -2.529 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.094 -9.099 -2.945 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.379 -7.581 -2.179 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.328 -8.331 -4.083 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.614 -6.819 -3.310 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.584 -7.193 -4.246 1.00 0.00 C ATOM 0 H TRP A 32 -13.127 -9.588 1.310 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.456 -9.736 2.416 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.451 -9.135 0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.896 -10.815 0.373 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.380 -11.538 -0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.423 -10.764 -3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.633 -7.280 -1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.070 -8.623 -4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.038 -5.920 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.749 -6.572 -5.114 1.00 0.00 H new ATOM 557 N SER A 33 -10.323 -7.244 2.306 1.00 0.00 N ATOM 558 CA SER A 33 -10.371 -5.792 2.451 1.00 0.00 C ATOM 559 C SER A 33 -8.958 -5.221 2.542 1.00 0.00 C ATOM 560 O SER A 33 -8.207 -5.548 3.465 1.00 0.00 O ATOM 561 CB SER A 33 -11.178 -5.405 3.696 1.00 0.00 C ATOM 562 OG SER A 33 -10.737 -6.121 4.840 1.00 0.00 O ATOM 0 H SER A 33 -9.533 -7.685 2.777 1.00 0.00 H new ATOM 0 HA SER A 33 -10.862 -5.373 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.082 -4.334 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.235 -5.606 3.524 1.00 0.00 H new ATOM 0 HG SER A 33 -11.268 -5.853 5.619 1.00 0.00 H new ATOM 568 N ILE A 34 -8.596 -4.379 1.576 1.00 0.00 N ATOM 569 CA ILE A 34 -7.266 -3.777 1.548 1.00 0.00 C ATOM 570 C ILE A 34 -7.334 -2.276 1.268 1.00 0.00 C ATOM 571 O ILE A 34 -8.139 -1.826 0.455 1.00 0.00 O ATOM 572 CB ILE A 34 -6.369 -4.452 0.485 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.947 -3.883 0.540 1.00 0.00 C ATOM 574 CG2 ILE A 34 -6.965 -4.284 -0.908 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.882 -4.939 0.733 1.00 0.00 C ATOM 0 H ILE A 34 -9.203 -4.099 0.805 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.831 -3.931 2.535 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.319 -5.518 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.746 -3.340 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.884 -3.162 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.318 -4.766 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.953 -4.743 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.050 -3.223 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.901 -4.465 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.059 -5.467 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.918 -5.647 -0.095 1.00 0.00 H new ATOM 587 N GLU A 35 -6.475 -1.510 1.944 1.00 0.00 N ATOM 588 CA GLU A 35 -6.423 -0.061 1.768 1.00 0.00 C ATOM 589 C GLU A 35 -4.982 0.405 1.557 1.00 0.00 C ATOM 590 O GLU A 35 -4.072 -0.017 2.273 1.00 0.00 O ATOM 591 CB GLU A 35 -7.037 0.649 2.981 1.00 0.00 C ATOM 592 CG GLU A 35 -6.311 0.375 4.293 1.00 0.00 C ATOM 593 CD GLU A 35 -5.798 1.639 4.954 1.00 0.00 C ATOM 594 OE1 GLU A 35 -4.715 2.118 4.560 1.00 0.00 O ATOM 595 OE2 GLU A 35 -6.477 2.150 5.870 1.00 0.00 O ATOM 0 H GLU A 35 -5.804 -1.873 2.621 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.003 0.196 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.040 1.723 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.077 0.340 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.987 -0.139 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.474 -0.298 4.106 1.00 0.00 H new ATOM 602 N ILE A 36 -4.781 1.272 0.566 1.00 0.00 N ATOM 603 CA ILE A 36 -3.453 1.792 0.252 1.00 0.00 C ATOM 604 C ILE A 36 -3.451 3.319 0.285 1.00 0.00 C ATOM 605 O ILE A 36 -3.987 3.962 -0.616 1.00 0.00 O ATOM 606 CB ILE A 36 -2.979 1.315 -1.140 1.00 0.00 C ATOM 607 CG1 ILE A 36 -3.143 -0.201 -1.280 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.533 1.722 -1.385 1.00 0.00 C ATOM 609 CD1 ILE A 36 -3.182 -0.671 -2.718 1.00 0.00 C ATOM 0 H ILE A 36 -5.524 1.630 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.768 1.410 1.009 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.603 1.796 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.320 -0.697 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.062 -0.507 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.220 1.376 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.447 2.808 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.895 1.274 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.300 -1.754 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.022 -0.202 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.253 -0.395 -3.216 1.00 0.00 H new ATOM 621 N VAL A 37 -2.853 3.895 1.326 1.00 0.00 N ATOM 622 CA VAL A 37 -2.797 5.350 1.467 1.00 0.00 C ATOM 623 C VAL A 37 -1.353 5.856 1.461 1.00 0.00 C ATOM 624 O VAL A 37 -0.442 5.163 1.916 1.00 0.00 O ATOM 625 CB VAL A 37 -3.485 5.814 2.767 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.627 7.331 2.796 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.843 5.143 2.936 1.00 0.00 C ATOM 0 H VAL A 37 -2.402 3.380 2.082 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.326 5.768 0.611 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.853 5.515 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.115 7.633 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.640 7.790 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.228 7.657 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.307 5.488 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.483 5.399 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.712 4.062 2.977 1.00 0.00 H new ATOM 637 N LEU A 38 -1.158 7.073 0.941 1.00 0.00 N ATOM 638 CA LEU A 38 0.170 7.679 0.874 1.00 0.00 C ATOM 639 C LEU A 38 0.081 9.200 0.730 1.00 0.00 C ATOM 640 O LEU A 38 -0.862 9.722 0.129 1.00 0.00 O ATOM 641 CB LEU A 38 0.965 7.087 -0.294 1.00 0.00 C ATOM 642 CG LEU A 38 2.276 6.400 0.097 1.00 0.00 C ATOM 643 CD1 LEU A 38 2.644 5.336 -0.926 1.00 0.00 C ATOM 644 CD2 LEU A 38 3.398 7.419 0.239 1.00 0.00 C ATOM 0 H LEU A 38 -1.905 7.655 0.561 1.00 0.00 H new ATOM 0 HA LEU A 38 0.686 7.457 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.335 6.365 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.188 7.884 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 38 2.134 5.915 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.578 4.857 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.853 4.588 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.765 5.799 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.320 6.909 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.542 7.936 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.137 8.143 1.011 1.00 0.00 H new ATOM 656 N LEU A 39 1.073 9.902 1.284 1.00 0.00 N ATOM 657 CA LEU A 39 1.120 11.364 1.222 1.00 0.00 C ATOM 658 C LEU A 39 2.122 11.842 0.172 1.00 0.00 C ATOM 659 O LEU A 39 3.012 11.095 -0.239 1.00 0.00 O ATOM 660 CB LEU A 39 1.494 11.941 2.592 1.00 0.00 C ATOM 661 CG LEU A 39 0.532 12.996 3.146 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.857 12.405 3.353 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.070 13.568 4.450 1.00 0.00 C ATOM 0 H LEU A 39 1.856 9.479 1.782 1.00 0.00 H new ATOM 0 HA LEU A 39 0.129 11.717 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.558 11.121 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.489 12.382 2.522 1.00 0.00 H new ATOM 0 HG LEU A 39 0.451 13.804 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.524 13.172 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.244 12.042 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.799 11.577 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.376 14.317 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.179 12.767 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.041 14.031 4.271 1.00 0.00 H new ATOM 675 N ASP A 40 1.970 13.100 -0.251 1.00 0.00 N ATOM 676 CA ASP A 40 2.858 13.702 -1.249 1.00 0.00 C ATOM 677 C ASP A 40 2.554 15.190 -1.434 1.00 0.00 C ATOM 678 O ASP A 40 3.467 16.016 -1.489 1.00 0.00 O ATOM 679 CB ASP A 40 2.732 12.977 -2.594 1.00 0.00 C ATOM 680 CG ASP A 40 3.995 13.077 -3.429 1.00 0.00 C ATOM 681 OD1 ASP A 40 5.097 12.909 -2.867 1.00 0.00 O ATOM 682 OD2 ASP A 40 3.884 13.323 -4.647 1.00 0.00 O ATOM 0 H ASP A 40 1.236 13.724 0.084 1.00 0.00 H new ATOM 0 HA ASP A 40 3.880 13.600 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.500 11.927 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.896 13.398 -3.153 1.00 0.00 H new ATOM 687 N ASP A 41 1.263 15.520 -1.528 1.00 0.00 N ATOM 688 CA ASP A 41 0.822 16.904 -1.707 1.00 0.00 C ATOM 689 C ASP A 41 0.873 17.697 -0.393 1.00 0.00 C ATOM 690 O ASP A 41 0.510 18.875 -0.368 1.00 0.00 O ATOM 691 CB ASP A 41 -0.601 16.937 -2.274 1.00 0.00 C ATOM 692 CG ASP A 41 -0.709 16.244 -3.621 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.771 14.997 -3.643 1.00 0.00 O ATOM 694 OD2 ASP A 41 -0.734 16.950 -4.650 1.00 0.00 O ATOM 0 H ASP A 41 0.502 14.842 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 41 1.509 17.375 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.281 16.459 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.924 17.973 -2.376 1.00 0.00 H new ATOM 699 N GLU A 42 1.324 17.060 0.694 1.00 0.00 N ATOM 700 CA GLU A 42 1.417 17.730 1.988 1.00 0.00 C ATOM 701 C GLU A 42 2.749 18.467 2.123 1.00 0.00 C ATOM 702 O GLU A 42 2.809 19.552 2.704 1.00 0.00 O ATOM 703 CB GLU A 42 1.265 16.721 3.129 1.00 0.00 C ATOM 704 CG GLU A 42 -0.153 16.609 3.664 1.00 0.00 C ATOM 705 CD GLU A 42 -0.700 17.937 4.154 1.00 0.00 C ATOM 706 OE1 GLU A 42 -0.213 18.432 5.192 1.00 0.00 O ATOM 707 OE2 GLU A 42 -1.609 18.483 3.497 1.00 0.00 O ATOM 0 H GLU A 42 1.628 16.086 0.700 1.00 0.00 H new ATOM 0 HA GLU A 42 0.607 18.457 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.590 15.741 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.930 17.006 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.803 16.220 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.173 15.889 4.482 1.00 0.00 H new ATOM 714 N GLY A 43 3.815 17.873 1.582 1.00 0.00 N ATOM 715 CA GLY A 43 5.128 18.488 1.653 1.00 0.00 C ATOM 716 C GLY A 43 5.638 18.936 0.297 1.00 0.00 C ATOM 717 O GLY A 43 5.682 20.134 0.010 1.00 0.00 O ATOM 0 H GLY A 43 3.789 16.976 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.087 19.347 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.834 17.779 2.086 1.00 0.00 H new ATOM 721 N LYS A 44 6.026 17.970 -0.533 1.00 0.00 N ATOM 722 CA LYS A 44 6.541 18.258 -1.868 1.00 0.00 C ATOM 723 C LYS A 44 6.063 17.213 -2.871 1.00 0.00 C ATOM 724 O LYS A 44 6.400 16.033 -2.761 1.00 0.00 O ATOM 725 CB LYS A 44 8.072 18.307 -1.852 1.00 0.00 C ATOM 726 CG LYS A 44 8.646 19.628 -2.336 1.00 0.00 C ATOM 727 CD LYS A 44 9.510 19.444 -3.572 1.00 0.00 C ATOM 728 CE LYS A 44 10.412 20.648 -3.804 1.00 0.00 C ATOM 729 NZ LYS A 44 9.836 21.598 -4.797 1.00 0.00 N ATOM 0 H LYS A 44 5.993 16.977 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 44 6.159 19.232 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.422 18.119 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.459 17.502 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.833 20.318 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.239 20.081 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.119 18.547 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.873 19.291 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.574 21.166 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.387 20.308 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.449 22.434 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.768 21.132 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.888 21.892 -4.487 1.00 0.00 H new ATOM 743 N GLU A 45 5.278 17.660 -3.849 1.00 0.00 N ATOM 744 CA GLU A 45 4.746 16.770 -4.880 1.00 0.00 C ATOM 745 C GLU A 45 5.635 16.777 -6.131 1.00 0.00 C ATOM 746 O GLU A 45 5.139 16.683 -7.255 1.00 0.00 O ATOM 747 CB GLU A 45 3.312 17.185 -5.247 1.00 0.00 C ATOM 748 CG GLU A 45 3.189 18.625 -5.732 1.00 0.00 C ATOM 749 CD GLU A 45 2.335 18.758 -6.981 1.00 0.00 C ATOM 750 OE1 GLU A 45 2.726 18.209 -8.032 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.275 19.415 -6.905 1.00 0.00 O ATOM 0 H GLU A 45 4.996 18.635 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 45 4.734 15.756 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.939 16.518 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.671 17.050 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.759 19.235 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.184 19.021 -5.935 1.00 0.00 H new ATOM 758 N ILE A 46 6.949 16.892 -5.931 1.00 0.00 N ATOM 759 CA ILE A 46 7.892 16.917 -7.041 1.00 0.00 C ATOM 760 C ILE A 46 9.048 15.947 -6.808 1.00 0.00 C ATOM 761 O ILE A 46 9.711 16.000 -5.771 1.00 0.00 O ATOM 762 CB ILE A 46 8.462 18.338 -7.259 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.330 19.373 -7.336 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.313 18.380 -8.522 1.00 0.00 C ATOM 765 CD1 ILE A 46 6.945 19.960 -5.993 1.00 0.00 C ATOM 0 H ILE A 46 7.380 16.969 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 46 7.342 16.611 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 46 9.094 18.589 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.634 20.181 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.453 18.905 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.707 19.387 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.140 17.676 -8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.701 18.107 -9.382 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.140 20.682 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.609 19.163 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.809 20.458 -5.553 1.00 0.00 H new ATOM 777 N PRO A 47 9.308 15.044 -7.779 1.00 0.00 N ATOM 778 CA PRO A 47 10.392 14.059 -7.681 1.00 0.00 C ATOM 779 C PRO A 47 11.772 14.683 -7.906 1.00 0.00 C ATOM 780 O PRO A 47 11.900 15.902 -8.040 1.00 0.00 O ATOM 781 CB PRO A 47 10.064 13.070 -8.800 1.00 0.00 C ATOM 782 CG PRO A 47 9.346 13.885 -9.820 1.00 0.00 C ATOM 783 CD PRO A 47 8.562 14.916 -9.051 1.00 0.00 C ATOM 0 HA PRO A 47 10.446 13.607 -6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.969 12.624 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.443 12.252 -8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.048 14.360 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.685 13.262 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.515 15.865 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.534 14.594 -8.882 1.00 0.00 H new ATOM 791 N ALA A 48 12.803 13.835 -7.950 1.00 0.00 N ATOM 792 CA ALA A 48 14.172 14.295 -8.162 1.00 0.00 C ATOM 793 C ALA A 48 15.045 13.201 -8.777 1.00 0.00 C ATOM 794 O ALA A 48 15.530 13.346 -9.899 1.00 0.00 O ATOM 795 CB ALA A 48 14.776 14.788 -6.853 1.00 0.00 C ATOM 0 H ALA A 48 12.712 12.825 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 48 14.137 15.124 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.797 15.127 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.180 15.615 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.784 13.975 -6.127 1.00 0.00 H new ATOM 801 N THR A 49 15.237 12.106 -8.039 1.00 0.00 N ATOM 802 CA THR A 49 16.052 10.990 -8.520 1.00 0.00 C ATOM 803 C THR A 49 15.165 9.881 -9.080 1.00 0.00 C ATOM 804 O THR A 49 15.191 9.600 -10.279 1.00 0.00 O ATOM 805 CB THR A 49 16.934 10.439 -7.391 1.00 0.00 C ATOM 806 OG1 THR A 49 17.669 11.484 -6.776 1.00 0.00 O ATOM 807 CG2 THR A 49 17.926 9.387 -7.851 1.00 0.00 C ATOM 0 H THR A 49 14.841 11.969 -7.109 1.00 0.00 H new ATOM 0 HA THR A 49 16.697 11.359 -9.318 1.00 0.00 H new ATOM 0 HB THR A 49 16.242 9.973 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.224 11.115 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.514 9.044 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.388 8.544 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.590 9.816 -8.601 1.00 0.00 H new ATOM 815 N ILE A 50 14.382 9.259 -8.203 1.00 0.00 N ATOM 816 CA ILE A 50 13.486 8.184 -8.601 1.00 0.00 C ATOM 817 C ILE A 50 12.066 8.457 -8.094 1.00 0.00 C ATOM 818 O ILE A 50 11.298 9.147 -8.766 1.00 0.00 O ATOM 819 CB ILE A 50 14.007 6.813 -8.096 1.00 0.00 C ATOM 820 CG1 ILE A 50 15.404 6.540 -8.658 1.00 0.00 C ATOM 821 CG2 ILE A 50 13.055 5.696 -8.484 1.00 0.00 C ATOM 822 CD1 ILE A 50 16.169 5.475 -7.903 1.00 0.00 C ATOM 0 H ILE A 50 14.352 9.484 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 50 13.457 8.145 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 50 14.065 6.848 -7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.313 6.238 -9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.979 7.466 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.442 4.745 -8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.076 5.883 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.963 5.657 -9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.149 5.338 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.293 5.783 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.617 4.536 -7.939 1.00 0.00 H new ATOM 834 N PHE A 51 11.727 7.938 -6.908 1.00 0.00 N ATOM 835 CA PHE A 51 10.408 8.148 -6.317 1.00 0.00 C ATOM 836 C PHE A 51 9.307 7.553 -7.188 1.00 0.00 C ATOM 837 O PHE A 51 8.859 8.167 -8.158 1.00 0.00 O ATOM 838 CB PHE A 51 10.158 9.639 -6.080 1.00 0.00 C ATOM 839 CG PHE A 51 8.814 9.945 -5.474 1.00 0.00 C ATOM 840 CD1 PHE A 51 8.411 9.348 -4.287 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.953 10.833 -6.097 1.00 0.00 C ATOM 842 CE1 PHE A 51 7.176 9.636 -3.736 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.719 11.122 -5.549 1.00 0.00 C ATOM 844 CZ PHE A 51 6.330 10.523 -4.370 1.00 0.00 C ATOM 0 H PHE A 51 12.354 7.368 -6.340 1.00 0.00 H new ATOM 0 HA PHE A 51 10.387 7.633 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.938 10.028 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.246 10.167 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.069 8.651 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.250 11.305 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.874 9.168 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.058 11.818 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.364 10.748 -3.943 1.00 0.00 H new ATOM 854 N ASP A 52 8.880 6.351 -6.825 1.00 0.00 N ATOM 855 CA ASP A 52 7.831 5.645 -7.551 1.00 0.00 C ATOM 856 C ASP A 52 7.293 4.498 -6.707 1.00 0.00 C ATOM 857 O ASP A 52 8.002 3.526 -6.435 1.00 0.00 O ATOM 858 CB ASP A 52 8.342 5.112 -8.900 1.00 0.00 C ATOM 859 CG ASP A 52 9.850 5.169 -9.037 1.00 0.00 C ATOM 860 OD1 ASP A 52 10.523 4.252 -8.528 1.00 0.00 O ATOM 861 OD2 ASP A 52 10.355 6.130 -9.654 1.00 0.00 O ATOM 0 H ASP A 52 9.248 5.839 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 52 7.028 6.354 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.012 4.080 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.889 5.690 -9.706 1.00 0.00 H new ATOM 866 N LYS A 53 6.041 4.621 -6.283 1.00 0.00 N ATOM 867 CA LYS A 53 5.406 3.601 -5.461 1.00 0.00 C ATOM 868 C LYS A 53 4.473 2.741 -6.304 1.00 0.00 C ATOM 869 O LYS A 53 3.568 3.257 -6.960 1.00 0.00 O ATOM 870 CB LYS A 53 4.633 4.252 -4.310 1.00 0.00 C ATOM 871 CG LYS A 53 5.405 5.353 -3.597 1.00 0.00 C ATOM 872 CD LYS A 53 4.505 6.528 -3.253 1.00 0.00 C ATOM 873 CE LYS A 53 4.502 7.578 -4.353 1.00 0.00 C ATOM 874 NZ LYS A 53 3.567 8.700 -4.052 1.00 0.00 N ATOM 0 H LYS A 53 5.444 5.420 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 53 6.183 2.961 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.703 4.666 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.362 3.484 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.851 4.955 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.224 5.693 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.488 6.171 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.839 6.981 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.510 7.971 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.218 7.113 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.981 9.595 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.662 8.537 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.405 8.751 -3.026 1.00 0.00 H new ATOM 888 N VAL A 54 4.699 1.430 -6.291 1.00 0.00 N ATOM 889 CA VAL A 54 3.872 0.509 -7.065 1.00 0.00 C ATOM 890 C VAL A 54 3.430 -0.678 -6.217 1.00 0.00 C ATOM 891 O VAL A 54 4.255 -1.466 -5.748 1.00 0.00 O ATOM 892 CB VAL A 54 4.600 0.004 -8.330 1.00 0.00 C ATOM 893 CG1 VAL A 54 4.702 1.111 -9.369 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.979 -0.540 -7.986 1.00 0.00 C ATOM 0 H VAL A 54 5.444 0.983 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 54 2.991 1.068 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 54 4.013 -0.811 -8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.218 0.735 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.702 1.442 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.260 1.950 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.470 -0.889 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.578 0.248 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.879 -1.370 -7.286 1.00 0.00 H new ATOM 904 N ILE A 55 2.121 -0.789 -6.018 1.00 0.00 N ATOM 905 CA ILE A 55 1.551 -1.866 -5.223 1.00 0.00 C ATOM 906 C ILE A 55 0.928 -2.942 -6.115 1.00 0.00 C ATOM 907 O ILE A 55 0.443 -2.653 -7.209 1.00 0.00 O ATOM 908 CB ILE A 55 0.478 -1.331 -4.249 1.00 0.00 C ATOM 909 CG1 ILE A 55 1.005 -0.115 -3.477 1.00 0.00 C ATOM 910 CG2 ILE A 55 0.037 -2.424 -3.290 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.617 1.207 -4.099 1.00 0.00 C ATOM 0 H ILE A 55 1.432 -0.141 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 55 2.367 -2.307 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.387 -1.015 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.628 -0.152 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.092 -0.175 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.719 -2.029 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.382 -3.257 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.895 -2.771 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.023 2.023 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.017 1.264 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.469 1.288 -4.133 1.00 0.00 H new ATOM 923 N TYR A 56 0.949 -4.182 -5.637 1.00 0.00 N ATOM 924 CA TYR A 56 0.391 -5.309 -6.379 1.00 0.00 C ATOM 925 C TYR A 56 -0.383 -6.231 -5.439 1.00 0.00 C ATOM 926 O TYR A 56 0.180 -6.776 -4.491 1.00 0.00 O ATOM 927 CB TYR A 56 1.505 -6.090 -7.083 1.00 0.00 C ATOM 928 CG TYR A 56 1.927 -5.491 -8.409 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.641 -4.299 -8.462 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.611 -6.120 -9.607 1.00 0.00 C ATOM 931 CE1 TYR A 56 3.027 -3.751 -9.672 1.00 0.00 C ATOM 932 CE2 TYR A 56 1.994 -5.579 -10.818 1.00 0.00 C ATOM 933 CZ TYR A 56 2.702 -4.395 -10.845 1.00 0.00 C ATOM 934 OH TYR A 56 3.083 -3.852 -12.052 1.00 0.00 O ATOM 0 H TYR A 56 1.349 -4.434 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.294 -4.921 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.373 -6.140 -6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.170 -7.114 -7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.898 -3.793 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.057 -7.047 -9.591 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.580 -2.824 -9.697 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.741 -6.080 -11.740 1.00 0.00 H new ATOM 0 HH TYR A 56 2.777 -4.430 -12.782 1.00 0.00 H new ATOM 944 N HIS A 57 -1.678 -6.389 -5.699 1.00 0.00 N ATOM 945 CA HIS A 57 -2.528 -7.238 -4.868 1.00 0.00 C ATOM 946 C HIS A 57 -3.209 -8.317 -5.703 1.00 0.00 C ATOM 947 O HIS A 57 -4.007 -8.009 -6.590 1.00 0.00 O ATOM 948 CB HIS A 57 -3.583 -6.390 -4.152 1.00 0.00 C ATOM 949 CG HIS A 57 -3.014 -5.406 -3.171 1.00 0.00 C ATOM 950 ND1 HIS A 57 -1.729 -5.490 -2.669 1.00 0.00 N ATOM 951 CD2 HIS A 57 -3.566 -4.310 -2.598 1.00 0.00 C ATOM 952 CE1 HIS A 57 -1.521 -4.493 -1.830 1.00 0.00 C ATOM 953 NE2 HIS A 57 -2.617 -3.762 -1.770 1.00 0.00 N ATOM 0 H HIS A 57 -2.162 -5.941 -6.477 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.895 -7.726 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.166 -5.849 -4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.272 -7.052 -3.628 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.048 -6.210 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.566 -3.937 -2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.608 -4.307 -1.285 1.00 0.00 H new ATOM 962 N LEU A 58 -2.885 -9.585 -5.414 1.00 0.00 N ATOM 963 CA LEU A 58 -3.459 -10.723 -6.137 1.00 0.00 C ATOM 964 C LEU A 58 -3.040 -10.703 -7.608 1.00 0.00 C ATOM 965 O LEU A 58 -2.283 -9.828 -8.034 1.00 0.00 O ATOM 966 CB LEU A 58 -4.992 -10.719 -6.023 1.00 0.00 C ATOM 967 CG LEU A 58 -5.540 -10.847 -4.597 1.00 0.00 C ATOM 968 CD1 LEU A 58 -5.919 -9.481 -4.041 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.740 -11.783 -4.567 1.00 0.00 C ATOM 0 H LEU A 58 -2.226 -9.847 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.077 -11.637 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.371 -9.795 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.387 -11.539 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.756 -11.269 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.306 -9.595 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.039 -8.838 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.684 -9.031 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.115 -11.861 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.525 -11.389 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.441 -12.770 -4.920 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.922 -4.182 -11.504 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.876 -3.662 -10.612 1.00 0.00 C ATOM 1073 C PRO A 65 -2.256 -2.323 -9.976 1.00 0.00 C ATOM 1074 O PRO A 65 -3.259 -1.708 -10.346 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.661 -3.479 -11.533 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.966 -4.278 -12.754 1.00 0.00 C ATOM 1077 CD PRO A 65 -2.459 -4.265 -12.895 1.00 0.00 C ATOM 0 HA PRO A 65 -1.698 -4.339 -9.776 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.509 -2.428 -11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.253 -3.829 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.487 -3.846 -13.633 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.592 -5.297 -12.657 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.801 -3.415 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.825 -5.165 -13.389 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.441 -1.882 -9.019 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.676 -0.618 -8.322 1.00 0.00 C ATOM 1087 C ASN A 66 -0.453 0.292 -8.423 1.00 0.00 C ATOM 1088 O ASN A 66 0.686 -0.160 -8.292 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.015 -0.878 -6.849 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.393 -1.493 -6.660 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.687 -2.563 -7.197 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.246 -0.824 -5.891 1.00 0.00 N ATOM 0 H ASN A 66 -0.609 -2.383 -8.708 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.520 -0.119 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.264 -1.542 -6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.963 0.061 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.183 -1.193 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.964 0.059 -5.465 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.695 1.579 -8.662 1.00 0.00 N ATOM 1100 CA ARG A 67 0.386 2.551 -8.785 1.00 0.00 C ATOM 1101 C ARG A 67 0.136 3.772 -7.902 1.00 0.00 C ATOM 1102 O ARG A 67 -1.008 4.183 -7.698 1.00 0.00 O ATOM 1103 CB ARG A 67 0.550 2.982 -10.244 1.00 0.00 C ATOM 1104 CG ARG A 67 1.971 2.834 -10.766 1.00 0.00 C ATOM 1105 CD ARG A 67 2.078 1.691 -11.762 1.00 0.00 C ATOM 1106 NE ARG A 67 3.156 1.902 -12.727 1.00 0.00 N ATOM 1107 CZ ARG A 67 3.632 0.955 -13.539 1.00 0.00 C ATOM 1108 NH1 ARG A 67 3.135 -0.280 -13.505 1.00 0.00 N ATOM 1109 NH2 ARG A 67 4.610 1.246 -14.390 1.00 0.00 N ATOM 0 H ARG A 67 -1.630 1.972 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 67 1.306 2.072 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.121 2.390 -10.867 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.242 4.023 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.285 3.764 -11.241 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.650 2.657 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.250 0.758 -11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.132 1.584 -12.293 1.00 0.00 H new ATOM 0 HE ARG A 67 3.571 2.832 -12.783 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.384 -0.510 -12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.506 -0.996 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.995 2.190 -14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.976 0.525 -15.012 1.00 0.00 H new ATOM 1123 N THR A 68 1.220 4.344 -7.379 1.00 0.00 N ATOM 1124 CA THR A 68 1.138 5.516 -6.514 1.00 0.00 C ATOM 1125 C THR A 68 2.226 6.524 -6.866 1.00 0.00 C ATOM 1126 O THR A 68 3.382 6.158 -7.085 1.00 0.00 O ATOM 1127 CB THR A 68 1.261 5.120 -5.037 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.618 3.758 -4.899 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.013 5.342 -4.251 1.00 0.00 C ATOM 0 H THR A 68 2.170 4.011 -7.542 1.00 0.00 H new ATOM 0 HA THR A 68 0.162 5.975 -6.673 1.00 0.00 H new ATOM 0 HB THR A 68 2.039 5.768 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.222 3.503 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.142 5.042 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.283 6.397 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.817 4.747 -4.685 1.00 0.00 H new ATOM 1137 N PHE A 69 1.843 7.793 -6.914 1.00 0.00 N ATOM 1138 CA PHE A 69 2.777 8.867 -7.237 1.00 0.00 C ATOM 1139 C PHE A 69 2.220 10.217 -6.797 1.00 0.00 C ATOM 1140 O PHE A 69 2.908 10.991 -6.130 1.00 0.00 O ATOM 1141 CB PHE A 69 3.069 8.885 -8.740 1.00 0.00 C ATOM 1142 CG PHE A 69 4.272 9.710 -9.115 1.00 0.00 C ATOM 1143 CD1 PHE A 69 5.522 9.414 -8.598 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.147 10.781 -9.986 1.00 0.00 C ATOM 1145 CE1 PHE A 69 6.626 10.168 -8.944 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.249 11.540 -10.336 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.489 11.232 -9.812 1.00 0.00 C ATOM 0 H PHE A 69 0.889 8.106 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 69 3.707 8.683 -6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.220 7.862 -9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.196 9.272 -9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.635 8.584 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.178 11.026 -10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.596 9.925 -8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.140 12.371 -11.017 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.351 11.824 -10.081 1.00 0.00 H new ATOM 1157 N THR A 70 0.973 10.493 -7.180 1.00 0.00 N ATOM 1158 CA THR A 70 0.316 11.752 -6.834 1.00 0.00 C ATOM 1159 C THR A 70 -1.212 11.610 -6.927 1.00 0.00 C ATOM 1160 O THR A 70 -1.909 12.510 -7.402 1.00 0.00 O ATOM 1161 CB THR A 70 0.828 12.870 -7.759 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.178 14.100 -7.492 1.00 0.00 O ATOM 1163 CG2 THR A 70 0.651 12.560 -9.229 1.00 0.00 C ATOM 0 H THR A 70 0.396 9.858 -7.732 1.00 0.00 H new ATOM 0 HA THR A 70 0.559 12.012 -5.804 1.00 0.00 H new ATOM 0 HB THR A 70 1.894 12.944 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.788 13.951 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.033 13.389 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.200 11.652 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.407 12.415 -9.445 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.729 10.467 -6.471 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.166 10.203 -6.507 1.00 0.00 C ATOM 1173 C ASP A 71 -3.675 9.751 -5.137 1.00 0.00 C ATOM 1174 O ASP A 71 -2.898 9.262 -4.312 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.483 9.133 -7.562 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.460 9.673 -8.984 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -2.426 10.244 -9.391 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -4.475 9.514 -9.693 1.00 0.00 O ATOM 0 H ASP A 71 -1.173 9.711 -6.073 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.673 11.130 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.761 8.321 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.466 8.708 -7.357 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.996 9.910 -4.877 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.619 9.513 -3.602 1.00 0.00 C ATOM 1185 C PRO A 72 -5.385 8.036 -3.277 1.00 0.00 C ATOM 1186 O PRO A 72 -4.892 7.279 -4.117 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.115 9.782 -3.829 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.160 10.786 -4.927 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.982 10.489 -5.811 1.00 0.00 C ATOM 0 HA PRO A 72 -5.200 10.062 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.643 8.870 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.590 10.163 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.094 10.713 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.104 11.800 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.242 9.790 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.601 11.391 -6.291 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.735 7.602 -2.047 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.560 6.207 -1.610 1.00 0.00 C ATOM 1199 C PRO A 73 -6.298 5.205 -2.504 1.00 0.00 C ATOM 1200 O PRO A 73 -7.075 5.595 -3.378 1.00 0.00 O ATOM 1201 CB PRO A 73 -6.135 6.193 -0.186 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.974 7.421 -0.089 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.329 8.435 -0.989 1.00 0.00 C ATOM 0 HA PRO A 73 -4.515 5.902 -1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.729 5.296 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.340 6.200 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.999 7.219 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.018 7.783 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.057 9.140 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.574 9.020 -0.463 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.046 3.914 -2.280 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.681 2.860 -3.072 1.00 0.00 C ATOM 1213 C PHE A 74 -7.118 1.690 -2.192 1.00 0.00 C ATOM 1214 O PHE A 74 -6.389 0.707 -2.037 1.00 0.00 O ATOM 1215 CB PHE A 74 -5.730 2.363 -4.166 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.303 2.468 -5.551 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.387 1.689 -5.929 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.760 3.344 -6.476 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.917 1.784 -7.201 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -6.285 3.443 -7.751 1.00 0.00 C ATOM 1221 CZ PHE A 74 -7.366 2.663 -8.113 1.00 0.00 C ATOM 0 H PHE A 74 -5.409 3.574 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.569 3.287 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.804 2.937 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.471 1.323 -3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.822 1.000 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.916 3.957 -6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.761 1.172 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.851 4.129 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.780 2.740 -9.108 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.315 1.802 -1.626 1.00 0.00 N ATOM 1232 CA ARG A 75 -8.858 0.758 -0.767 1.00 0.00 C ATOM 1233 C ARG A 75 -10.031 0.047 -1.446 1.00 0.00 C ATOM 1234 O ARG A 75 -10.948 0.695 -1.957 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.298 1.343 0.578 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.094 2.634 0.462 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.223 3.848 0.743 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.405 4.899 -0.254 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.414 5.775 -0.239 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -11.350 5.712 0.709 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -10.491 6.712 -1.177 1.00 0.00 N ATOM 0 H ARG A 75 -8.928 2.608 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.071 0.025 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.901 0.603 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.414 1.527 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.519 2.713 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.929 2.613 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.460 4.242 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.176 3.545 0.763 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.721 4.969 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.299 4.992 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.117 6.384 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.781 6.762 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.260 7.381 -1.167 1.00 0.00 H new ATOM 1255 N ILE A 76 -9.989 -1.284 -1.450 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.041 -2.092 -2.064 1.00 0.00 C ATOM 1257 C ILE A 76 -11.438 -3.257 -1.157 1.00 0.00 C ATOM 1258 O ILE A 76 -10.586 -4.042 -0.734 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.606 -2.649 -3.439 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -9.907 -1.566 -4.272 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.810 -3.204 -4.186 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -8.399 -1.600 -4.165 1.00 0.00 C ATOM 0 H ILE A 76 -9.234 -1.828 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.898 -1.434 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.894 -3.458 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.192 -1.683 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.264 -0.587 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.491 -3.593 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.262 -4.007 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.541 -2.410 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.973 -0.807 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.105 -1.452 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.031 -2.566 -4.512 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.734 -3.358 -0.862 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.250 -4.424 -0.003 1.00 0.00 C ATOM 1276 C GLU A 77 -14.439 -5.126 -0.656 1.00 0.00 C ATOM 1277 O GLU A 77 -15.422 -4.482 -1.034 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.659 -3.862 1.363 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.525 -2.612 1.280 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.568 -1.836 2.584 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.743 -2.466 3.649 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.427 -0.595 2.539 1.00 0.00 O ATOM 0 H GLU A 77 -13.446 -2.714 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.454 -5.155 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.200 -4.631 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.760 -3.632 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.145 -1.964 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.539 -2.896 0.999 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.343 -6.451 -0.784 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.407 -7.249 -1.393 1.00 0.00 C ATOM 1291 C GLU A 78 -15.408 -8.682 -0.854 1.00 0.00 C ATOM 1292 O GLU A 78 -14.508 -9.080 -0.113 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.244 -7.262 -2.916 1.00 0.00 C ATOM 1294 CG GLU A 78 -16.169 -6.292 -3.637 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.812 -6.106 -5.105 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.210 -7.028 -5.698 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.135 -5.036 -5.660 1.00 0.00 O ATOM 0 H GLU A 78 -13.537 -6.994 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.362 -6.792 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.211 -7.018 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.431 -8.271 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.195 -6.653 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.134 -5.325 -3.135 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.431 -9.448 -1.239 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.566 -10.840 -0.806 1.00 0.00 C ATOM 1306 C GLN A 79 -16.553 -11.796 -2.002 1.00 0.00 C ATOM 1307 O GLN A 79 -16.426 -11.368 -3.152 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.857 -11.025 0.005 1.00 0.00 C ATOM 1309 CG GLN A 79 -19.128 -10.727 -0.779 1.00 0.00 C ATOM 1310 CD GLN A 79 -20.379 -11.257 -0.096 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.339 -11.680 1.060 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -21.500 -11.239 -0.809 1.00 0.00 N ATOM 0 H GLN A 79 -17.180 -9.126 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.712 -11.078 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.900 -12.051 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.821 -10.375 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.222 -9.649 -0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -19.048 -11.167 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -21.491 -10.880 -1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -22.369 -11.584 -0.402 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.679 -13.093 -1.715 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.675 -14.105 -2.760 1.00 0.00 C ATOM 1323 C GLY A 80 -15.278 -14.617 -3.063 1.00 0.00 C ATOM 1324 O GLY A 80 -14.388 -14.546 -2.215 1.00 0.00 O ATOM 0 H GLY A 80 -16.784 -13.461 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.307 -14.939 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.111 -13.688 -3.668 1.00 0.00 H new ATOM 1328 N TRP A 81 -15.081 -15.142 -4.273 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.776 -15.667 -4.669 1.00 0.00 C ATOM 1330 C TRP A 81 -12.750 -14.540 -4.833 1.00 0.00 C ATOM 1331 O TRP A 81 -13.012 -13.536 -5.498 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.889 -16.496 -5.960 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.162 -15.697 -7.208 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.915 -14.558 -7.319 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.688 -15.988 -8.529 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -14.930 -14.126 -8.622 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.185 -14.987 -9.384 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.886 -16.999 -9.069 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.909 -14.971 -10.750 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.614 -16.981 -10.425 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -13.123 -15.972 -11.251 1.00 0.00 C ATOM 0 H TRP A 81 -15.803 -15.214 -4.990 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.425 -16.323 -3.872 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.962 -17.053 -6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.686 -17.229 -5.835 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.423 -14.071 -6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.417 -13.299 -8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.486 -17.779 -8.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.302 -14.195 -11.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.999 -17.758 -10.854 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.890 -15.984 -12.306 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.583 -14.711 -4.216 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.541 -13.702 -4.305 1.00 0.00 C ATOM 1354 C GLY A 82 -9.443 -13.902 -3.278 1.00 0.00 C ATOM 1355 O GLY A 82 -9.566 -13.454 -2.137 1.00 0.00 O ATOM 0 H GLY A 82 -11.341 -15.529 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.106 -13.722 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.984 -12.715 -4.170 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.364 -14.577 -3.684 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.257 -14.821 -2.778 1.00 0.00 C ATOM 1361 C GLY A 83 -5.952 -15.106 -3.502 1.00 0.00 C ATOM 1362 O GLY A 83 -5.793 -16.168 -4.104 1.00 0.00 O ATOM 0 H GLY A 83 -8.241 -14.957 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.126 -13.954 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.501 -15.665 -2.133 1.00 0.00 H new ATOM 1366 N PHE A 84 -5.017 -14.153 -3.441 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.714 -14.297 -4.092 1.00 0.00 C ATOM 1368 C PHE A 84 -2.647 -13.454 -3.384 1.00 0.00 C ATOM 1369 O PHE A 84 -2.969 -12.577 -2.581 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.813 -13.894 -5.568 1.00 0.00 C ATOM 1371 CG PHE A 84 -4.357 -14.978 -6.461 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.631 -16.139 -6.694 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.596 -14.836 -7.067 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -4.132 -17.132 -7.512 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -6.100 -15.827 -7.888 1.00 0.00 C ATOM 1376 CZ PHE A 84 -5.367 -16.976 -8.110 1.00 0.00 C ATOM 0 H PHE A 84 -5.141 -13.270 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.417 -15.344 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.450 -13.014 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.823 -13.607 -5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.664 -16.266 -6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.174 -13.940 -6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.558 -18.031 -7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.066 -15.703 -8.355 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.759 -17.752 -8.751 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.352 -13.724 -3.668 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.218 -13.007 -3.056 1.00 0.00 C ATOM 1388 C PRO A 85 -0.284 -11.483 -3.217 1.00 0.00 C ATOM 1389 O PRO A 85 -1.095 -10.956 -3.979 1.00 0.00 O ATOM 1390 CB PRO A 85 1.011 -13.562 -3.794 1.00 0.00 C ATOM 1391 CG PRO A 85 0.475 -14.280 -4.986 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.888 -14.766 -4.596 1.00 0.00 C ATOM 0 HA PRO A 85 -0.204 -13.165 -1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.685 -12.759 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.581 -14.236 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.421 -13.617 -5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.122 -15.112 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.546 -14.861 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.847 -15.745 -4.118 1.00 0.00 H new ATOM 1400 N LEU A 86 0.589 -10.792 -2.483 1.00 0.00 N ATOM 1401 CA LEU A 86 0.669 -9.333 -2.509 1.00 0.00 C ATOM 1402 C LEU A 86 2.127 -8.877 -2.621 1.00 0.00 C ATOM 1403 O LEU A 86 3.042 -9.607 -2.233 1.00 0.00 O ATOM 1404 CB LEU A 86 0.046 -8.749 -1.235 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.446 -8.417 -1.316 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.284 -9.685 -1.260 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.843 -7.468 -0.194 1.00 0.00 C ATOM 0 H LEU A 86 1.261 -11.230 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 86 0.118 -8.974 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.198 -9.458 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.588 -7.840 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.634 -7.924 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.341 -9.425 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.022 -10.332 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.091 -10.208 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.907 -7.243 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.637 -7.936 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.270 -6.545 -0.279 1.00 0.00 H new ATOM 1419 N ASP A 87 2.334 -7.669 -3.144 1.00 0.00 N ATOM 1420 CA ASP A 87 3.677 -7.117 -3.299 1.00 0.00 C ATOM 1421 C ASP A 87 3.633 -5.593 -3.396 1.00 0.00 C ATOM 1422 O ASP A 87 2.995 -5.040 -4.289 1.00 0.00 O ATOM 1423 CB ASP A 87 4.354 -7.695 -4.545 1.00 0.00 C ATOM 1424 CG ASP A 87 5.796 -7.238 -4.678 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.630 -7.652 -3.845 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.089 -6.462 -5.611 1.00 0.00 O ATOM 0 H ASP A 87 1.587 -7.054 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 87 4.256 -7.394 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.322 -8.784 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.796 -7.395 -5.432 1.00 0.00 H new ATOM 1431 N ILE A 88 4.316 -4.922 -2.472 1.00 0.00 N ATOM 1432 CA ILE A 88 4.352 -3.462 -2.456 1.00 0.00 C ATOM 1433 C ILE A 88 5.790 -2.954 -2.470 1.00 0.00 C ATOM 1434 O ILE A 88 6.599 -3.346 -1.631 1.00 0.00 O ATOM 1435 CB ILE A 88 3.627 -2.891 -1.217 1.00 0.00 C ATOM 1436 CG1 ILE A 88 2.271 -3.577 -1.020 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.452 -1.384 -1.348 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.244 -4.542 0.147 1.00 0.00 C ATOM 0 H ILE A 88 4.851 -5.365 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 88 3.836 -3.121 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 88 4.241 -3.090 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.506 -2.815 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.009 -4.115 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.940 -0.999 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.430 -0.910 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.861 -1.162 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.253 -4.990 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.985 -5.326 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.474 -4.006 1.068 1.00 0.00 H new ATOM 1450 N SER A 89 6.106 -2.077 -3.425 1.00 0.00 N ATOM 1451 CA SER A 89 7.450 -1.520 -3.533 1.00 0.00 C ATOM 1452 C SER A 89 7.405 0.004 -3.591 1.00 0.00 C ATOM 1453 O SER A 89 6.868 0.588 -4.535 1.00 0.00 O ATOM 1454 CB SER A 89 8.165 -2.075 -4.766 1.00 0.00 C ATOM 1455 OG SER A 89 7.414 -1.845 -5.944 1.00 0.00 O ATOM 0 H SER A 89 5.451 -1.740 -4.130 1.00 0.00 H new ATOM 0 HA SER A 89 8.008 -1.813 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.146 -1.609 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.331 -3.145 -4.641 1.00 0.00 H new ATOM 0 HG SER A 89 7.896 -2.209 -6.716 1.00 0.00 H new ATOM 1461 N VAL A 90 7.969 0.638 -2.569 1.00 0.00 N ATOM 1462 CA VAL A 90 7.996 2.092 -2.485 1.00 0.00 C ATOM 1463 C VAL A 90 9.384 2.634 -2.821 1.00 0.00 C ATOM 1464 O VAL A 90 10.393 2.072 -2.398 1.00 0.00 O ATOM 1465 CB VAL A 90 7.591 2.574 -1.076 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.463 4.090 -1.033 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.291 1.912 -0.637 1.00 0.00 C ATOM 0 H VAL A 90 8.416 0.164 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 90 7.278 2.471 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 90 8.378 2.283 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.177 4.403 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.419 4.543 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.702 4.411 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.022 2.264 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.497 2.167 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.423 0.830 -0.616 1.00 0.00 H new ATOM 1477 N PHE A 91 9.422 3.731 -3.578 1.00 0.00 N ATOM 1478 CA PHE A 91 10.683 4.362 -3.964 1.00 0.00 C ATOM 1479 C PHE A 91 10.630 5.864 -3.701 1.00 0.00 C ATOM 1480 O PHE A 91 9.552 6.463 -3.691 1.00 0.00 O ATOM 1481 CB PHE A 91 10.994 4.097 -5.438 1.00 0.00 C ATOM 1482 CG PHE A 91 11.684 2.787 -5.685 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.970 2.564 -5.215 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.047 1.776 -6.387 1.00 0.00 C ATOM 1485 CE1 PHE A 91 13.607 1.358 -5.442 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.679 0.568 -6.615 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.960 0.359 -6.143 1.00 0.00 C ATOM 0 H PHE A 91 8.591 4.202 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 91 11.479 3.927 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.064 4.120 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.620 4.904 -5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 13.480 3.342 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 91 10.046 1.934 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 91 14.609 1.197 -5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 91 11.171 -0.212 -7.162 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.455 -0.584 -6.322 1.00 0.00 H new ATOM 1497 N LEU A 92 11.800 6.465 -3.482 1.00 0.00 N ATOM 1498 CA LEU A 92 11.894 7.899 -3.209 1.00 0.00 C ATOM 1499 C LEU A 92 13.207 8.477 -3.750 1.00 0.00 C ATOM 1500 O LEU A 92 13.889 7.834 -4.550 1.00 0.00 O ATOM 1501 CB LEU A 92 11.777 8.152 -1.697 1.00 0.00 C ATOM 1502 CG LEU A 92 12.272 7.010 -0.805 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.941 7.558 0.444 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.118 6.089 -0.439 1.00 0.00 C ATOM 0 H LEU A 92 12.697 5.980 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 92 11.072 8.403 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.338 9.053 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.732 8.352 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 92 13.012 6.432 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.286 6.731 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.792 8.177 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.226 8.160 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.484 5.282 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.357 6.655 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.685 5.669 -1.347 1.00 0.00 H new ATOM 1516 N LEU A 93 13.548 9.695 -3.315 1.00 0.00 N ATOM 1517 CA LEU A 93 14.772 10.361 -3.760 1.00 0.00 C ATOM 1518 C LEU A 93 16.007 9.505 -3.476 1.00 0.00 C ATOM 1519 O LEU A 93 16.712 9.109 -4.405 1.00 0.00 O ATOM 1520 CB LEU A 93 14.916 11.730 -3.082 1.00 0.00 C ATOM 1521 CG LEU A 93 14.232 12.892 -3.812 1.00 0.00 C ATOM 1522 CD1 LEU A 93 12.719 12.817 -3.645 1.00 0.00 C ATOM 1523 CD2 LEU A 93 14.761 14.230 -3.310 1.00 0.00 C ATOM 0 H LEU A 93 12.992 10.238 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 93 14.697 10.503 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.507 11.664 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.977 11.959 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 93 14.464 12.810 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.253 13.651 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.353 11.877 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.467 12.869 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.262 15.041 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.565 14.321 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.835 14.286 -3.488 1.00 0.00 H new ATOM 1535 N GLU A 94 16.265 9.225 -2.193 1.00 0.00 N ATOM 1536 CA GLU A 94 17.421 8.417 -1.796 1.00 0.00 C ATOM 1537 C GLU A 94 17.485 8.276 -0.276 1.00 0.00 C ATOM 1538 O GLU A 94 18.525 8.520 0.342 1.00 0.00 O ATOM 1539 CB GLU A 94 18.719 9.045 -2.320 1.00 0.00 C ATOM 1540 CG GLU A 94 19.782 8.026 -2.701 1.00 0.00 C ATOM 1541 CD GLU A 94 19.613 7.507 -4.117 1.00 0.00 C ATOM 1542 OE1 GLU A 94 19.681 8.322 -5.063 1.00 0.00 O ATOM 1543 OE2 GLU A 94 19.413 6.285 -4.281 1.00 0.00 O ATOM 0 H GLU A 94 15.689 9.546 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 94 17.308 7.425 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.489 9.659 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.123 9.711 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.768 8.480 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.744 7.189 -2.004 1.00 0.00 H new ATOM 1550 N LYS A 95 16.363 7.885 0.324 1.00 0.00 N ATOM 1551 CA LYS A 95 16.283 7.716 1.769 1.00 0.00 C ATOM 1552 C LYS A 95 16.112 6.236 2.128 1.00 0.00 C ATOM 1553 O LYS A 95 16.525 5.358 1.370 1.00 0.00 O ATOM 1554 CB LYS A 95 15.130 8.561 2.332 1.00 0.00 C ATOM 1555 CG LYS A 95 15.459 9.257 3.647 1.00 0.00 C ATOM 1556 CD LYS A 95 16.560 10.294 3.476 1.00 0.00 C ATOM 1557 CE LYS A 95 16.038 11.577 2.848 1.00 0.00 C ATOM 1558 NZ LYS A 95 17.111 12.335 2.141 1.00 0.00 N ATOM 0 H LYS A 95 15.496 7.679 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 95 17.213 8.062 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.850 9.313 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.261 7.920 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.563 9.739 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.769 8.516 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.001 10.519 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.354 9.882 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.241 11.337 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.600 12.207 3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.915 13.354 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.030 12.130 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.137 12.049 1.141 1.00 0.00 H new ATOM 1572 N ALA A 96 15.512 5.966 3.288 1.00 0.00 N ATOM 1573 CA ALA A 96 15.298 4.590 3.747 1.00 0.00 C ATOM 1574 C ALA A 96 13.879 4.094 3.451 1.00 0.00 C ATOM 1575 O ALA A 96 13.614 2.892 3.529 1.00 0.00 O ATOM 1576 CB ALA A 96 15.581 4.484 5.237 1.00 0.00 C ATOM 0 H ALA A 96 15.165 6.681 3.928 1.00 0.00 H new ATOM 0 HA ALA A 96 15.991 3.955 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.419 3.458 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.615 4.768 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.913 5.150 5.783 1.00 0.00 H new ATOM 1582 N GLY A 97 12.969 5.014 3.114 1.00 0.00 N ATOM 1583 CA GLY A 97 11.597 4.636 2.815 1.00 0.00 C ATOM 1584 C GLY A 97 11.490 3.701 1.620 1.00 0.00 C ATOM 1585 O GLY A 97 10.504 2.973 1.493 1.00 0.00 O ATOM 0 H GLY A 97 13.161 6.013 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.159 4.153 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.011 5.535 2.621 1.00 0.00 H new ATOM 1589 N GLU A 98 12.505 3.718 0.746 1.00 0.00 N ATOM 1590 CA GLU A 98 12.524 2.860 -0.435 1.00 0.00 C ATOM 1591 C GLU A 98 12.675 1.391 -0.025 1.00 0.00 C ATOM 1592 O GLU A 98 13.783 0.854 0.021 1.00 0.00 O ATOM 1593 CB GLU A 98 13.654 3.274 -1.392 1.00 0.00 C ATOM 1594 CG GLU A 98 15.037 3.312 -0.747 1.00 0.00 C ATOM 1595 CD GLU A 98 15.975 4.317 -1.396 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.583 5.498 -1.541 1.00 0.00 O ATOM 1597 OE2 GLU A 98 17.107 3.925 -1.752 1.00 0.00 O ATOM 0 H GLU A 98 13.323 4.320 0.839 1.00 0.00 H new ATOM 0 HA GLU A 98 11.576 2.977 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.676 2.580 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.428 4.260 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.931 3.555 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.484 2.319 -0.803 1.00 0.00 H new ATOM 1604 N ARG A 99 11.549 0.757 0.292 1.00 0.00 N ATOM 1605 CA ARG A 99 11.550 -0.639 0.721 1.00 0.00 C ATOM 1606 C ARG A 99 10.345 -1.399 0.174 1.00 0.00 C ATOM 1607 O ARG A 99 9.314 -0.802 -0.154 1.00 0.00 O ATOM 1608 CB ARG A 99 11.559 -0.720 2.249 1.00 0.00 C ATOM 1609 CG ARG A 99 12.946 -0.597 2.859 1.00 0.00 C ATOM 1610 CD ARG A 99 13.262 -1.776 3.766 1.00 0.00 C ATOM 1611 NE ARG A 99 14.697 -2.052 3.831 1.00 0.00 N ATOM 1612 CZ ARG A 99 15.262 -2.860 4.733 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.520 -3.481 5.647 1.00 0.00 N ATOM 1614 NH2 ARG A 99 16.577 -3.050 4.716 1.00 0.00 N ATOM 0 H ARG A 99 10.625 1.187 0.260 1.00 0.00 H new ATOM 0 HA ARG A 99 12.452 -1.104 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.924 0.070 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.119 -1.669 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.690 -0.538 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.013 0.330 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.887 -1.572 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.739 -2.661 3.404 1.00 0.00 H new ATOM 0 HE ARG A 99 15.303 -1.600 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.510 -3.342 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.962 -4.096 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.151 -2.580 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.012 -3.666 5.403 1.00 0.00 H new ATOM 1628 N LYS A 100 10.484 -2.723 0.087 1.00 0.00 N ATOM 1629 CA LYS A 100 9.414 -3.586 -0.406 1.00 0.00 C ATOM 1630 C LYS A 100 8.719 -4.301 0.755 1.00 0.00 C ATOM 1631 O LYS A 100 9.324 -4.525 1.805 1.00 0.00 O ATOM 1632 CB LYS A 100 9.969 -4.617 -1.393 1.00 0.00 C ATOM 1633 CG LYS A 100 9.818 -4.209 -2.850 1.00 0.00 C ATOM 1634 CD LYS A 100 9.525 -5.409 -3.739 1.00 0.00 C ATOM 1635 CE LYS A 100 10.732 -5.784 -4.589 1.00 0.00 C ATOM 1636 NZ LYS A 100 10.844 -4.936 -5.809 1.00 0.00 N ATOM 0 H LYS A 100 11.333 -3.221 0.354 1.00 0.00 H new ATOM 0 HA LYS A 100 8.684 -2.960 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.025 -4.781 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.460 -5.568 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.012 -3.481 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.731 -3.719 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.236 -6.259 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.678 -5.184 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.639 -5.683 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.657 -6.831 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.679 -5.226 -6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.990 -5.051 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.942 -3.939 -5.531 1.00 0.00 H new ATOM 1650 N ILE A 101 7.451 -4.654 0.555 1.00 0.00 N ATOM 1651 CA ILE A 101 6.669 -5.342 1.579 1.00 0.00 C ATOM 1652 C ILE A 101 5.835 -6.470 0.967 1.00 0.00 C ATOM 1653 O ILE A 101 4.769 -6.226 0.400 1.00 0.00 O ATOM 1654 CB ILE A 101 5.730 -4.362 2.320 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.494 -3.103 2.748 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.095 -5.040 3.528 1.00 0.00 C ATOM 1657 CD1 ILE A 101 5.598 -1.986 3.240 1.00 0.00 C ATOM 0 H ILE A 101 6.942 -4.474 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 101 7.377 -5.764 2.292 1.00 0.00 H new ATOM 0 HB ILE A 101 4.935 -4.065 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.198 -3.367 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.082 -2.741 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.438 -4.335 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.516 -5.903 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.876 -5.368 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.208 -1.129 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.911 -1.694 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.029 -2.330 4.104 1.00 0.00 H new ATOM 1669 N PRO A 102 6.313 -7.725 1.077 1.00 0.00 N ATOM 1670 CA PRO A 102 5.612 -8.893 0.537 1.00 0.00 C ATOM 1671 C PRO A 102 4.481 -9.366 1.456 1.00 0.00 C ATOM 1672 O PRO A 102 4.679 -9.525 2.662 1.00 0.00 O ATOM 1673 CB PRO A 102 6.716 -9.944 0.459 1.00 0.00 C ATOM 1674 CG PRO A 102 7.640 -9.600 1.579 1.00 0.00 C ATOM 1675 CD PRO A 102 7.585 -8.101 1.733 1.00 0.00 C ATOM 0 HA PRO A 102 5.129 -8.685 -0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.314 -10.951 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.228 -9.911 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.335 -10.096 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.655 -9.931 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.596 -7.806 2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.439 -7.618 1.257 1.00 0.00 H new ATOM 1683 N HIS A 103 3.296 -9.580 0.879 1.00 0.00 N ATOM 1684 CA HIS A 103 2.133 -10.026 1.648 1.00 0.00 C ATOM 1685 C HIS A 103 1.420 -11.191 0.964 1.00 0.00 C ATOM 1686 O HIS A 103 1.681 -11.492 -0.200 1.00 0.00 O ATOM 1687 CB HIS A 103 1.153 -8.866 1.838 1.00 0.00 C ATOM 1688 CG HIS A 103 1.454 -8.017 3.031 1.00 0.00 C ATOM 1689 ND1 HIS A 103 0.516 -7.707 3.988 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.601 -7.413 3.421 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.072 -6.949 4.916 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.338 -6.757 4.595 1.00 0.00 N ATOM 0 H HIS A 103 3.117 -9.452 -0.117 1.00 0.00 H new ATOM 0 HA HIS A 103 2.491 -10.369 2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.166 -8.241 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.144 -9.266 1.933 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -0.457 -8.014 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.548 -7.443 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.575 -6.553 5.789 1.00 0.00 H new ATOM 1701 N ASP A 104 0.513 -11.839 1.697 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.254 -12.962 1.164 1.00 0.00 C ATOM 1703 C ASP A 104 -1.730 -12.828 1.533 1.00 0.00 C ATOM 1704 O ASP A 104 -2.063 -12.513 2.675 1.00 0.00 O ATOM 1705 CB ASP A 104 0.309 -14.290 1.681 1.00 0.00 C ATOM 1706 CG ASP A 104 0.351 -15.371 0.613 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.675 -15.051 -0.552 1.00 0.00 O ATOM 1708 OD2 ASP A 104 0.059 -16.539 0.943 1.00 0.00 O ATOM 0 H ASP A 104 0.292 -11.603 2.664 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.169 -12.950 0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.316 -14.127 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.299 -14.636 2.517 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.614 -13.066 0.563 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.054 -12.965 0.800 1.00 0.00 C ATOM 1715 C LEU A 105 -4.775 -14.252 0.398 1.00 0.00 C ATOM 1716 O LEU A 105 -5.299 -14.358 -0.710 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.635 -11.778 0.029 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.123 -11.509 0.278 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.305 -10.538 1.433 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.787 -10.979 -0.984 1.00 0.00 C ATOM 0 H LEU A 105 -2.360 -13.329 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.207 -12.810 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.071 -10.883 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.486 -11.949 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.604 -12.450 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.368 -10.360 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.867 -10.961 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.811 -9.596 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.843 -10.794 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.305 -10.049 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.689 -11.714 -1.783 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.808 -15.223 1.310 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.485 -16.500 1.050 1.00 0.00 C ATOM 1734 C ASN A 106 -5.624 -17.325 2.331 1.00 0.00 C ATOM 1735 O ASN A 106 -5.489 -18.551 2.310 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.727 -17.298 -0.021 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.548 -18.446 -0.584 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.115 -19.596 -0.570 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -6.742 -18.140 -1.085 1.00 0.00 N ATOM 0 H ASN A 106 -4.377 -15.154 2.232 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.487 -16.280 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.440 -16.629 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.806 -17.691 0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.334 -18.873 -1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.065 -17.173 -1.078 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.900 -16.649 3.450 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.053 -17.328 4.733 1.00 0.00 C ATOM 1748 C PHE A 107 -7.191 -16.727 5.553 1.00 0.00 C ATOM 1749 O PHE A 107 -7.305 -15.504 5.674 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.749 -17.252 5.530 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.568 -17.857 4.818 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.574 -19.191 4.444 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.455 -17.087 4.521 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.494 -19.745 3.787 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.372 -17.637 3.862 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.391 -18.967 3.496 1.00 0.00 C ATOM 0 H PHE A 107 -6.021 -15.637 3.490 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.295 -18.371 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.531 -16.208 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.886 -17.761 6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.434 -19.805 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.434 -16.046 4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.512 -20.786 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.511 -17.026 3.634 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.545 -19.399 2.983 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.029 -17.598 6.117 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.160 -17.170 6.936 1.00 0.00 C ATOM 1768 C LEU A 108 -8.680 -16.387 8.160 1.00 0.00 C ATOM 1769 O LEU A 108 -7.782 -16.832 8.878 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.993 -18.385 7.377 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.237 -19.446 8.189 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.086 -19.935 9.354 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -8.828 -20.614 7.299 1.00 0.00 C ATOM 0 H LEU A 108 -7.943 -18.610 6.020 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.787 -16.514 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.835 -18.030 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.408 -18.861 6.488 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.333 -18.988 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.533 -20.686 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.326 -19.096 10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.008 -20.373 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.294 -21.355 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.718 -21.070 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.180 -20.253 6.501 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.287 -15.220 8.385 1.00 0.00 N ATOM 1786 CA GLN A 109 -8.933 -14.363 9.516 1.00 0.00 C ATOM 1787 C GLN A 109 -7.517 -13.803 9.356 1.00 0.00 C ATOM 1788 O GLN A 109 -6.636 -14.051 10.185 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.065 -15.135 10.834 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.514 -14.275 12.005 1.00 0.00 C ATOM 1791 CD GLN A 109 -9.858 -15.096 13.234 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -9.177 -16.070 13.554 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -10.920 -14.708 13.932 1.00 0.00 N ATOM 0 H GLN A 109 -10.030 -14.846 7.795 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.626 -13.522 9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.778 -15.949 10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.104 -15.590 11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.724 -13.567 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.384 -13.690 11.708 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.458 -13.895 13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.197 -15.223 14.767 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.309 -13.035 8.284 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.010 -12.429 8.012 1.00 0.00 C ATOM 1804 C GLU A 110 -5.968 -10.996 8.521 1.00 0.00 C ATOM 1805 O GLU A 110 -6.916 -10.230 8.331 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.700 -12.443 6.512 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.332 -11.860 6.161 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.248 -12.912 5.956 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.539 -14.121 6.086 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.099 -12.520 5.668 1.00 0.00 O ATOM 0 H GLU A 110 -8.026 -12.820 7.591 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.257 -13.019 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.751 -13.470 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.471 -11.880 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.424 -11.265 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.022 -11.182 6.956 1.00 0.00 H new ATOM 1817 N SER A 111 -4.853 -10.645 9.153 1.00 0.00 N ATOM 1818 CA SER A 111 -4.643 -9.306 9.689 1.00 0.00 C ATOM 1819 C SER A 111 -3.193 -8.884 9.461 1.00 0.00 C ATOM 1820 O SER A 111 -2.398 -8.797 10.400 1.00 0.00 O ATOM 1821 CB SER A 111 -4.992 -9.265 11.181 1.00 0.00 C ATOM 1822 OG SER A 111 -5.382 -7.960 11.581 1.00 0.00 O ATOM 0 H SER A 111 -4.070 -11.281 9.308 1.00 0.00 H new ATOM 0 HA SER A 111 -5.299 -8.607 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.799 -9.968 11.388 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.131 -9.586 11.768 1.00 0.00 H new ATOM 0 HG SER A 111 -5.601 -7.962 12.536 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.859 -8.632 8.198 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.514 -8.231 7.822 1.00 0.00 C ATOM 1830 C TYR A 112 -1.517 -6.801 7.312 1.00 0.00 C ATOM 1831 O TYR A 112 -2.186 -6.481 6.330 1.00 0.00 O ATOM 1832 CB TYR A 112 -0.960 -9.178 6.755 1.00 0.00 C ATOM 1833 CG TYR A 112 0.156 -10.067 7.254 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.060 -10.980 8.281 1.00 0.00 C ATOM 1835 CD2 TYR A 112 1.425 -9.996 6.696 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.960 -11.792 8.740 1.00 0.00 C ATOM 1837 CE2 TYR A 112 2.449 -10.806 7.147 1.00 0.00 C ATOM 1838 CZ TYR A 112 2.211 -11.702 8.167 1.00 0.00 C ATOM 1839 OH TYR A 112 3.231 -12.510 8.618 1.00 0.00 O ATOM 0 H TYR A 112 -3.510 -8.700 7.415 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.872 -8.285 8.701 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.771 -9.803 6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.595 -8.589 5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.041 -11.056 8.727 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.615 -9.296 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.778 -12.492 9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.431 -10.738 6.703 1.00 0.00 H new ATOM 0 HH TYR A 112 4.047 -12.322 8.108 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.775 -5.941 7.997 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.703 -4.533 7.628 1.00 0.00 C ATOM 1851 C GLU A 113 0.633 -3.914 8.041 1.00 0.00 C ATOM 1852 O GLU A 113 1.283 -4.383 8.979 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.873 -3.778 8.267 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.680 -3.468 9.746 1.00 0.00 C ATOM 1855 CD GLU A 113 -1.731 -4.712 10.613 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -2.835 -5.277 10.777 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -0.669 -5.130 11.119 1.00 0.00 O ATOM 0 H GLU A 113 -0.215 -6.193 8.811 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.773 -4.454 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.026 -2.843 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.782 -4.368 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.721 -2.970 9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.452 -2.771 10.071 1.00 0.00 H new ATOM 1864 N VAL A 114 1.035 -2.860 7.332 1.00 0.00 N ATOM 1865 CA VAL A 114 2.296 -2.173 7.613 1.00 0.00 C ATOM 1866 C VAL A 114 2.165 -0.663 7.433 1.00 0.00 C ATOM 1867 O VAL A 114 1.351 -0.189 6.636 1.00 0.00 O ATOM 1868 CB VAL A 114 3.438 -2.672 6.702 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.790 -2.193 7.215 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.414 -4.187 6.585 1.00 0.00 C ATOM 0 H VAL A 114 0.505 -2.462 6.557 1.00 0.00 H new ATOM 0 HA VAL A 114 2.536 -2.400 8.652 1.00 0.00 H new ATOM 0 HB VAL A 114 3.284 -2.252 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.579 -2.557 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.807 -1.103 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.953 -2.575 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.228 -4.515 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.535 -4.630 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.462 -4.504 6.159 1.00 0.00 H new ATOM 1880 N GLU A 115 2.986 0.086 8.170 1.00 0.00 N ATOM 1881 CA GLU A 115 2.985 1.542 8.090 1.00 0.00 C ATOM 1882 C GLU A 115 4.413 2.078 8.009 1.00 0.00 C ATOM 1883 O GLU A 115 5.164 2.025 8.986 1.00 0.00 O ATOM 1884 CB GLU A 115 2.262 2.141 9.299 1.00 0.00 C ATOM 1885 CG GLU A 115 0.775 1.817 9.335 1.00 0.00 C ATOM 1886 CD GLU A 115 0.134 2.069 10.689 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.826 1.918 11.719 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -1.067 2.415 10.718 1.00 0.00 O ATOM 0 H GLU A 115 3.662 -0.296 8.831 1.00 0.00 H new ATOM 0 HA GLU A 115 2.455 1.835 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.729 1.772 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.390 3.223 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.262 2.415 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.632 0.771 9.063 1.00 0.00 H new ATOM 1895 N HIS A 116 4.780 2.590 6.835 1.00 0.00 N ATOM 1896 CA HIS A 116 6.119 3.136 6.615 1.00 0.00 C ATOM 1897 C HIS A 116 6.062 4.646 6.389 1.00 0.00 C ATOM 1898 O HIS A 116 5.089 5.163 5.838 1.00 0.00 O ATOM 1899 CB HIS A 116 6.776 2.460 5.409 1.00 0.00 C ATOM 1900 CG HIS A 116 7.744 1.378 5.776 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.886 0.220 5.041 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.627 1.280 6.800 1.00 0.00 C ATOM 1903 CE1 HIS A 116 8.811 -0.540 5.595 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.277 0.079 6.664 1.00 0.00 N ATOM 0 H HIS A 116 4.168 2.638 6.020 1.00 0.00 H new ATOM 0 HA HIS A 116 6.714 2.939 7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.998 2.038 4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.296 3.215 4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.789 2.011 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.133 -1.506 5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 116 10.002 -0.277 7.287 1.00 0.00 H new ATOM 1913 N VAL A 117 7.110 5.349 6.820 1.00 0.00 N ATOM 1914 CA VAL A 117 7.181 6.803 6.669 1.00 0.00 C ATOM 1915 C VAL A 117 8.358 7.210 5.784 1.00 0.00 C ATOM 1916 O VAL A 117 9.439 6.623 5.865 1.00 0.00 O ATOM 1917 CB VAL A 117 7.313 7.503 8.040 1.00 0.00 C ATOM 1918 CG1 VAL A 117 7.190 9.013 7.892 1.00 0.00 C ATOM 1919 CG2 VAL A 117 6.270 6.972 9.012 1.00 0.00 C ATOM 0 H VAL A 117 7.922 4.935 7.277 1.00 0.00 H new ATOM 0 HA VAL A 117 6.251 7.119 6.195 1.00 0.00 H new ATOM 0 HB VAL A 117 8.302 7.283 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.286 9.484 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.978 9.379 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.218 9.259 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.378 7.476 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.273 7.159 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.411 5.900 9.147 1.00 0.00 H new ATOM 1929 N ILE A 118 8.136 8.217 4.938 1.00 0.00 N ATOM 1930 CA ILE A 118 9.176 8.707 4.034 1.00 0.00 C ATOM 1931 C ILE A 118 9.405 10.208 4.219 1.00 0.00 C ATOM 1932 O ILE A 118 8.502 11.013 3.989 1.00 0.00 O ATOM 1933 CB ILE A 118 8.819 8.433 2.556 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.421 6.966 2.358 1.00 0.00 C ATOM 1935 CG2 ILE A 118 9.987 8.796 1.651 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.102 6.787 1.638 1.00 0.00 C ATOM 0 H ILE A 118 7.246 8.709 4.860 1.00 0.00 H new ATOM 0 HA ILE A 118 10.089 8.167 4.285 1.00 0.00 H new ATOM 0 HB ILE A 118 7.967 9.057 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.204 6.459 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.363 6.480 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.719 8.597 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.223 9.854 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.857 8.198 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.886 5.724 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.307 7.265 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.162 7.243 0.650 1.00 0.00 H new ATOM 1948 N GLN A 119 10.618 10.574 4.628 1.00 0.00 N ATOM 1949 CA GLN A 119 10.966 11.975 4.839 1.00 0.00 C ATOM 1950 C GLN A 119 12.239 12.342 4.084 1.00 0.00 C ATOM 1951 O GLN A 119 13.317 11.816 4.374 1.00 0.00 O ATOM 1952 CB GLN A 119 11.145 12.262 6.333 1.00 0.00 C ATOM 1953 CG GLN A 119 10.015 13.081 6.934 1.00 0.00 C ATOM 1954 CD GLN A 119 10.507 14.105 7.941 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.688 13.795 9.117 1.00 0.00 O ATOM 1956 NE2 GLN A 119 10.729 15.331 7.482 1.00 0.00 N ATOM 0 H GLN A 119 11.376 9.919 4.820 1.00 0.00 H new ATOM 0 HA GLN A 119 10.149 12.585 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.222 11.316 6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.086 12.791 6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.477 13.592 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.305 12.412 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.565 15.545 6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.063 16.059 8.113 1.00 0.00 H new ATOM 1965 N ILE A 120 12.109 13.254 3.118 1.00 0.00 N ATOM 1966 CA ILE A 120 13.250 13.703 2.323 1.00 0.00 C ATOM 1967 C ILE A 120 13.346 15.236 2.304 1.00 0.00 C ATOM 1968 O ILE A 120 13.406 15.852 1.238 1.00 0.00 O ATOM 1969 CB ILE A 120 13.173 13.172 0.870 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.839 11.677 0.857 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.480 13.433 0.135 1.00 0.00 C ATOM 1972 CD1 ILE A 120 11.511 11.364 0.210 1.00 0.00 C ATOM 0 H ILE A 120 11.224 13.695 2.869 1.00 0.00 H new ATOM 0 HA ILE A 120 14.144 13.298 2.796 1.00 0.00 H new ATOM 0 HB ILE A 120 12.375 13.706 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 120 13.627 11.141 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.832 11.305 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.407 13.053 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.675 14.505 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 120 15.296 12.928 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.339 10.288 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.713 11.872 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.521 11.705 -0.825 1.00 0.00 H new ATOM 1984 N PRO A 121 13.361 15.874 3.490 1.00 0.00 N ATOM 1985 CA PRO A 121 13.452 17.334 3.605 1.00 0.00 C ATOM 1986 C PRO A 121 14.890 17.839 3.454 1.00 0.00 C ATOM 1987 O PRO A 121 15.781 17.087 3.054 1.00 0.00 O ATOM 1988 CB PRO A 121 12.945 17.584 5.024 1.00 0.00 C ATOM 1989 CG PRO A 121 13.374 16.378 5.783 1.00 0.00 C ATOM 1990 CD PRO A 121 13.289 15.226 4.818 1.00 0.00 C ATOM 0 HA PRO A 121 12.889 17.852 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.374 18.493 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.862 17.703 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.390 16.496 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.730 16.211 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.107 14.520 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.361 14.668 4.941 1.00 0.00 H new