USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 686 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 44 LYS NZ :NH3+ -153:sc= 0.0416 (180deg=0) USER MOD Set 1.2: A 77 TYR OH : rot -31:sc= -0.6 USER MOD Set 2.1: A 13 GLN : amide:sc= -1.53 X(o=-1.1,f=-0.82) USER MOD Set 2.2: A 29 SER OG : rot 28:sc= 0.39 USER MOD Single : A 17 ASN : amide:sc= -0.0872 K(o=-0.087,f=-0.9) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -32:sc= 0.322! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 52 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.84) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0573 K(o=-0.057,f=-2!) USER MOD Single : A 61 ASN : amide:sc= -1.08! C(o=-1.1!,f=-1.1!) USER MOD Single : A 65 GLN : amide:sc= -0.768 X(o=-0.77,f=-0.7) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= -1.64 (180deg=-3.84!) USER MOD Single : A 74 THR OG1 : rot 91:sc= 0.637 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 36:sc= 0.565 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -10.509 29.837 2.960 1.00 0.00 N ATOM 81 CA PRO A 9 -9.298 29.174 2.467 1.00 0.00 C ATOM 82 C PRO A 9 -9.524 28.471 1.134 1.00 0.00 C ATOM 83 O PRO A 9 -10.627 28.007 0.844 1.00 0.00 O ATOM 84 CB PRO A 9 -8.981 28.154 3.563 1.00 0.00 C ATOM 85 CG PRO A 9 -10.292 27.880 4.216 1.00 0.00 C ATOM 86 CD PRO A 9 -11.066 29.168 4.148 1.00 0.00 C ATOM 0 HA PRO A 9 -8.492 29.884 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.549 27.245 3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.259 28.551 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.823 27.078 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.154 27.562 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.136 28.989 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.929 29.767 5.048 1.00 0.00 H new ATOM 94 N VAL A 10 -8.472 28.394 0.324 1.00 0.00 N ATOM 95 CA VAL A 10 -8.556 27.745 -0.979 1.00 0.00 C ATOM 96 C VAL A 10 -7.395 26.780 -1.187 1.00 0.00 C ATOM 97 O VAL A 10 -6.239 27.120 -0.937 1.00 0.00 O ATOM 98 CB VAL A 10 -8.561 28.779 -2.121 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.230 29.512 -2.184 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.871 28.103 -3.449 1.00 0.00 C ATOM 0 H VAL A 10 -7.552 28.773 0.548 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.494 27.190 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.342 29.512 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.253 30.238 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.054 30.029 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.428 28.795 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.871 28.848 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.114 27.348 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.851 27.629 -3.396 1.00 0.00 H new ATOM 110 N ILE A 11 -7.711 25.574 -1.647 1.00 0.00 N ATOM 111 CA ILE A 11 -6.694 24.559 -1.891 1.00 0.00 C ATOM 112 C ILE A 11 -6.224 24.589 -3.342 1.00 0.00 C ATOM 113 O ILE A 11 -6.987 24.283 -4.258 1.00 0.00 O ATOM 114 CB ILE A 11 -7.216 23.148 -1.562 1.00 0.00 C ATOM 115 CG1 ILE A 11 -7.553 23.040 -0.073 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.188 22.097 -1.955 1.00 0.00 C ATOM 117 CD1 ILE A 11 -8.595 21.988 0.236 1.00 0.00 C ATOM 0 H ILE A 11 -8.663 25.276 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.855 24.789 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.126 22.970 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.643 22.812 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.909 24.007 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.572 21.105 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.992 22.162 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.263 22.270 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.784 21.967 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.519 22.226 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.234 21.012 -0.088 1.00 0.00 H new ATOM 129 N ARG A 12 -4.963 24.957 -3.542 1.00 0.00 N ATOM 130 CA ARG A 12 -4.390 25.026 -4.881 1.00 0.00 C ATOM 131 C ARG A 12 -3.984 23.640 -5.371 1.00 0.00 C ATOM 132 O ARG A 12 -4.313 23.246 -6.489 1.00 0.00 O ATOM 133 CB ARG A 12 -3.178 25.959 -4.892 1.00 0.00 C ATOM 134 CG ARG A 12 -3.471 27.346 -4.344 1.00 0.00 C ATOM 135 CD ARG A 12 -4.201 28.205 -5.364 1.00 0.00 C ATOM 136 NE ARG A 12 -3.975 29.631 -5.141 1.00 0.00 N ATOM 137 CZ ARG A 12 -4.257 30.569 -6.038 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.774 30.234 -7.212 1.00 0.00 N ATOM 139 NH2 ARG A 12 -4.023 31.845 -5.762 1.00 0.00 N ATOM 0 H ARG A 12 -4.318 25.212 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.150 25.421 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.378 25.508 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.811 26.052 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.074 27.261 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.537 27.831 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.869 27.938 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.270 27.995 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.579 29.922 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.956 29.254 -7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.990 30.956 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.626 32.107 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.240 32.564 -6.452 1.00 0.00 H new ATOM 153 N GLN A 13 -3.267 22.906 -4.525 1.00 0.00 N ATOM 154 CA GLN A 13 -2.815 21.564 -4.874 1.00 0.00 C ATOM 155 C GLN A 13 -3.921 20.540 -4.640 1.00 0.00 C ATOM 156 O GLN A 13 -4.491 20.000 -5.588 1.00 0.00 O ATOM 157 CB GLN A 13 -1.578 21.192 -4.055 1.00 0.00 C ATOM 158 CG GLN A 13 -0.637 20.238 -4.774 1.00 0.00 C ATOM 159 CD GLN A 13 -1.370 19.102 -5.460 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.551 18.028 -4.885 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.798 19.333 -6.695 1.00 0.00 N ATOM 0 H GLN A 13 -2.987 23.218 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.557 21.558 -5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.034 22.102 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.897 20.737 -3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.060 20.792 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.074 19.826 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.626 20.238 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.299 18.606 -7.206 1.00 0.00 H new ATOM 170 N GLY A 14 -4.219 20.276 -3.372 1.00 0.00 N ATOM 171 CA GLY A 14 -5.255 19.316 -3.037 1.00 0.00 C ATOM 172 C GLY A 14 -4.944 17.924 -3.551 1.00 0.00 C ATOM 173 O GLY A 14 -4.335 17.751 -4.607 1.00 0.00 O ATOM 0 H GLY A 14 -3.762 20.710 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.377 19.281 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.205 19.650 -3.455 1.00 0.00 H new ATOM 177 N PRO A 15 -5.366 16.902 -2.793 1.00 0.00 N ATOM 178 CA PRO A 15 -5.139 15.500 -3.158 1.00 0.00 C ATOM 179 C PRO A 15 -5.966 15.074 -4.366 1.00 0.00 C ATOM 180 O PRO A 15 -6.850 15.804 -4.814 1.00 0.00 O ATOM 181 CB PRO A 15 -5.582 14.733 -1.909 1.00 0.00 C ATOM 182 CG PRO A 15 -6.562 15.632 -1.239 1.00 0.00 C ATOM 183 CD PRO A 15 -6.098 17.034 -1.522 1.00 0.00 C ATOM 0 HA PRO A 15 -4.103 15.316 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.037 13.778 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.736 14.515 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.568 15.469 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.597 15.441 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.937 17.724 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.456 17.413 -0.726 1.00 0.00 H new ATOM 191 N VAL A 16 -5.673 13.888 -4.889 1.00 0.00 N ATOM 192 CA VAL A 16 -6.391 13.364 -6.045 1.00 0.00 C ATOM 193 C VAL A 16 -6.605 11.859 -5.923 1.00 0.00 C ATOM 194 O VAL A 16 -5.939 11.189 -5.136 1.00 0.00 O ATOM 195 CB VAL A 16 -5.637 13.659 -7.355 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.494 15.160 -7.563 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.275 12.982 -7.350 1.00 0.00 C ATOM 0 H VAL A 16 -4.943 13.272 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.359 13.865 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.216 13.254 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.959 15.349 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.483 15.616 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.938 15.591 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.756 13.201 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.687 13.355 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.405 11.904 -7.252 1.00 0.00 H new ATOM 207 N ASN A 17 -7.540 11.335 -6.710 1.00 0.00 N ATOM 208 CA ASN A 17 -7.842 9.908 -6.690 1.00 0.00 C ATOM 209 C ASN A 17 -6.624 9.088 -7.103 1.00 0.00 C ATOM 210 O ASN A 17 -5.920 9.439 -8.050 1.00 0.00 O ATOM 211 CB ASN A 17 -9.017 9.602 -7.622 1.00 0.00 C ATOM 212 CG ASN A 17 -8.898 10.313 -8.956 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.339 11.453 -9.106 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.299 9.642 -9.933 1.00 0.00 N ATOM 0 H ASN A 17 -8.101 11.876 -7.368 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.113 9.633 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.073 8.527 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.948 9.898 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.189 10.070 -10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.949 8.699 -9.764 1.00 0.00 H new ATOM 221 N GLN A 18 -6.383 7.994 -6.387 1.00 0.00 N ATOM 222 CA GLN A 18 -5.250 7.124 -6.680 1.00 0.00 C ATOM 223 C GLN A 18 -5.570 5.676 -6.323 1.00 0.00 C ATOM 224 O GLN A 18 -6.478 5.404 -5.537 1.00 0.00 O ATOM 225 CB GLN A 18 -4.012 7.590 -5.913 1.00 0.00 C ATOM 226 CG GLN A 18 -3.405 8.873 -6.457 1.00 0.00 C ATOM 227 CD GLN A 18 -2.133 9.269 -5.735 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.053 9.300 -6.327 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.252 9.574 -4.448 1.00 0.00 N ATOM 0 H GLN A 18 -6.957 7.689 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.048 7.179 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.278 7.739 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.260 6.802 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.192 8.748 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.133 9.680 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.166 9.535 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.429 9.847 -3.910 1.00 0.00 H new ATOM 238 N THR A 19 -4.818 4.748 -6.907 1.00 0.00 N ATOM 239 CA THR A 19 -5.021 3.328 -6.653 1.00 0.00 C ATOM 240 C THR A 19 -3.783 2.699 -6.025 1.00 0.00 C ATOM 241 O THR A 19 -2.666 2.889 -6.505 1.00 0.00 O ATOM 242 CB THR A 19 -5.368 2.569 -7.948 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.489 3.185 -8.591 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.683 1.111 -7.652 1.00 0.00 C ATOM 0 H THR A 19 -4.062 4.955 -7.560 1.00 0.00 H new ATOM 0 HA THR A 19 -5.858 3.248 -5.959 1.00 0.00 H new ATOM 0 HB THR A 19 -4.503 2.609 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.702 2.698 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.925 0.595 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.817 0.638 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.534 1.053 -6.973 1.00 0.00 H new ATOM 252 N VAL A 20 -3.988 1.948 -4.947 1.00 0.00 N ATOM 253 CA VAL A 20 -2.888 1.288 -4.254 1.00 0.00 C ATOM 254 C VAL A 20 -3.216 -0.172 -3.967 1.00 0.00 C ATOM 255 O VAL A 20 -4.383 -0.553 -3.887 1.00 0.00 O ATOM 256 CB VAL A 20 -2.554 1.998 -2.929 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.693 1.107 -2.047 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.861 3.326 -3.196 1.00 0.00 C ATOM 0 H VAL A 20 -4.906 1.782 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.022 1.339 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.486 2.200 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.467 1.626 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.230 0.184 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.763 0.871 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.632 3.814 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.936 3.150 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.517 3.967 -3.785 1.00 0.00 H new ATOM 268 N ALA A 21 -2.177 -0.987 -3.812 1.00 0.00 N ATOM 269 CA ALA A 21 -2.355 -2.406 -3.531 1.00 0.00 C ATOM 270 C ALA A 21 -2.412 -2.665 -2.029 1.00 0.00 C ATOM 271 O ALA A 21 -1.929 -1.862 -1.231 1.00 0.00 O ATOM 272 CB ALA A 21 -1.233 -3.214 -4.166 1.00 0.00 C ATOM 0 H ALA A 21 -1.204 -0.688 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.305 -2.721 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.378 -4.272 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.240 -3.061 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.275 -2.888 -3.760 1.00 0.00 H new ATOM 278 N VAL A 22 -3.006 -3.792 -1.650 1.00 0.00 N ATOM 279 CA VAL A 22 -3.125 -4.158 -0.243 1.00 0.00 C ATOM 280 C VAL A 22 -1.790 -4.014 0.477 1.00 0.00 C ATOM 281 O VAL A 22 -0.728 -4.200 -0.118 1.00 0.00 O ATOM 282 CB VAL A 22 -3.632 -5.603 -0.080 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.350 -6.112 1.325 1.00 0.00 C ATOM 284 CG2 VAL A 22 -5.117 -5.686 -0.398 1.00 0.00 C ATOM 0 H VAL A 22 -3.412 -4.467 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.849 -3.475 0.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.097 -6.239 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.715 -7.134 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.276 -6.091 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.856 -5.476 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.458 -6.714 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.671 -5.038 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.288 -5.365 -1.426 1.00 0.00 H new ATOM 294 N ASP A 23 -1.850 -3.682 1.762 1.00 0.00 N ATOM 295 CA ASP A 23 -0.645 -3.515 2.566 1.00 0.00 C ATOM 296 C ASP A 23 0.392 -2.678 1.823 1.00 0.00 C ATOM 297 O ASP A 23 1.594 -2.824 2.041 1.00 0.00 O ATOM 298 CB ASP A 23 -0.054 -4.878 2.927 1.00 0.00 C ATOM 299 CG ASP A 23 -0.794 -5.546 4.070 1.00 0.00 C ATOM 300 OD1 ASP A 23 -0.654 -5.079 5.220 1.00 0.00 O ATOM 301 OD2 ASP A 23 -1.513 -6.534 3.814 1.00 0.00 O ATOM 0 H ASP A 23 -2.721 -3.523 2.269 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.919 -2.992 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.082 -5.526 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.994 -4.756 3.199 1.00 0.00 H new ATOM 306 N GLY A 24 -0.083 -1.801 0.944 1.00 0.00 N ATOM 307 CA GLY A 24 0.816 -0.954 0.181 1.00 0.00 C ATOM 308 C GLY A 24 1.194 0.310 0.927 1.00 0.00 C ATOM 309 O GLY A 24 1.438 0.280 2.134 1.00 0.00 O ATOM 0 H GLY A 24 -1.074 -1.662 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.720 -1.513 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.344 -0.687 -0.764 1.00 0.00 H new ATOM 313 N THR A 25 1.244 1.427 0.207 1.00 0.00 N ATOM 314 CA THR A 25 1.598 2.707 0.807 1.00 0.00 C ATOM 315 C THR A 25 1.153 3.869 -0.074 1.00 0.00 C ATOM 316 O THR A 25 1.528 3.953 -1.244 1.00 0.00 O ATOM 317 CB THR A 25 3.115 2.814 1.050 1.00 0.00 C ATOM 318 OG1 THR A 25 3.610 1.589 1.603 1.00 0.00 O ATOM 319 CG2 THR A 25 3.433 3.966 1.991 1.00 0.00 C ATOM 0 H THR A 25 1.044 1.470 -0.792 1.00 0.00 H new ATOM 0 HA THR A 25 1.080 2.761 1.764 1.00 0.00 H new ATOM 0 HB THR A 25 3.601 3.003 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.918 1.181 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.510 4.021 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.081 4.901 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.936 3.803 2.947 1.00 0.00 H new ATOM 327 N PHE A 26 0.352 4.764 0.495 1.00 0.00 N ATOM 328 CA PHE A 26 -0.144 5.922 -0.240 1.00 0.00 C ATOM 329 C PHE A 26 -0.005 7.194 0.591 1.00 0.00 C ATOM 330 O PHE A 26 -0.191 7.178 1.807 1.00 0.00 O ATOM 331 CB PHE A 26 -1.609 5.713 -0.633 1.00 0.00 C ATOM 332 CG PHE A 26 -2.518 5.488 0.541 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.366 4.372 1.348 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.525 6.393 0.838 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.202 4.162 2.428 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.363 6.188 1.917 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.201 5.072 2.714 1.00 0.00 C ATOM 0 H PHE A 26 0.033 4.710 1.462 1.00 0.00 H new ATOM 0 HA PHE A 26 0.456 6.032 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.956 6.584 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.678 4.858 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.585 3.658 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.656 7.268 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.074 3.287 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.144 6.900 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.854 4.911 3.559 1.00 0.00 H new ATOM 347 N VAL A 27 0.325 8.296 -0.076 1.00 0.00 N ATOM 348 CA VAL A 27 0.489 9.577 0.599 1.00 0.00 C ATOM 349 C VAL A 27 -0.283 10.679 -0.118 1.00 0.00 C ATOM 350 O VAL A 27 -0.250 10.778 -1.345 1.00 0.00 O ATOM 351 CB VAL A 27 1.973 9.979 0.687 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.626 9.914 -0.685 1.00 0.00 C ATOM 353 CG2 VAL A 27 2.113 11.370 1.287 1.00 0.00 C ATOM 0 H VAL A 27 0.484 8.327 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 27 0.092 9.456 1.607 1.00 0.00 H new ATOM 0 HB VAL A 27 2.485 9.273 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.674 10.201 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.558 8.898 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.115 10.596 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.168 11.638 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.587 12.091 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.684 11.379 2.289 1.00 0.00 H new ATOM 363 N LEU A 28 -0.978 11.506 0.656 1.00 0.00 N ATOM 364 CA LEU A 28 -1.760 12.603 0.095 1.00 0.00 C ATOM 365 C LEU A 28 -1.269 13.947 0.624 1.00 0.00 C ATOM 366 O LEU A 28 -1.071 14.117 1.827 1.00 0.00 O ATOM 367 CB LEU A 28 -3.242 12.421 0.427 1.00 0.00 C ATOM 368 CG LEU A 28 -3.827 11.036 0.150 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.000 10.757 1.076 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.254 10.919 -1.306 1.00 0.00 C ATOM 0 H LEU A 28 -1.016 11.438 1.673 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.633 12.591 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.388 12.651 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.814 13.155 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.055 10.291 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.403 9.767 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.663 10.798 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.775 11.506 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.668 9.927 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.010 11.673 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.390 11.074 -1.952 1.00 0.00 H new ATOM 382 N SER A 29 -1.077 14.900 -0.283 1.00 0.00 N ATOM 383 CA SER A 29 -0.609 16.229 0.093 1.00 0.00 C ATOM 384 C SER A 29 -1.687 17.277 -0.164 1.00 0.00 C ATOM 385 O SER A 29 -2.175 17.422 -1.285 1.00 0.00 O ATOM 386 CB SER A 29 0.659 16.584 -0.686 1.00 0.00 C ATOM 387 OG SER A 29 0.420 16.576 -2.082 1.00 0.00 O ATOM 0 H SER A 29 -1.238 14.776 -1.283 1.00 0.00 H new ATOM 0 HA SER A 29 -0.382 16.220 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.013 17.568 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.449 15.872 -0.445 1.00 0.00 H new ATOM 0 HG SER A 29 -0.522 16.787 -2.254 1.00 0.00 H new ATOM 393 N CYS A 30 -2.054 18.007 0.884 1.00 0.00 N ATOM 394 CA CYS A 30 -3.075 19.043 0.775 1.00 0.00 C ATOM 395 C CYS A 30 -2.520 20.400 1.199 1.00 0.00 C ATOM 396 O CYS A 30 -2.071 20.573 2.332 1.00 0.00 O ATOM 397 CB CYS A 30 -4.289 18.685 1.635 1.00 0.00 C ATOM 398 SG CYS A 30 -5.556 19.991 1.712 1.00 0.00 S ATOM 0 H CYS A 30 -1.660 17.900 1.819 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.383 19.106 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.743 17.775 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.951 18.461 2.647 1.00 0.00 H new ATOM 403 N VAL A 31 -2.555 21.361 0.281 1.00 0.00 N ATOM 404 CA VAL A 31 -2.058 22.703 0.559 1.00 0.00 C ATOM 405 C VAL A 31 -3.147 23.748 0.346 1.00 0.00 C ATOM 406 O VAL A 31 -3.660 23.908 -0.761 1.00 0.00 O ATOM 407 CB VAL A 31 -0.849 23.049 -0.330 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.342 24.449 -0.021 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.258 22.020 -0.148 1.00 0.00 C ATOM 0 H VAL A 31 -2.923 21.235 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.747 22.715 1.604 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.168 23.026 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.512 24.676 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.136 25.173 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.039 24.504 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.104 22.280 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.577 22.009 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.114 21.033 -0.424 1.00 0.00 H new ATOM 419 N ALA A 32 -3.496 24.457 1.414 1.00 0.00 N ATOM 420 CA ALA A 32 -4.523 25.489 1.344 1.00 0.00 C ATOM 421 C ALA A 32 -3.974 26.841 1.789 1.00 0.00 C ATOM 422 O ALA A 32 -3.042 26.911 2.591 1.00 0.00 O ATOM 423 CB ALA A 32 -5.723 25.099 2.194 1.00 0.00 C ATOM 0 H ALA A 32 -3.082 24.336 2.338 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.842 25.579 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.482 25.879 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.138 24.160 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.410 24.979 3.231 1.00 0.00 H new ATOM 429 N THR A 33 -4.557 27.913 1.263 1.00 0.00 N ATOM 430 CA THR A 33 -4.126 29.263 1.604 1.00 0.00 C ATOM 431 C THR A 33 -5.047 29.888 2.646 1.00 0.00 C ATOM 432 O THR A 33 -6.207 29.499 2.776 1.00 0.00 O ATOM 433 CB THR A 33 -4.085 30.171 0.361 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.376 30.749 0.134 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.652 29.387 -0.868 1.00 0.00 C ATOM 0 H THR A 33 -5.330 27.873 0.598 1.00 0.00 H new ATOM 0 HA THR A 33 -3.120 29.178 2.016 1.00 0.00 H new ATOM 0 HB THR A 33 -3.359 30.964 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.341 31.326 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.631 30.050 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.657 28.973 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.357 28.576 -1.049 1.00 0.00 H new ATOM 443 N GLY A 34 -4.522 30.859 3.387 1.00 0.00 N ATOM 444 CA GLY A 34 -5.312 31.522 4.408 1.00 0.00 C ATOM 445 C GLY A 34 -4.503 31.842 5.649 1.00 0.00 C ATOM 446 O GLY A 34 -3.563 31.124 5.988 1.00 0.00 O ATOM 0 H GLY A 34 -3.564 31.198 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.727 32.444 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.155 30.887 4.681 1.00 0.00 H new ATOM 450 N SER A 35 -4.868 32.925 6.329 1.00 0.00 N ATOM 451 CA SER A 35 -4.166 33.342 7.537 1.00 0.00 C ATOM 452 C SER A 35 -5.148 33.582 8.680 1.00 0.00 C ATOM 453 O SER A 35 -6.191 34.215 8.514 1.00 0.00 O ATOM 454 CB SER A 35 -3.356 34.612 7.270 1.00 0.00 C ATOM 455 OG SER A 35 -2.524 34.927 8.372 1.00 0.00 O ATOM 0 H SER A 35 -5.646 33.529 6.064 1.00 0.00 H new ATOM 0 HA SER A 35 -3.486 32.541 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.746 34.477 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.032 35.443 7.072 1.00 0.00 H new ATOM 0 HG SER A 35 -2.016 35.742 8.176 1.00 0.00 H new ATOM 461 N PRO A 36 -4.807 33.066 9.870 1.00 0.00 N ATOM 462 CA PRO A 36 -3.568 32.311 10.080 1.00 0.00 C ATOM 463 C PRO A 36 -3.593 30.953 9.388 1.00 0.00 C ATOM 464 O PRO A 36 -4.660 30.406 9.109 1.00 0.00 O ATOM 465 CB PRO A 36 -3.513 32.136 11.600 1.00 0.00 C ATOM 466 CG PRO A 36 -4.933 32.217 12.043 1.00 0.00 C ATOM 467 CD PRO A 36 -5.606 33.179 11.103 1.00 0.00 C ATOM 0 HA PRO A 36 -2.701 32.826 9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.067 31.179 11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.908 32.914 12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.410 31.237 12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.001 32.566 13.073 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.649 32.911 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.598 34.196 11.495 1.00 0.00 H new ATOM 475 N VAL A 37 -2.410 30.412 9.114 1.00 0.00 N ATOM 476 CA VAL A 37 -2.296 29.116 8.456 1.00 0.00 C ATOM 477 C VAL A 37 -3.376 28.156 8.940 1.00 0.00 C ATOM 478 O VAL A 37 -3.535 27.914 10.137 1.00 0.00 O ATOM 479 CB VAL A 37 -0.914 28.482 8.701 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.851 27.858 10.087 1.00 0.00 C ATOM 481 CG2 VAL A 37 -0.604 27.449 7.628 1.00 0.00 C ATOM 0 H VAL A 37 -1.517 30.851 9.338 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.423 29.292 7.388 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.159 29.266 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.133 27.415 10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.026 28.626 10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.615 27.085 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.376 27.011 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.361 26.665 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.604 27.929 6.650 1.00 0.00 H new ATOM 491 N PRO A 38 -4.139 27.595 7.990 1.00 0.00 N ATOM 492 CA PRO A 38 -5.218 26.652 8.296 1.00 0.00 C ATOM 493 C PRO A 38 -4.692 25.313 8.802 1.00 0.00 C ATOM 494 O PRO A 38 -3.490 25.048 8.754 1.00 0.00 O ATOM 495 CB PRO A 38 -5.926 26.474 6.950 1.00 0.00 C ATOM 496 CG PRO A 38 -4.884 26.783 5.931 1.00 0.00 C ATOM 497 CD PRO A 38 -4.006 27.838 6.544 1.00 0.00 C ATOM 0 HA PRO A 38 -5.868 27.020 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.305 25.459 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.780 27.146 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.307 25.893 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.336 27.141 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.972 27.742 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.335 28.841 6.273 1.00 0.00 H new ATOM 505 N THR A 39 -5.598 24.471 9.287 1.00 0.00 N ATOM 506 CA THR A 39 -5.225 23.159 9.803 1.00 0.00 C ATOM 507 C THR A 39 -5.654 22.051 8.848 1.00 0.00 C ATOM 508 O THR A 39 -6.838 21.904 8.544 1.00 0.00 O ATOM 509 CB THR A 39 -5.852 22.901 11.186 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.446 23.920 12.106 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.441 21.536 11.719 1.00 0.00 C ATOM 0 H THR A 39 -6.597 24.674 9.334 1.00 0.00 H new ATOM 0 HA THR A 39 -4.139 23.153 9.898 1.00 0.00 H new ATOM 0 HB THR A 39 -6.937 22.921 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.850 23.750 12.982 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.895 21.375 12.697 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.777 20.760 11.031 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.356 21.493 11.812 1.00 0.00 H new ATOM 519 N ILE A 40 -4.684 21.273 8.379 1.00 0.00 N ATOM 520 CA ILE A 40 -4.962 20.177 7.460 1.00 0.00 C ATOM 521 C ILE A 40 -5.456 18.943 8.209 1.00 0.00 C ATOM 522 O ILE A 40 -4.837 18.504 9.179 1.00 0.00 O ATOM 523 CB ILE A 40 -3.715 19.800 6.639 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.146 21.035 5.938 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.055 18.718 5.624 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.121 21.692 4.986 1.00 0.00 C ATOM 0 H ILE A 40 -3.699 21.382 8.621 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.742 20.524 6.782 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.957 19.409 7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.840 21.762 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.249 20.750 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.163 18.463 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.418 17.832 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.828 19.083 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.650 22.560 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.408 20.981 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.008 22.009 5.535 1.00 0.00 H new ATOM 538 N LEU A 41 -6.573 18.388 7.752 1.00 0.00 N ATOM 539 CA LEU A 41 -7.150 17.203 8.377 1.00 0.00 C ATOM 540 C LEU A 41 -7.653 16.222 7.323 1.00 0.00 C ATOM 541 O LEU A 41 -7.483 16.442 6.124 1.00 0.00 O ATOM 542 CB LEU A 41 -8.296 17.601 9.309 1.00 0.00 C ATOM 543 CG LEU A 41 -8.008 18.753 10.272 1.00 0.00 C ATOM 544 CD1 LEU A 41 -9.306 19.377 10.760 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.173 18.268 11.449 1.00 0.00 C ATOM 0 H LEU A 41 -7.097 18.740 6.951 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.370 16.713 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.157 17.871 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.582 16.727 9.895 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.440 19.515 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.082 20.195 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.868 19.760 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.900 18.624 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.978 19.101 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.715 17.488 11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.227 17.867 11.084 1.00 0.00 H new ATOM 557 N TRP A 42 -8.274 15.140 7.779 1.00 0.00 N ATOM 558 CA TRP A 42 -8.804 14.125 6.875 1.00 0.00 C ATOM 559 C TRP A 42 -10.091 13.523 7.427 1.00 0.00 C ATOM 560 O TRP A 42 -10.371 13.623 8.622 1.00 0.00 O ATOM 561 CB TRP A 42 -7.768 13.024 6.648 1.00 0.00 C ATOM 562 CG TRP A 42 -6.552 13.495 5.909 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.370 13.908 6.454 1.00 0.00 C ATOM 564 CD2 TRP A 42 -6.401 13.604 4.489 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.493 14.267 5.459 1.00 0.00 N ATOM 566 CE2 TRP A 42 -5.101 14.089 4.245 1.00 0.00 C ATOM 567 CE3 TRP A 42 -7.235 13.338 3.401 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.620 14.313 2.958 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.757 13.560 2.124 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.458 14.043 1.911 1.00 0.00 C ATOM 0 H TRP A 42 -8.423 14.943 8.769 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.029 14.604 5.922 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.463 12.617 7.612 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.230 12.209 6.090 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.156 13.947 7.512 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.543 14.610 5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.237 12.965 3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.620 14.687 2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.394 13.358 1.276 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.112 14.205 0.901 1.00 0.00 H new ATOM 581 N ARG A 43 -10.871 12.899 6.551 1.00 0.00 N ATOM 582 CA ARG A 43 -12.130 12.282 6.952 1.00 0.00 C ATOM 583 C ARG A 43 -12.414 11.036 6.118 1.00 0.00 C ATOM 584 O ARG A 43 -12.440 11.092 4.888 1.00 0.00 O ATOM 585 CB ARG A 43 -13.280 13.279 6.808 1.00 0.00 C ATOM 586 CG ARG A 43 -13.321 14.326 7.909 1.00 0.00 C ATOM 587 CD ARG A 43 -14.557 15.204 7.798 1.00 0.00 C ATOM 588 NE ARG A 43 -14.372 16.291 6.840 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.319 17.172 6.536 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.510 17.095 7.113 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.075 18.133 5.654 1.00 0.00 N ATOM 0 H ARG A 43 -10.654 12.807 5.559 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.044 11.987 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.196 13.781 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.224 12.734 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.310 13.833 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.427 14.947 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.408 14.595 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.795 15.620 8.777 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.466 16.379 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.701 16.358 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.235 17.773 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.160 18.196 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.803 18.809 5.422 1.00 0.00 H new ATOM 605 N LYS A 44 -12.627 9.913 6.795 1.00 0.00 N ATOM 606 CA LYS A 44 -12.911 8.653 6.118 1.00 0.00 C ATOM 607 C LYS A 44 -14.410 8.368 6.105 1.00 0.00 C ATOM 608 O LYS A 44 -15.028 8.198 7.157 1.00 0.00 O ATOM 609 CB LYS A 44 -12.168 7.504 6.803 1.00 0.00 C ATOM 610 CG LYS A 44 -10.784 7.249 6.232 1.00 0.00 C ATOM 611 CD LYS A 44 -10.098 6.086 6.930 1.00 0.00 C ATOM 612 CE LYS A 44 -9.144 5.359 5.995 1.00 0.00 C ATOM 613 NZ LYS A 44 -7.998 4.757 6.731 1.00 0.00 N ATOM 0 H LYS A 44 -12.608 9.850 7.813 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.566 8.737 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.078 7.724 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.762 6.594 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.863 7.039 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.175 8.147 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.550 6.453 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.849 5.388 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.684 4.577 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.769 6.056 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.178 4.684 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.754 5.357 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.261 3.809 7.067 1.00 0.00 H new ATOM 627 N ASP A 45 -14.987 8.315 4.910 1.00 0.00 N ATOM 628 CA ASP A 45 -16.413 8.047 4.761 1.00 0.00 C ATOM 629 C ASP A 45 -17.232 8.924 5.703 1.00 0.00 C ATOM 630 O ASP A 45 -18.308 8.534 6.153 1.00 0.00 O ATOM 631 CB ASP A 45 -16.707 6.571 5.033 1.00 0.00 C ATOM 632 CG ASP A 45 -16.159 5.662 3.951 1.00 0.00 C ATOM 633 OD1 ASP A 45 -16.025 6.126 2.799 1.00 0.00 O ATOM 634 OD2 ASP A 45 -15.864 4.487 4.255 1.00 0.00 O ATOM 0 H ASP A 45 -14.490 8.454 4.030 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.697 8.283 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.276 6.289 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.784 6.427 5.113 1.00 0.00 H new ATOM 639 N GLY A 46 -16.713 10.112 5.998 1.00 0.00 N ATOM 640 CA GLY A 46 -17.409 11.026 6.886 1.00 0.00 C ATOM 641 C GLY A 46 -17.074 10.784 8.345 1.00 0.00 C ATOM 642 O GLY A 46 -17.923 10.952 9.220 1.00 0.00 O ATOM 0 H GLY A 46 -15.823 10.458 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.151 12.052 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.484 10.921 6.741 1.00 0.00 H new ATOM 646 N VAL A 47 -15.833 10.387 8.608 1.00 0.00 N ATOM 647 CA VAL A 47 -15.388 10.121 9.970 1.00 0.00 C ATOM 648 C VAL A 47 -13.995 10.691 10.215 1.00 0.00 C ATOM 649 O VAL A 47 -13.114 10.595 9.359 1.00 0.00 O ATOM 650 CB VAL A 47 -15.373 8.611 10.271 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.881 8.353 11.687 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.756 8.013 10.061 1.00 0.00 C ATOM 0 H VAL A 47 -15.118 10.243 7.895 1.00 0.00 H new ATOM 0 HA VAL A 47 -16.099 10.610 10.636 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.684 8.127 9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.877 7.280 11.881 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.870 8.745 11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.542 8.848 12.398 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.727 6.945 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -17.468 8.500 10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -17.065 8.165 9.027 1.00 0.00 H new ATOM 662 N LEU A 48 -13.802 11.283 11.388 1.00 0.00 N ATOM 663 CA LEU A 48 -12.514 11.869 11.746 1.00 0.00 C ATOM 664 C LEU A 48 -11.419 10.808 11.760 1.00 0.00 C ATOM 665 O LEU A 48 -11.480 9.846 12.526 1.00 0.00 O ATOM 666 CB LEU A 48 -12.603 12.544 13.116 1.00 0.00 C ATOM 667 CG LEU A 48 -12.993 14.023 13.111 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.840 14.878 12.609 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.234 14.244 12.258 1.00 0.00 C ATOM 0 H LEU A 48 -14.520 11.370 12.107 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.260 12.617 10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.328 12.000 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.637 12.445 13.611 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.221 14.322 14.134 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.136 15.927 12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.976 14.743 13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.580 14.578 11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.497 15.302 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.033 13.928 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.062 13.661 12.662 1.00 0.00 H new ATOM 681 N VAL A 49 -10.415 10.990 10.908 1.00 0.00 N ATOM 682 CA VAL A 49 -9.303 10.051 10.824 1.00 0.00 C ATOM 683 C VAL A 49 -8.540 9.983 12.142 1.00 0.00 C ATOM 684 O VAL A 49 -8.327 11.000 12.801 1.00 0.00 O ATOM 685 CB VAL A 49 -8.325 10.437 9.698 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.808 11.853 9.902 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.174 9.445 9.628 1.00 0.00 C ATOM 0 H VAL A 49 -10.349 11.780 10.266 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.732 9.073 10.604 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.860 10.404 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.119 12.108 9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.646 12.550 9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.289 11.917 10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.493 9.733 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.638 9.443 10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.565 8.447 9.430 1.00 0.00 H new ATOM 697 N SER A 50 -8.131 8.776 12.521 1.00 0.00 N ATOM 698 CA SER A 50 -7.395 8.574 13.764 1.00 0.00 C ATOM 699 C SER A 50 -5.893 8.514 13.501 1.00 0.00 C ATOM 700 O SER A 50 -5.362 7.480 13.095 1.00 0.00 O ATOM 701 CB SER A 50 -7.855 7.286 14.450 1.00 0.00 C ATOM 702 OG SER A 50 -8.926 7.540 15.344 1.00 0.00 O ATOM 0 H SER A 50 -8.297 7.924 11.986 1.00 0.00 H new ATOM 0 HA SER A 50 -7.599 9.420 14.420 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.168 6.562 13.698 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.021 6.841 14.993 1.00 0.00 H new ATOM 0 HG SER A 50 -9.203 6.702 15.769 1.00 0.00 H new ATOM 708 N THR A 51 -5.213 9.632 13.737 1.00 0.00 N ATOM 709 CA THR A 51 -3.773 9.709 13.525 1.00 0.00 C ATOM 710 C THR A 51 -3.011 9.174 14.732 1.00 0.00 C ATOM 711 O THR A 51 -2.047 9.787 15.189 1.00 0.00 O ATOM 712 CB THR A 51 -3.323 11.156 13.248 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.931 12.047 14.189 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.691 11.576 11.833 1.00 0.00 C ATOM 0 H THR A 51 -5.637 10.496 14.075 1.00 0.00 H new ATOM 0 HA THR A 51 -3.548 9.093 12.654 1.00 0.00 H new ATOM 0 HB THR A 51 -2.239 11.202 13.353 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.638 12.964 14.007 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.363 12.601 11.661 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.202 10.914 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.772 11.514 11.705 1.00 0.00 H new ATOM 722 N GLN A 52 -3.449 8.027 15.242 1.00 0.00 N ATOM 723 CA GLN A 52 -2.806 7.410 16.396 1.00 0.00 C ATOM 724 C GLN A 52 -2.127 6.102 16.006 1.00 0.00 C ATOM 725 O GLN A 52 -1.181 5.663 16.660 1.00 0.00 O ATOM 726 CB GLN A 52 -3.832 7.157 17.502 1.00 0.00 C ATOM 727 CG GLN A 52 -4.139 8.387 18.341 1.00 0.00 C ATOM 728 CD GLN A 52 -2.887 9.085 18.834 1.00 0.00 C ATOM 729 OE1 GLN A 52 -2.389 10.014 18.199 1.00 0.00 O ATOM 730 NE2 GLN A 52 -2.371 8.639 19.974 1.00 0.00 N ATOM 0 H GLN A 52 -4.246 7.507 14.874 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.044 8.096 16.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.756 6.794 17.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.463 6.366 18.154 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.731 9.086 17.751 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.749 8.096 19.196 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.817 7.866 20.468 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.529 9.070 20.356 1.00 0.00 H new ATOM 739 N ASP A 53 -2.617 5.482 14.938 1.00 0.00 N ATOM 740 CA ASP A 53 -2.057 4.223 14.460 1.00 0.00 C ATOM 741 C ASP A 53 -0.787 4.466 13.651 1.00 0.00 C ATOM 742 O ASP A 53 -0.805 5.179 12.648 1.00 0.00 O ATOM 743 CB ASP A 53 -3.084 3.474 13.609 1.00 0.00 C ATOM 744 CG ASP A 53 -2.719 2.016 13.413 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.537 1.733 13.127 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.616 1.158 13.546 1.00 0.00 O ATOM 0 H ASP A 53 -3.401 5.831 14.387 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.802 3.614 15.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.063 3.540 14.084 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.168 3.959 12.636 1.00 0.00 H new ATOM 751 N SER A 54 0.315 3.869 14.094 1.00 0.00 N ATOM 752 CA SER A 54 1.595 4.024 13.414 1.00 0.00 C ATOM 753 C SER A 54 1.402 4.104 11.903 1.00 0.00 C ATOM 754 O SER A 54 2.136 4.807 11.209 1.00 0.00 O ATOM 755 CB SER A 54 2.524 2.858 13.760 1.00 0.00 C ATOM 756 OG SER A 54 1.988 1.627 13.308 1.00 0.00 O ATOM 0 H SER A 54 0.347 3.273 14.921 1.00 0.00 H new ATOM 0 HA SER A 54 2.049 4.955 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.502 3.021 13.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.676 2.818 14.839 1.00 0.00 H new ATOM 0 HG SER A 54 2.601 0.898 13.540 1.00 0.00 H new ATOM 762 N ARG A 55 0.408 3.378 11.401 1.00 0.00 N ATOM 763 CA ARG A 55 0.117 3.366 9.972 1.00 0.00 C ATOM 764 C ARG A 55 -0.028 4.786 9.434 1.00 0.00 C ATOM 765 O ARG A 55 0.701 5.195 8.530 1.00 0.00 O ATOM 766 CB ARG A 55 -1.161 2.572 9.697 1.00 0.00 C ATOM 767 CG ARG A 55 -0.966 1.066 9.749 1.00 0.00 C ATOM 768 CD ARG A 55 -1.946 0.345 8.837 1.00 0.00 C ATOM 769 NE ARG A 55 -3.318 0.431 9.330 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.387 0.227 8.569 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.243 -0.075 7.286 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.603 0.323 9.091 1.00 0.00 N ATOM 0 H ARG A 55 -0.209 2.791 11.962 1.00 0.00 H new ATOM 0 HA ARG A 55 0.952 2.886 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.919 2.857 10.426 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.545 2.846 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.054 0.820 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.096 0.716 10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.893 0.774 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.657 -0.702 8.750 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.463 0.660 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.310 -0.151 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.066 -0.231 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.718 0.554 10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.423 0.166 8.505 1.00 0.00 H new ATOM 786 N ILE A 56 -0.973 5.533 9.996 1.00 0.00 N ATOM 787 CA ILE A 56 -1.212 6.907 9.573 1.00 0.00 C ATOM 788 C ILE A 56 -0.407 7.890 10.416 1.00 0.00 C ATOM 789 O ILE A 56 -0.557 7.946 11.637 1.00 0.00 O ATOM 790 CB ILE A 56 -2.706 7.272 9.666 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.541 6.311 8.818 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.928 8.710 9.220 1.00 0.00 C ATOM 793 CD1 ILE A 56 -4.010 5.088 9.575 1.00 0.00 C ATOM 0 H ILE A 56 -1.585 5.210 10.745 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.892 6.977 8.533 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.024 7.181 10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.409 6.843 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.952 5.992 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.988 8.953 9.291 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.358 9.382 9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.598 8.826 8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.596 4.452 8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.146 4.533 9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.627 5.397 10.419 1.00 0.00 H new ATOM 805 N LYS A 57 0.447 8.665 9.757 1.00 0.00 N ATOM 806 CA LYS A 57 1.275 9.649 10.444 1.00 0.00 C ATOM 807 C LYS A 57 1.494 10.880 9.570 1.00 0.00 C ATOM 808 O LYS A 57 1.638 10.770 8.353 1.00 0.00 O ATOM 809 CB LYS A 57 2.623 9.035 10.826 1.00 0.00 C ATOM 810 CG LYS A 57 3.585 10.025 11.459 1.00 0.00 C ATOM 811 CD LYS A 57 4.545 9.336 12.415 1.00 0.00 C ATOM 812 CE LYS A 57 5.577 8.507 11.667 1.00 0.00 C ATOM 813 NZ LYS A 57 6.608 7.946 12.584 1.00 0.00 N ATOM 0 H LYS A 57 0.584 8.631 8.747 1.00 0.00 H new ATOM 0 HA LYS A 57 0.754 9.956 11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.454 8.211 11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.085 8.611 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.150 10.534 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.022 10.789 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.051 10.084 13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.985 8.694 13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.077 7.693 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.061 9.125 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.293 7.387 12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.102 8.723 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.149 7.335 13.290 1.00 0.00 H new ATOM 827 N GLN A 58 1.520 12.051 10.200 1.00 0.00 N ATOM 828 CA GLN A 58 1.722 13.301 9.478 1.00 0.00 C ATOM 829 C GLN A 58 3.196 13.695 9.475 1.00 0.00 C ATOM 830 O GLN A 58 3.704 14.248 10.452 1.00 0.00 O ATOM 831 CB GLN A 58 0.885 14.418 10.105 1.00 0.00 C ATOM 832 CG GLN A 58 -0.522 14.514 9.538 1.00 0.00 C ATOM 833 CD GLN A 58 -1.150 15.875 9.764 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.470 16.831 10.140 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.455 15.971 9.535 1.00 0.00 N ATOM 0 H GLN A 58 1.404 12.159 11.208 1.00 0.00 H new ATOM 0 HA GLN A 58 1.402 13.152 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.824 14.255 11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.394 15.370 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.494 14.304 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.148 13.749 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.980 15.153 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.932 16.862 9.670 1.00 0.00 H new ATOM 844 N LEU A 59 3.878 13.407 8.373 1.00 0.00 N ATOM 845 CA LEU A 59 5.294 13.730 8.242 1.00 0.00 C ATOM 846 C LEU A 59 5.502 15.238 8.147 1.00 0.00 C ATOM 847 O LEU A 59 6.168 15.837 8.990 1.00 0.00 O ATOM 848 CB LEU A 59 5.883 13.044 7.009 1.00 0.00 C ATOM 849 CG LEU A 59 5.728 11.524 6.948 1.00 0.00 C ATOM 850 CD1 LEU A 59 6.023 10.902 8.305 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.329 11.149 6.481 1.00 0.00 C ATOM 0 H LEU A 59 3.473 12.950 7.556 1.00 0.00 H new ATOM 0 HA LEU A 59 5.807 13.366 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.416 13.473 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.945 13.283 6.958 1.00 0.00 H new ATOM 0 HG LEU A 59 6.447 11.134 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.908 9.820 8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.044 11.141 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.329 11.298 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.237 10.064 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.593 11.552 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.154 11.563 5.488 1.00 0.00 H new ATOM 863 N GLU A 60 4.924 15.846 7.114 1.00 0.00 N ATOM 864 CA GLU A 60 5.045 17.284 6.910 1.00 0.00 C ATOM 865 C GLU A 60 3.691 17.971 7.063 1.00 0.00 C ATOM 866 O GLU A 60 2.652 17.314 7.113 1.00 0.00 O ATOM 867 CB GLU A 60 5.625 17.578 5.525 1.00 0.00 C ATOM 868 CG GLU A 60 6.884 16.788 5.212 1.00 0.00 C ATOM 869 CD GLU A 60 7.812 17.520 4.261 1.00 0.00 C ATOM 870 OE1 GLU A 60 8.484 18.473 4.707 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.864 17.140 3.073 1.00 0.00 O ATOM 0 H GLU A 60 4.368 15.365 6.407 1.00 0.00 H new ATOM 0 HA GLU A 60 5.720 17.677 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.870 17.357 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.847 18.643 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.415 16.575 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.607 15.828 4.776 1.00 0.00 H new ATOM 878 N ASN A 61 3.712 19.298 7.137 1.00 0.00 N ATOM 879 CA ASN A 61 2.487 20.075 7.286 1.00 0.00 C ATOM 880 C ASN A 61 1.524 19.796 6.136 1.00 0.00 C ATOM 881 O ASN A 61 1.786 20.159 4.990 1.00 0.00 O ATOM 882 CB ASN A 61 2.810 21.570 7.344 1.00 0.00 C ATOM 883 CG ASN A 61 3.189 22.133 5.988 1.00 0.00 C ATOM 884 OD1 ASN A 61 2.372 22.760 5.314 1.00 0.00 O ATOM 885 ND2 ASN A 61 4.434 21.910 5.582 1.00 0.00 N ATOM 0 H ASN A 61 4.564 19.857 7.096 1.00 0.00 H new ATOM 0 HA ASN A 61 2.008 19.777 8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.946 22.111 7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.629 21.735 8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.747 22.264 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.077 21.385 6.174 1.00 0.00 H new ATOM 892 N GLY A 62 0.406 19.149 6.451 1.00 0.00 N ATOM 893 CA GLY A 62 -0.580 18.833 5.435 1.00 0.00 C ATOM 894 C GLY A 62 -0.297 17.515 4.743 1.00 0.00 C ATOM 895 O GLY A 62 -1.177 16.941 4.099 1.00 0.00 O ATOM 0 H GLY A 62 0.166 18.838 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.569 18.795 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.602 19.632 4.694 1.00 0.00 H new ATOM 899 N VAL A 63 0.934 17.032 4.873 1.00 0.00 N ATOM 900 CA VAL A 63 1.331 15.773 4.254 1.00 0.00 C ATOM 901 C VAL A 63 1.028 14.591 5.169 1.00 0.00 C ATOM 902 O VAL A 63 1.517 14.524 6.297 1.00 0.00 O ATOM 903 CB VAL A 63 2.832 15.767 3.907 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.205 14.489 3.171 1.00 0.00 C ATOM 905 CG2 VAL A 63 3.193 16.992 3.082 1.00 0.00 C ATOM 0 H VAL A 63 1.674 17.494 5.402 1.00 0.00 H new ATOM 0 HA VAL A 63 0.752 15.676 3.335 1.00 0.00 H new ATOM 0 HB VAL A 63 3.402 15.802 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.269 14.503 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.985 13.628 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.629 14.419 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.257 16.971 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.616 16.991 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.965 17.894 3.651 1.00 0.00 H new ATOM 915 N LEU A 64 0.218 13.661 4.675 1.00 0.00 N ATOM 916 CA LEU A 64 -0.152 12.480 5.447 1.00 0.00 C ATOM 917 C LEU A 64 0.128 11.205 4.659 1.00 0.00 C ATOM 918 O LEU A 64 -0.341 11.045 3.533 1.00 0.00 O ATOM 919 CB LEU A 64 -1.631 12.541 5.832 1.00 0.00 C ATOM 920 CG LEU A 64 -2.166 11.352 6.632 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.015 11.602 8.125 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.621 11.083 6.278 1.00 0.00 C ATOM 0 H LEU A 64 -0.195 13.702 3.743 1.00 0.00 H new ATOM 0 HA LEU A 64 0.453 12.465 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.798 13.448 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.220 12.634 4.919 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.581 10.470 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.401 10.746 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.961 11.744 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.574 12.495 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.985 10.234 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.220 11.963 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.701 10.859 5.214 1.00 0.00 H new ATOM 934 N GLN A 65 0.894 10.300 5.261 1.00 0.00 N ATOM 935 CA GLN A 65 1.234 9.037 4.615 1.00 0.00 C ATOM 936 C GLN A 65 0.631 7.859 5.371 1.00 0.00 C ATOM 937 O GLN A 65 0.627 7.835 6.602 1.00 0.00 O ATOM 938 CB GLN A 65 2.753 8.879 4.527 1.00 0.00 C ATOM 939 CG GLN A 65 3.195 7.756 3.602 1.00 0.00 C ATOM 940 CD GLN A 65 4.574 7.991 3.017 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.730 8.130 1.803 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.583 8.038 3.878 1.00 0.00 N ATOM 0 H GLN A 65 1.290 10.418 6.193 1.00 0.00 H new ATOM 0 HA GLN A 65 0.818 9.049 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.188 9.816 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.149 8.693 5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.193 6.815 4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.473 7.653 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.408 7.918 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.533 8.194 3.542 1.00 0.00 H new ATOM 951 N ILE A 66 0.121 6.883 4.627 1.00 0.00 N ATOM 952 CA ILE A 66 -0.484 5.701 5.228 1.00 0.00 C ATOM 953 C ILE A 66 0.114 4.423 4.651 1.00 0.00 C ATOM 954 O ILE A 66 -0.108 4.093 3.486 1.00 0.00 O ATOM 955 CB ILE A 66 -2.010 5.681 5.017 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.648 6.930 5.629 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.612 4.422 5.622 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.720 8.101 4.675 1.00 0.00 C ATOM 0 H ILE A 66 0.115 6.888 3.607 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.273 5.747 6.296 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.214 5.679 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.655 6.685 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.078 7.224 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.691 4.423 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.176 3.545 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.401 4.395 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.183 8.951 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.714 8.373 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.315 7.825 3.804 1.00 0.00 H new ATOM 970 N ARG A 67 0.872 3.707 5.474 1.00 0.00 N ATOM 971 CA ARG A 67 1.503 2.464 5.046 1.00 0.00 C ATOM 972 C ARG A 67 0.614 1.265 5.366 1.00 0.00 C ATOM 973 O ARG A 67 -0.322 1.367 6.159 1.00 0.00 O ATOM 974 CB ARG A 67 2.864 2.297 5.724 1.00 0.00 C ATOM 975 CG ARG A 67 3.830 3.435 5.437 1.00 0.00 C ATOM 976 CD ARG A 67 4.805 3.641 6.586 1.00 0.00 C ATOM 977 NE ARG A 67 4.252 4.507 7.624 1.00 0.00 N ATOM 978 CZ ARG A 67 4.145 5.826 7.502 1.00 0.00 C ATOM 979 NH1 ARG A 67 4.551 6.427 6.392 1.00 0.00 N ATOM 980 NH2 ARG A 67 3.631 6.545 8.491 1.00 0.00 N ATOM 0 H ARG A 67 1.064 3.966 6.442 1.00 0.00 H new ATOM 0 HA ARG A 67 1.646 2.512 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.717 2.219 6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.312 1.359 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.383 3.222 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.270 4.354 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.064 2.675 7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.728 4.077 6.204 1.00 0.00 H new ATOM 0 HE ARG A 67 3.930 4.076 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.946 5.877 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.468 7.439 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.318 6.086 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.549 7.557 8.397 1.00 0.00 H new ATOM 994 N TYR A 68 0.912 0.131 4.742 1.00 0.00 N ATOM 995 CA TYR A 68 0.139 -1.086 4.957 1.00 0.00 C ATOM 996 C TYR A 68 -1.344 -0.843 4.694 1.00 0.00 C ATOM 997 O TYR A 68 -2.201 -1.258 5.474 1.00 0.00 O ATOM 998 CB TYR A 68 0.338 -1.596 6.385 1.00 0.00 C ATOM 999 CG TYR A 68 1.733 -2.114 6.654 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.768 -1.244 6.973 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.016 -3.473 6.588 1.00 0.00 C ATOM 1002 CE1 TYR A 68 4.045 -1.712 7.219 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.288 -3.950 6.834 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.299 -3.066 7.148 1.00 0.00 C ATOM 1005 OH TYR A 68 5.569 -3.538 7.392 1.00 0.00 O ATOM 0 H TYR A 68 1.684 0.029 4.083 1.00 0.00 H new ATOM 0 HA TYR A 68 0.495 -1.841 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.118 -0.789 7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.380 -2.392 6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.571 -0.184 7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.227 -4.168 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.839 -1.022 7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.490 -5.010 6.781 1.00 0.00 H new ATOM 0 HH TYR A 68 5.578 -4.514 7.302 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.639 -0.166 3.589 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.018 0.131 3.220 1.00 0.00 C ATOM 1017 C ALA A 69 -3.856 -1.142 3.157 1.00 0.00 C ATOM 1018 O ALA A 69 -3.821 -1.873 2.167 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.062 0.860 1.886 1.00 0.00 C ATOM 0 H ALA A 69 -0.942 0.187 2.934 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.443 0.777 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.098 1.075 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.506 1.794 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.614 0.234 1.114 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.609 -1.402 4.221 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.457 -2.586 4.288 1.00 0.00 C ATOM 1027 C LYS A 70 -6.700 -2.414 3.421 1.00 0.00 C ATOM 1028 O LYS A 70 -7.024 -1.305 2.995 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.865 -2.865 5.736 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.687 -3.070 6.672 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.096 -2.912 8.126 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.883 -2.794 9.037 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.228 -2.163 10.341 1.00 0.00 N ATOM 0 H LYS A 70 -4.649 -0.808 5.049 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.886 -3.434 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.468 -2.034 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.497 -3.753 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.267 -4.064 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.903 -2.352 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.722 -2.026 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.699 -3.767 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.463 -3.784 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.112 -2.204 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.475 -1.500 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.127 -1.648 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.323 -2.900 11.069 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.395 -3.517 3.166 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.605 -3.488 2.352 1.00 0.00 C ATOM 1049 C LEU A 71 -9.662 -2.585 2.979 1.00 0.00 C ATOM 1050 O LEU A 71 -10.479 -1.989 2.278 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.163 -4.902 2.181 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.397 -5.814 1.221 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.886 -7.249 1.345 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.541 -5.322 -0.211 1.00 0.00 C ATOM 0 H LEU A 71 -7.141 -4.443 3.511 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.344 -3.086 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.192 -5.381 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.193 -4.825 1.833 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.341 -5.787 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.330 -7.884 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.731 -7.599 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.948 -7.294 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.990 -5.983 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.595 -5.319 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.142 -4.311 -0.290 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.638 -2.486 4.305 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.598 -1.652 5.004 1.00 0.00 C ATOM 1068 C GLY A 72 -10.326 -0.173 4.814 1.00 0.00 C ATOM 1069 O GLY A 72 -11.241 0.648 4.893 1.00 0.00 O ATOM 0 H GLY A 72 -8.971 -2.968 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.602 -1.882 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.574 -1.889 6.068 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.067 0.169 4.565 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.678 1.560 4.364 1.00 0.00 C ATOM 1075 C ASP A 73 -9.355 2.141 3.127 1.00 0.00 C ATOM 1076 O ASP A 73 -9.413 3.358 2.951 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.158 1.672 4.229 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.444 1.496 5.555 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.028 0.870 6.464 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.302 1.985 5.683 1.00 0.00 O ATOM 0 H ASP A 73 -8.298 -0.498 4.497 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.001 2.131 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.802 0.919 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.904 2.646 3.810 1.00 0.00 H new ATOM 1085 N THR A 74 -9.867 1.262 2.271 1.00 0.00 N ATOM 1086 CA THR A 74 -10.538 1.686 1.049 1.00 0.00 C ATOM 1087 C THR A 74 -11.649 2.686 1.351 1.00 0.00 C ATOM 1088 O THR A 74 -12.743 2.306 1.766 1.00 0.00 O ATOM 1089 CB THR A 74 -11.136 0.487 0.290 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.111 -0.473 0.006 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.788 0.938 -1.008 1.00 0.00 C ATOM 0 H THR A 74 -9.829 0.251 2.402 1.00 0.00 H new ATOM 0 HA THR A 74 -9.783 2.162 0.423 1.00 0.00 H new ATOM 0 HB THR A 74 -11.898 0.030 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.062 -1.125 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.203 0.074 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.586 1.646 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.042 1.418 -1.642 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.360 3.967 1.139 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.346 5.001 1.394 1.00 0.00 C ATOM 1101 C GLY A 75 -12.043 6.286 0.649 1.00 0.00 C ATOM 1102 O GLY A 75 -11.102 6.345 -0.143 1.00 0.00 O ATOM 0 H GLY A 75 -10.462 4.306 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.332 4.639 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.386 5.205 2.464 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.843 7.317 0.901 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.658 8.606 0.246 1.00 0.00 C ATOM 1108 C ARG A 76 -11.934 9.585 1.166 1.00 0.00 C ATOM 1109 O ARG A 76 -12.522 10.117 2.108 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.009 9.188 -0.174 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.508 8.667 -1.512 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.354 7.414 -1.341 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.747 7.731 -1.039 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.669 6.812 -0.777 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.348 5.526 -0.780 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -18.916 7.179 -0.511 1.00 0.00 N ATOM 0 H ARG A 76 -13.626 7.284 1.554 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.046 8.449 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.748 8.959 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.927 10.274 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.096 9.439 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.658 8.448 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.307 6.818 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.939 6.803 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.027 8.712 -1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.390 5.240 -0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.059 4.823 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.167 8.168 -0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.624 6.472 -0.310 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.656 9.815 0.887 1.00 0.00 N ATOM 1131 CA TYR A 77 -9.851 10.727 1.691 1.00 0.00 C ATOM 1132 C TYR A 77 -10.077 12.175 1.264 1.00 0.00 C ATOM 1133 O TYR A 77 -9.719 12.571 0.154 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.368 10.374 1.571 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.009 9.047 2.201 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.327 7.849 1.574 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.353 8.992 3.425 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.001 6.634 2.146 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.022 7.782 4.004 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.348 6.606 3.361 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.022 5.399 3.936 1.00 0.00 O ATOM 0 H TYR A 77 -10.155 9.383 0.111 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.159 10.621 2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.092 10.353 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.777 11.161 2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.838 7.867 0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.098 9.911 3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.256 5.712 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.511 7.757 4.955 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.689 4.726 3.684 1.00 0.00 H new ATOM 1151 N THR A 78 -10.674 12.961 2.154 1.00 0.00 N ATOM 1152 CA THR A 78 -10.949 14.364 1.871 1.00 0.00 C ATOM 1153 C THR A 78 -10.181 15.277 2.820 1.00 0.00 C ATOM 1154 O THR A 78 -10.007 14.961 3.997 1.00 0.00 O ATOM 1155 CB THR A 78 -12.453 14.676 1.982 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.180 13.940 0.991 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.712 16.165 1.807 1.00 0.00 C ATOM 0 H THR A 78 -10.976 12.650 3.077 1.00 0.00 H new ATOM 0 HA THR A 78 -10.622 14.550 0.848 1.00 0.00 H new ATOM 0 HB THR A 78 -12.791 14.380 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.136 14.142 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.781 16.360 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.181 16.720 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.360 16.483 0.826 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.724 16.412 2.302 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.975 17.372 3.103 1.00 0.00 C ATOM 1167 C CYS A 79 -9.896 18.456 3.656 1.00 0.00 C ATOM 1168 O CYS A 79 -10.918 18.783 3.052 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.864 18.011 2.266 1.00 0.00 C ATOM 1170 SG CYS A 79 -6.837 19.205 3.180 1.00 0.00 S ATOM 0 H CYS A 79 -9.860 16.689 1.330 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.528 16.837 3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.222 17.223 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.313 18.515 1.410 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.527 19.007 4.807 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.319 20.054 5.441 1.00 0.00 C ATOM 1177 C ILE A 80 -9.426 21.145 6.021 1.00 0.00 C ATOM 1178 O ILE A 80 -8.480 20.861 6.755 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.210 19.485 6.562 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.969 18.253 6.065 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.180 20.547 7.058 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.187 16.966 6.203 1.00 0.00 C ATOM 0 H ILE A 80 -8.685 18.746 5.320 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.954 20.482 4.665 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.574 19.185 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.903 18.163 6.620 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.234 18.397 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.803 20.130 7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.620 21.398 7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.813 20.875 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.786 16.135 5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.266 17.036 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.945 16.798 7.252 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.733 22.394 5.687 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.960 23.528 6.178 1.00 0.00 C ATOM 1196 C ALA A 81 -9.818 24.443 7.045 1.00 0.00 C ATOM 1197 O ALA A 81 -10.632 25.214 6.535 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.367 24.306 5.012 1.00 0.00 C ATOM 0 H ALA A 81 -10.512 22.646 5.078 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.148 23.143 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.792 25.150 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.713 23.653 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.170 24.673 4.373 1.00 0.00 H new ATOM 1204 N SER A 82 -9.632 24.352 8.358 1.00 0.00 N ATOM 1205 CA SER A 82 -10.393 25.168 9.296 1.00 0.00 C ATOM 1206 C SER A 82 -9.708 26.513 9.525 1.00 0.00 C ATOM 1207 O SER A 82 -8.511 26.574 9.806 1.00 0.00 O ATOM 1208 CB SER A 82 -10.557 24.433 10.628 1.00 0.00 C ATOM 1209 OG SER A 82 -10.993 25.316 11.647 1.00 0.00 O ATOM 0 H SER A 82 -8.961 23.721 8.796 1.00 0.00 H new ATOM 0 HA SER A 82 -11.378 25.350 8.866 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.276 23.622 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.608 23.980 10.916 1.00 0.00 H new ATOM 0 HG SER A 82 -11.092 24.822 12.488 1.00 0.00 H new ATOM 1215 N THR A 83 -10.478 27.590 9.403 1.00 0.00 N ATOM 1216 CA THR A 83 -9.948 28.934 9.595 1.00 0.00 C ATOM 1217 C THR A 83 -10.987 29.849 10.232 1.00 0.00 C ATOM 1218 O THR A 83 -12.188 29.578 10.206 1.00 0.00 O ATOM 1219 CB THR A 83 -9.486 29.551 8.261 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.263 29.022 7.181 1.00 0.00 O ATOM 1221 CG2 THR A 83 -8.011 29.270 8.017 1.00 0.00 C ATOM 0 H THR A 83 -11.471 27.557 9.172 1.00 0.00 H new ATOM 0 HA THR A 83 -9.090 28.843 10.262 1.00 0.00 H new ATOM 0 HB THR A 83 -9.630 30.630 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.187 28.888 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.708 29.715 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.420 29.700 8.826 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.847 28.193 7.981 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.517 30.960 10.819 1.00 0.00 N ATOM 1230 CA PRO A 84 -11.390 31.938 11.474 1.00 0.00 C ATOM 1231 C PRO A 84 -12.247 32.710 10.476 1.00 0.00 C ATOM 1232 O PRO A 84 -13.003 33.605 10.854 1.00 0.00 O ATOM 1233 CB PRO A 84 -10.406 32.879 12.174 1.00 0.00 C ATOM 1234 CG PRO A 84 -9.147 32.764 11.386 1.00 0.00 C ATOM 1235 CD PRO A 84 -9.098 31.346 10.888 1.00 0.00 C ATOM 0 HA PRO A 84 -12.100 31.462 12.150 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.776 33.904 12.182 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.251 32.588 13.213 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.141 33.470 10.555 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.278 32.991 12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.615 31.279 9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.539 30.701 11.566 1.00 0.00 H new ATOM 1243 N SER A 85 -12.125 32.357 9.201 1.00 0.00 N ATOM 1244 CA SER A 85 -12.886 33.019 8.148 1.00 0.00 C ATOM 1245 C SER A 85 -13.854 32.045 7.483 1.00 0.00 C ATOM 1246 O SER A 85 -14.907 32.441 6.986 1.00 0.00 O ATOM 1247 CB SER A 85 -11.940 33.611 7.101 1.00 0.00 C ATOM 1248 OG SER A 85 -11.112 34.611 7.668 1.00 0.00 O ATOM 0 H SER A 85 -11.506 31.616 8.872 1.00 0.00 H new ATOM 0 HA SER A 85 -13.463 33.824 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.321 32.820 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.520 34.036 6.282 1.00 0.00 H new ATOM 0 HG SER A 85 -10.516 34.972 6.979 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.487 30.767 7.478 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.333 29.755 6.872 1.00 0.00 C ATOM 1256 C GLY A 86 -13.677 28.389 6.850 1.00 0.00 C ATOM 1257 O GLY A 86 -12.776 28.113 7.641 1.00 0.00 O ATOM 0 H GLY A 86 -12.620 30.415 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.273 29.695 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.578 30.053 5.853 1.00 0.00 H new ATOM 1261 N GLU A 87 -14.130 27.531 5.941 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.582 26.185 5.821 1.00 0.00 C ATOM 1263 C GLU A 87 -13.891 25.592 4.449 1.00 0.00 C ATOM 1264 O GLU A 87 -15.020 25.675 3.965 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.147 25.281 6.918 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.399 23.967 7.069 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.290 22.841 7.556 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -14.591 22.804 8.768 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.687 21.997 6.726 1.00 0.00 O ATOM 0 H GLU A 87 -14.875 27.744 5.277 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.500 26.249 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.120 25.816 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.194 25.070 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.961 23.690 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.574 24.101 7.769 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.880 24.995 3.828 1.00 0.00 N ATOM 1277 CA ALA A 88 -13.042 24.386 2.513 1.00 0.00 C ATOM 1278 C ALA A 88 -12.647 22.914 2.537 1.00 0.00 C ATOM 1279 O ALA A 88 -12.082 22.427 3.517 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.220 25.139 1.478 1.00 0.00 C ATOM 0 H ALA A 88 -11.939 24.920 4.214 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.095 24.447 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.350 24.674 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.553 26.176 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.167 25.108 1.757 1.00 0.00 H new ATOM 1286 N THR A 89 -12.948 22.207 1.452 1.00 0.00 N ATOM 1287 CA THR A 89 -12.626 20.790 1.349 1.00 0.00 C ATOM 1288 C THR A 89 -12.165 20.432 -0.060 1.00 0.00 C ATOM 1289 O THR A 89 -12.336 21.212 -0.996 1.00 0.00 O ATOM 1290 CB THR A 89 -13.835 19.911 1.720 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.994 20.341 0.997 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.111 19.973 3.214 1.00 0.00 C ATOM 0 H THR A 89 -13.415 22.594 0.632 1.00 0.00 H new ATOM 0 HA THR A 89 -11.817 20.598 2.053 1.00 0.00 H new ATOM 0 HB THR A 89 -13.602 18.880 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.758 19.776 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.969 19.344 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.238 19.617 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.324 21.002 3.502 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.581 19.247 -0.202 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.096 18.786 -1.498 1.00 0.00 C ATOM 1302 C TRP A 90 -11.620 17.389 -1.810 1.00 0.00 C ATOM 1303 O TRP A 90 -11.985 16.637 -0.906 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.567 18.787 -1.523 1.00 0.00 C ATOM 1305 CG TRP A 90 -8.995 18.706 -2.906 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.577 17.579 -3.555 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.777 19.796 -3.808 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.112 17.903 -4.807 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.224 19.257 -4.987 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -8.996 21.174 -3.736 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -7.889 20.049 -6.081 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -8.661 21.959 -4.823 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.114 21.395 -5.983 1.00 0.00 C ATOM 0 H TRP A 90 -11.432 18.589 0.563 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.466 19.471 -2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.204 19.694 -1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.201 17.945 -0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.607 16.580 -3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.743 17.243 -5.491 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.419 21.618 -2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.466 19.616 -6.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -8.824 23.026 -4.777 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.865 22.035 -6.816 1.00 0.00 H new ATOM 1324 N SER A 91 -11.656 17.047 -3.094 1.00 0.00 N ATOM 1325 CA SER A 91 -12.140 15.741 -3.524 1.00 0.00 C ATOM 1326 C SER A 91 -10.978 14.780 -3.756 1.00 0.00 C ATOM 1327 O SER A 91 -9.992 15.128 -4.406 1.00 0.00 O ATOM 1328 CB SER A 91 -12.968 15.876 -4.803 1.00 0.00 C ATOM 1329 OG SER A 91 -12.133 16.043 -5.936 1.00 0.00 O ATOM 0 H SER A 91 -11.356 17.657 -3.855 1.00 0.00 H new ATOM 0 HA SER A 91 -12.771 15.336 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.589 14.990 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.642 16.728 -4.715 1.00 0.00 H new ATOM 0 HG SER A 91 -12.686 16.125 -6.741 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.102 13.571 -3.220 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.063 12.559 -3.370 1.00 0.00 C ATOM 1337 C ALA A 92 -10.580 11.180 -2.974 1.00 0.00 C ATOM 1338 O ALA A 92 -11.419 11.053 -2.082 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.844 12.927 -2.539 1.00 0.00 C ATOM 0 H ALA A 92 -11.911 13.268 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.774 12.522 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.076 12.163 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.454 13.889 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.126 12.994 -1.488 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.073 10.149 -3.641 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.486 8.779 -3.360 1.00 0.00 C ATOM 1347 C TYR A 93 -9.293 7.829 -3.414 1.00 0.00 C ATOM 1348 O TYR A 93 -8.352 8.039 -4.180 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.554 8.331 -4.359 1.00 0.00 C ATOM 1350 CG TYR A 93 -11.998 6.898 -4.169 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.205 6.378 -2.897 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.209 6.065 -5.260 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.610 5.069 -2.718 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -12.615 4.755 -5.091 1.00 0.00 C ATOM 1355 CZ TYR A 93 -12.814 4.262 -3.818 1.00 0.00 C ATOM 1356 OH TYR A 93 -13.217 2.958 -3.646 1.00 0.00 O ATOM 0 H TYR A 93 -9.375 10.236 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.905 8.752 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.421 8.986 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.167 8.451 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.047 7.008 -2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.053 6.448 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.766 4.680 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.776 4.121 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.316 2.528 -4.521 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.341 6.784 -2.596 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.266 5.800 -2.551 1.00 0.00 C ATOM 1368 C ILE A 94 -8.821 4.379 -2.555 1.00 0.00 C ATOM 1369 O ILE A 94 -9.607 4.007 -1.685 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.381 5.989 -1.304 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.798 7.403 -1.277 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.270 4.951 -1.281 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.949 7.731 -2.485 1.00 0.00 C ATOM 0 H ILE A 94 -10.112 6.596 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.660 5.954 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.996 5.853 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.614 8.122 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.195 7.521 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.653 5.098 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.706 3.952 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.653 5.058 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.569 8.749 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.112 7.035 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.553 7.646 -3.388 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.404 3.591 -3.541 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.859 2.210 -3.658 1.00 0.00 C ATOM 1387 C GLU A 95 -7.730 1.236 -3.334 1.00 0.00 C ATOM 1388 O GLU A 95 -6.602 1.397 -3.802 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.390 1.942 -5.068 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.389 0.471 -5.449 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.486 0.124 -6.437 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -10.464 0.663 -7.563 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.367 -0.687 -6.083 1.00 0.00 O ATOM 0 H GLU A 95 -7.753 3.884 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.664 2.058 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.407 2.328 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.785 2.495 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.422 0.212 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.510 -0.133 -4.550 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.041 0.224 -2.530 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.054 -0.777 -2.143 1.00 0.00 C ATOM 1402 C VAL A 96 -7.356 -2.124 -2.788 1.00 0.00 C ATOM 1403 O VAL A 96 -8.254 -2.844 -2.351 1.00 0.00 O ATOM 1404 CB VAL A 96 -7.001 -0.952 -0.614 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.921 -1.950 -0.227 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.769 0.388 0.068 1.00 0.00 C ATOM 0 H VAL A 96 -8.969 0.076 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.086 -0.419 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.961 -1.344 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.899 -2.060 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.136 -2.915 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.952 -1.591 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.734 0.245 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.824 0.811 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.582 1.069 -0.182 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.601 -2.459 -3.829 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.789 -3.721 -4.534 1.00 0.00 C ATOM 1418 C GLN A 97 -5.793 -4.770 -4.049 1.00 0.00 C ATOM 1419 O GLN A 97 -4.627 -4.464 -3.803 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.636 -3.515 -6.042 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.873 -2.931 -6.705 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.772 -2.914 -8.217 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.360 -3.897 -8.834 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.149 -1.795 -8.824 1.00 0.00 N ATOM 0 H GLN A 97 -5.854 -1.874 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.797 -4.079 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.789 -2.854 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.401 -4.471 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.747 -3.511 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.028 -1.914 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.484 -1.004 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.103 -1.726 -9.841 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.262 -6.006 -3.913 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.412 -7.099 -3.456 1.00 0.00 C ATOM 1435 C GLU A 98 -4.369 -7.456 -4.511 1.00 0.00 C ATOM 1436 O GLU A 98 -4.560 -7.198 -5.700 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.259 -8.329 -3.123 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.601 -9.271 -2.129 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.419 -10.524 -1.882 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.215 -10.896 -2.770 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.264 -11.131 -0.803 1.00 0.00 O ATOM 0 H GLU A 98 -7.225 -6.275 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.894 -6.769 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.217 -8.001 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.469 -8.874 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.615 -9.552 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.450 -8.748 -1.184 1.00 0.00 H new