USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 3:sc= 0.511 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 49:sc= 0.123 USER MOD Single : A 46 MET CE :methyl 156:sc= -2.93 (180deg=-4.12!) USER MOD Single : A 48 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.5!) USER MOD Single : A 51 MET CE :methyl -173:sc= -8.64! (180deg=-8.75!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -7.14! C(o=-7.1!,f=-4.7!) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= 0.285 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 12:sc= -0.557 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -2.72 K(o=-2.7,f=-0.5) USER MOD Single : A 84 LYS NZ :NH3+ -126:sc= -0.0293 (180deg=-0.31) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 93 ASN : amide:sc= -3.16 K(o=-3.2,f=-8.1!) USER MOD Single : A 95 LYS NZ :NH3+ 158:sc= -0.175 (180deg=-0.522) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.986 -0.497 -11.735 1.00 0.00 N ATOM 143 CA GLU A 10 -8.253 -1.752 -11.736 1.00 0.00 C ATOM 144 C GLU A 10 -9.173 -2.954 -11.938 1.00 0.00 C ATOM 145 O GLU A 10 -10.239 -3.053 -11.329 1.00 0.00 O ATOM 146 CB GLU A 10 -7.449 -1.900 -10.444 1.00 0.00 C ATOM 147 CG GLU A 10 -8.301 -1.919 -9.184 1.00 0.00 C ATOM 148 CD GLU A 10 -7.553 -1.400 -7.972 1.00 0.00 C ATOM 149 OE1 GLU A 10 -7.548 -0.168 -7.762 1.00 0.00 O ATOM 150 OE2 GLU A 10 -6.972 -2.223 -7.234 1.00 0.00 O ATOM 0 HA GLU A 10 -7.565 -1.728 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.870 -2.822 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.736 -1.078 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.194 -1.314 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.637 -2.938 -8.991 1.00 0.00 H new ATOM 157 N LYS A 11 -8.739 -3.863 -12.806 1.00 0.00 N ATOM 158 CA LYS A 11 -9.493 -5.071 -13.121 1.00 0.00 C ATOM 159 C LYS A 11 -9.647 -5.956 -11.881 1.00 0.00 C ATOM 160 O LYS A 11 -9.578 -5.466 -10.755 1.00 0.00 O ATOM 161 CB LYS A 11 -8.777 -5.825 -14.248 1.00 0.00 C ATOM 162 CG LYS A 11 -9.025 -5.237 -15.631 1.00 0.00 C ATOM 163 CD LYS A 11 -8.909 -3.719 -15.638 1.00 0.00 C ATOM 164 CE LYS A 11 -9.133 -3.149 -17.030 1.00 0.00 C ATOM 165 NZ LYS A 11 -10.207 -2.117 -17.042 1.00 0.00 N ATOM 0 H LYS A 11 -7.856 -3.783 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.495 -4.797 -13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.705 -5.825 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.102 -6.865 -14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.309 -5.658 -16.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.018 -5.526 -15.974 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.638 -3.294 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.922 -3.427 -15.279 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.205 -2.711 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.397 -3.955 -17.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.329 -1.754 -18.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.099 -2.541 -16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.944 -1.335 -16.409 1.00 0.00 H new ATOM 179 N ASP A 12 -9.865 -7.257 -12.085 1.00 0.00 N ATOM 180 CA ASP A 12 -10.028 -8.180 -10.968 1.00 0.00 C ATOM 181 C ASP A 12 -9.193 -9.443 -11.155 1.00 0.00 C ATOM 182 O ASP A 12 -9.463 -10.473 -10.536 1.00 0.00 O ATOM 183 CB ASP A 12 -11.502 -8.552 -10.797 1.00 0.00 C ATOM 184 CG ASP A 12 -12.289 -7.476 -10.075 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.827 -7.015 -9.012 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.369 -7.095 -10.574 1.00 0.00 O ATOM 0 H ASP A 12 -9.932 -7.689 -13.007 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.676 -7.673 -10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.946 -8.727 -11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.576 -9.487 -10.242 1.00 0.00 H new ATOM 191 N GLY A 13 -8.181 -9.364 -12.013 1.00 0.00 N ATOM 192 CA GLY A 13 -7.328 -10.516 -12.263 1.00 0.00 C ATOM 193 C GLY A 13 -5.970 -10.397 -11.597 1.00 0.00 C ATOM 194 O GLY A 13 -5.787 -9.602 -10.678 1.00 0.00 O ATOM 0 H GLY A 13 -7.935 -8.526 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.826 -11.416 -11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.191 -10.635 -13.338 1.00 0.00 H new ATOM 198 N ALA A 14 -5.013 -11.198 -12.064 1.00 0.00 N ATOM 199 CA ALA A 14 -3.662 -11.190 -11.513 1.00 0.00 C ATOM 200 C ALA A 14 -2.951 -9.873 -11.806 1.00 0.00 C ATOM 201 O ALA A 14 -3.550 -8.936 -12.336 1.00 0.00 O ATOM 202 CB ALA A 14 -2.861 -12.357 -12.069 1.00 0.00 C ATOM 0 H ALA A 14 -5.151 -11.862 -12.826 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.740 -11.295 -10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.855 -12.340 -11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.350 -13.294 -11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.804 -12.275 -13.154 1.00 0.00 H new ATOM 208 N VAL A 15 -1.653 -9.830 -11.515 1.00 0.00 N ATOM 209 CA VAL A 15 -0.852 -8.649 -11.815 1.00 0.00 C ATOM 210 C VAL A 15 -0.707 -8.468 -13.322 1.00 0.00 C ATOM 211 O VAL A 15 -0.678 -9.448 -14.067 1.00 0.00 O ATOM 212 CB VAL A 15 0.547 -8.707 -11.185 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.328 -9.909 -11.695 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.297 -7.412 -11.462 1.00 0.00 C ATOM 0 H VAL A 15 -1.138 -10.593 -11.076 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.383 -7.801 -11.382 1.00 0.00 H new ATOM 0 HB VAL A 15 0.437 -8.822 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.315 -9.925 -11.232 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.794 -10.824 -11.441 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.436 -9.840 -12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.288 -7.462 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.394 -7.271 -12.538 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.746 -6.574 -11.035 1.00 0.00 H new ATOM 224 N GLU A 16 -0.574 -7.225 -13.767 1.00 0.00 N ATOM 225 CA GLU A 16 -0.381 -6.938 -15.183 1.00 0.00 C ATOM 226 C GLU A 16 0.703 -5.873 -15.363 1.00 0.00 C ATOM 227 O GLU A 16 1.107 -5.220 -14.402 1.00 0.00 O ATOM 228 CB GLU A 16 -1.691 -6.496 -15.852 1.00 0.00 C ATOM 229 CG GLU A 16 -2.547 -7.654 -16.338 1.00 0.00 C ATOM 230 CD GLU A 16 -3.986 -7.555 -15.864 1.00 0.00 C ATOM 231 OE1 GLU A 16 -4.221 -7.705 -14.646 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.875 -7.325 -16.709 1.00 0.00 O ATOM 0 H GLU A 16 -0.596 -6.400 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.058 -7.857 -15.672 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.268 -5.901 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.457 -5.848 -16.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.528 -7.683 -17.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.116 -8.592 -15.987 1.00 0.00 H new ATOM 239 N ALA A 17 1.195 -5.754 -16.594 1.00 0.00 N ATOM 240 CA ALA A 17 2.280 -4.818 -16.928 1.00 0.00 C ATOM 241 C ALA A 17 2.419 -3.690 -15.893 1.00 0.00 C ATOM 242 O ALA A 17 3.366 -3.686 -15.110 1.00 0.00 O ATOM 243 CB ALA A 17 2.058 -4.231 -18.313 1.00 0.00 C ATOM 0 H ALA A 17 0.859 -6.298 -17.389 1.00 0.00 H new ATOM 0 HA ALA A 17 3.210 -5.386 -16.916 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.867 -3.540 -18.549 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.040 -5.034 -19.050 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.108 -3.698 -18.334 1.00 0.00 H new ATOM 249 N GLU A 18 1.492 -2.735 -15.895 1.00 0.00 N ATOM 250 CA GLU A 18 1.563 -1.616 -14.947 1.00 0.00 C ATOM 251 C GLU A 18 0.346 -1.576 -14.023 1.00 0.00 C ATOM 252 O GLU A 18 -0.526 -0.717 -14.161 1.00 0.00 O ATOM 253 CB GLU A 18 1.688 -0.289 -15.701 1.00 0.00 C ATOM 254 CG GLU A 18 0.607 -0.074 -16.748 1.00 0.00 C ATOM 255 CD GLU A 18 0.933 1.064 -17.695 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.110 1.183 -18.097 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.012 1.837 -18.036 1.00 0.00 O ATOM 0 H GLU A 18 0.694 -2.708 -16.529 1.00 0.00 H new ATOM 0 HA GLU A 18 2.448 -1.767 -14.328 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.654 0.531 -14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.663 -0.248 -16.186 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.473 -0.992 -17.321 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.340 0.132 -16.250 1.00 0.00 H new ATOM 264 N ASP A 19 0.282 -2.530 -13.093 1.00 0.00 N ATOM 265 CA ASP A 19 -0.838 -2.628 -12.158 1.00 0.00 C ATOM 266 C ASP A 19 -0.526 -2.026 -10.791 1.00 0.00 C ATOM 267 O ASP A 19 0.546 -1.469 -10.570 1.00 0.00 O ATOM 268 CB ASP A 19 -1.201 -4.093 -11.972 1.00 0.00 C ATOM 269 CG ASP A 19 -1.761 -4.700 -13.230 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.421 -4.206 -14.327 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.534 -5.675 -13.123 1.00 0.00 O ATOM 0 H ASP A 19 0.996 -3.248 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.665 -2.061 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.316 -4.649 -11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.931 -4.186 -11.168 1.00 0.00 H new ATOM 276 N ARG A 20 -1.484 -2.171 -9.872 1.00 0.00 N ATOM 277 CA ARG A 20 -1.342 -1.676 -8.510 1.00 0.00 C ATOM 278 C ARG A 20 -1.971 -2.670 -7.535 1.00 0.00 C ATOM 279 O ARG A 20 -3.189 -2.846 -7.515 1.00 0.00 O ATOM 280 CB ARG A 20 -1.997 -0.304 -8.359 1.00 0.00 C ATOM 281 CG ARG A 20 -1.081 0.742 -7.746 1.00 0.00 C ATOM 282 CD ARG A 20 -0.730 1.843 -8.735 1.00 0.00 C ATOM 283 NE ARG A 20 -0.280 3.056 -8.056 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.209 4.250 -8.636 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.537 4.394 -9.915 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.192 5.305 -7.939 1.00 0.00 N ATOM 0 H ARG A 20 -2.375 -2.634 -10.055 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.281 -1.571 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.326 0.042 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.889 -0.402 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.564 1.180 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.166 0.263 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.052 1.492 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.601 2.072 -9.349 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.003 2.982 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.845 3.586 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.481 5.312 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.446 5.201 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.246 6.221 -8.385 1.00 0.00 H new ATOM 300 N VAL A 21 -1.136 -3.317 -6.730 1.00 0.00 N ATOM 301 CA VAL A 21 -1.606 -4.294 -5.753 1.00 0.00 C ATOM 302 C VAL A 21 -1.850 -3.660 -4.386 1.00 0.00 C ATOM 303 O VAL A 21 -1.425 -2.534 -4.129 1.00 0.00 O ATOM 304 CB VAL A 21 -0.589 -5.439 -5.588 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.371 -6.176 -6.900 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.729 -4.905 -5.061 1.00 0.00 C ATOM 0 H VAL A 21 -0.125 -3.182 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.549 -4.685 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.997 -6.147 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.352 -6.978 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.316 -6.598 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.008 -5.481 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.436 -5.727 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.131 -4.172 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.569 -4.431 -4.092 1.00 0.00 H new ATOM 316 N THR A 22 -2.499 -4.411 -3.501 1.00 0.00 N ATOM 317 CA THR A 22 -2.757 -3.949 -2.145 1.00 0.00 C ATOM 318 C THR A 22 -2.042 -4.872 -1.167 1.00 0.00 C ATOM 319 O THR A 22 -2.374 -6.052 -1.070 1.00 0.00 O ATOM 320 CB THR A 22 -4.256 -3.929 -1.847 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.934 -3.062 -2.738 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.574 -3.482 -0.435 1.00 0.00 C ATOM 0 H THR A 22 -2.856 -5.345 -3.702 1.00 0.00 H new ATOM 0 HA THR A 22 -2.383 -2.931 -2.039 1.00 0.00 H new ATOM 0 HB THR A 22 -4.592 -4.958 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.892 -3.065 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.654 -3.489 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.105 -4.162 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.193 -2.473 -0.278 1.00 0.00 H new ATOM 330 N ILE A 23 -1.044 -4.350 -0.467 1.00 0.00 N ATOM 331 CA ILE A 23 -0.284 -5.170 0.467 1.00 0.00 C ATOM 332 C ILE A 23 -0.227 -4.571 1.868 1.00 0.00 C ATOM 333 O ILE A 23 -0.364 -3.363 2.057 1.00 0.00 O ATOM 334 CB ILE A 23 1.164 -5.378 -0.019 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.885 -4.034 -0.128 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.194 -6.128 -1.350 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.262 -4.134 -0.740 1.00 0.00 C ATOM 0 H ILE A 23 -0.745 -3.377 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.812 -6.123 0.511 1.00 0.00 H new ATOM 0 HB ILE A 23 1.688 -5.990 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.279 -3.354 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.969 -3.595 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.228 -6.261 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.723 -7.104 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.652 -5.555 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.713 -3.143 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.885 -4.788 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.184 -4.543 -1.747 1.00 0.00 H new ATOM 349 N ASP A 24 0.021 -5.444 2.834 1.00 0.00 N ATOM 350 CA ASP A 24 0.156 -5.060 4.232 1.00 0.00 C ATOM 351 C ASP A 24 1.536 -5.500 4.705 1.00 0.00 C ATOM 352 O ASP A 24 1.867 -6.682 4.622 1.00 0.00 O ATOM 353 CB ASP A 24 -0.932 -5.738 5.075 1.00 0.00 C ATOM 354 CG ASP A 24 -0.770 -5.497 6.568 1.00 0.00 C ATOM 355 OD1 ASP A 24 0.382 -5.447 7.045 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.801 -5.362 7.259 1.00 0.00 O ATOM 0 H ASP A 24 0.135 -6.444 2.669 1.00 0.00 H new ATOM 0 HA ASP A 24 0.043 -3.981 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.909 -5.372 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.916 -6.811 4.883 1.00 0.00 H new ATOM 361 N PHE A 25 2.355 -4.571 5.179 1.00 0.00 N ATOM 362 CA PHE A 25 3.696 -4.937 5.619 1.00 0.00 C ATOM 363 C PHE A 25 4.128 -4.186 6.861 1.00 0.00 C ATOM 364 O PHE A 25 3.496 -3.216 7.279 1.00 0.00 O ATOM 365 CB PHE A 25 4.704 -4.714 4.497 1.00 0.00 C ATOM 366 CG PHE A 25 5.104 -3.283 4.271 1.00 0.00 C ATOM 367 CD1 PHE A 25 5.843 -2.591 5.223 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.731 -2.623 3.109 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.197 -1.277 5.022 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.082 -1.300 2.914 1.00 0.00 C ATOM 371 CZ PHE A 25 5.815 -0.630 3.869 1.00 0.00 C ATOM 0 H PHE A 25 2.124 -3.582 5.268 1.00 0.00 H new ATOM 0 HA PHE A 25 3.664 -5.996 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.600 -5.295 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.286 -5.108 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.143 -3.091 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.164 -3.145 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.775 -0.753 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.781 -0.790 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.090 0.403 3.713 1.00 0.00 H new ATOM 381 N THR A 26 5.218 -4.662 7.447 1.00 0.00 N ATOM 382 CA THR A 26 5.763 -4.056 8.659 1.00 0.00 C ATOM 383 C THR A 26 7.260 -4.328 8.800 1.00 0.00 C ATOM 384 O THR A 26 7.687 -5.480 8.873 1.00 0.00 O ATOM 385 CB THR A 26 5.017 -4.593 9.884 1.00 0.00 C ATOM 386 OG1 THR A 26 3.665 -4.172 9.870 1.00 0.00 O ATOM 387 CG2 THR A 26 5.620 -4.155 11.203 1.00 0.00 C ATOM 0 H THR A 26 5.744 -5.466 7.104 1.00 0.00 H new ATOM 0 HA THR A 26 5.626 -2.977 8.588 1.00 0.00 H new ATOM 0 HB THR A 26 5.098 -5.678 9.814 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.487 -3.669 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.039 -4.573 12.025 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.649 -4.509 11.268 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.606 -3.067 11.266 1.00 0.00 H new ATOM 395 N GLY A 27 8.056 -3.259 8.847 1.00 0.00 N ATOM 396 CA GLY A 27 9.497 -3.417 8.989 1.00 0.00 C ATOM 397 C GLY A 27 10.230 -2.116 9.264 1.00 0.00 C ATOM 398 O GLY A 27 9.643 -1.040 9.251 1.00 0.00 O ATOM 0 H GLY A 27 7.732 -2.293 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.699 -4.116 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.896 -3.863 8.078 1.00 0.00 H new ATOM 402 N SER A 28 11.532 -2.234 9.507 1.00 0.00 N ATOM 403 CA SER A 28 12.391 -1.082 9.782 1.00 0.00 C ATOM 404 C SER A 28 13.333 -0.844 8.607 1.00 0.00 C ATOM 405 O SER A 28 13.174 -1.442 7.544 1.00 0.00 O ATOM 406 CB SER A 28 13.210 -1.331 11.052 1.00 0.00 C ATOM 407 OG SER A 28 12.705 -2.439 11.779 1.00 0.00 O ATOM 0 H SER A 28 12.023 -3.128 9.519 1.00 0.00 H new ATOM 0 HA SER A 28 11.764 -0.202 9.925 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.252 -1.511 10.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.191 -0.441 11.681 1.00 0.00 H new ATOM 0 HG SER A 28 13.247 -2.577 12.584 1.00 0.00 H new ATOM 413 N VAL A 29 14.319 0.021 8.810 1.00 0.00 N ATOM 414 CA VAL A 29 15.293 0.339 7.781 1.00 0.00 C ATOM 415 C VAL A 29 16.537 -0.547 7.938 1.00 0.00 C ATOM 416 O VAL A 29 16.458 -1.745 7.674 1.00 0.00 O ATOM 417 CB VAL A 29 15.636 1.852 7.799 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.973 2.325 9.208 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.749 2.195 6.813 1.00 0.00 C ATOM 0 H VAL A 29 14.463 0.518 9.689 1.00 0.00 H new ATOM 0 HA VAL A 29 14.864 0.126 6.802 1.00 0.00 H new ATOM 0 HB VAL A 29 14.745 2.389 7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.209 3.389 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.118 2.155 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.833 1.770 9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.958 3.264 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.649 1.638 7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.436 1.928 5.804 1.00 0.00 H new ATOM 429 N ASP A 30 17.665 -0.004 8.381 1.00 0.00 N ATOM 430 CA ASP A 30 18.853 -0.821 8.569 1.00 0.00 C ATOM 431 C ASP A 30 18.912 -1.279 10.017 1.00 0.00 C ATOM 432 O ASP A 30 19.971 -1.283 10.642 1.00 0.00 O ATOM 433 CB ASP A 30 20.114 -0.036 8.201 1.00 0.00 C ATOM 434 CG ASP A 30 20.605 -0.357 6.802 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.285 -1.391 6.636 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.305 0.422 5.873 1.00 0.00 O ATOM 0 H ASP A 30 17.780 0.983 8.613 1.00 0.00 H new ATOM 0 HA ASP A 30 18.802 -1.691 7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.909 1.032 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.902 -0.260 8.920 1.00 0.00 H new ATOM 441 N GLY A 31 17.745 -1.631 10.555 1.00 0.00 N ATOM 442 CA GLY A 31 17.659 -2.050 11.937 1.00 0.00 C ATOM 443 C GLY A 31 17.262 -0.895 12.832 1.00 0.00 C ATOM 444 O GLY A 31 17.261 -1.015 14.057 1.00 0.00 O ATOM 0 H GLY A 31 16.857 -1.632 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.930 -2.855 12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.620 -2.451 12.259 1.00 0.00 H new ATOM 448 N GLU A 32 16.924 0.233 12.206 1.00 0.00 N ATOM 449 CA GLU A 32 16.521 1.430 12.922 1.00 0.00 C ATOM 450 C GLU A 32 15.141 1.887 12.474 1.00 0.00 C ATOM 451 O GLU A 32 14.468 1.217 11.695 1.00 0.00 O ATOM 452 CB GLU A 32 17.543 2.546 12.701 1.00 0.00 C ATOM 453 CG GLU A 32 18.973 2.127 13.003 1.00 0.00 C ATOM 454 CD GLU A 32 19.711 3.138 13.859 1.00 0.00 C ATOM 455 OE1 GLU A 32 19.202 3.478 14.948 1.00 0.00 O ATOM 456 OE2 GLU A 32 20.798 3.587 13.441 1.00 0.00 O ATOM 0 H GLU A 32 16.924 0.336 11.191 1.00 0.00 H new ATOM 0 HA GLU A 32 16.477 1.195 13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.482 2.884 11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.282 3.397 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.965 1.163 13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.512 1.988 12.066 1.00 0.00 H new ATOM 463 N GLU A 33 14.732 3.027 12.992 1.00 0.00 N ATOM 464 CA GLU A 33 13.431 3.600 12.691 1.00 0.00 C ATOM 465 C GLU A 33 13.226 3.818 11.195 1.00 0.00 C ATOM 466 O GLU A 33 13.986 4.529 10.538 1.00 0.00 O ATOM 467 CB GLU A 33 13.260 4.923 13.438 1.00 0.00 C ATOM 468 CG GLU A 33 13.193 4.761 14.949 1.00 0.00 C ATOM 469 CD GLU A 33 11.769 4.727 15.468 1.00 0.00 C ATOM 470 OE1 GLU A 33 10.958 5.571 15.033 1.00 0.00 O ATOM 471 OE2 GLU A 33 11.464 3.857 16.311 1.00 0.00 O ATOM 0 H GLU A 33 15.292 3.586 13.636 1.00 0.00 H new ATOM 0 HA GLU A 33 12.676 2.886 13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.091 5.583 13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.349 5.412 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.702 3.841 15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.729 5.583 15.423 1.00 0.00 H new ATOM 478 N PHE A 34 12.153 3.225 10.695 1.00 0.00 N ATOM 479 CA PHE A 34 11.767 3.358 9.292 1.00 0.00 C ATOM 480 C PHE A 34 10.547 4.264 9.169 1.00 0.00 C ATOM 481 O PHE A 34 9.788 4.424 10.123 1.00 0.00 O ATOM 482 CB PHE A 34 11.457 1.992 8.684 1.00 0.00 C ATOM 483 CG PHE A 34 11.172 2.034 7.209 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.150 2.421 6.310 1.00 0.00 C ATOM 485 CD2 PHE A 34 9.923 1.678 6.721 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.892 2.453 4.954 1.00 0.00 C ATOM 487 CE2 PHE A 34 9.661 1.708 5.365 1.00 0.00 C ATOM 488 CZ PHE A 34 10.646 2.096 4.481 1.00 0.00 C ATOM 0 H PHE A 34 11.525 2.639 11.245 1.00 0.00 H new ATOM 0 HA PHE A 34 12.602 3.800 8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.301 1.326 8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.597 1.563 9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 34 13.128 2.702 6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.147 1.374 7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.665 2.757 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.685 1.428 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.442 2.120 3.421 1.00 0.00 H new ATOM 498 N GLU A 35 10.358 4.849 7.992 1.00 0.00 N ATOM 499 CA GLU A 35 9.219 5.732 7.760 1.00 0.00 C ATOM 500 C GLU A 35 7.931 4.929 7.752 1.00 0.00 C ATOM 501 O GLU A 35 7.162 4.963 8.713 1.00 0.00 O ATOM 502 CB GLU A 35 9.380 6.484 6.437 1.00 0.00 C ATOM 503 CG GLU A 35 10.455 7.559 6.474 1.00 0.00 C ATOM 504 CD GLU A 35 9.880 8.955 6.601 1.00 0.00 C ATOM 505 OE1 GLU A 35 8.873 9.248 5.921 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.436 9.757 7.381 1.00 0.00 O ATOM 0 H GLU A 35 10.974 4.730 7.188 1.00 0.00 H new ATOM 0 HA GLU A 35 9.177 6.462 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.620 5.769 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.428 6.943 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.125 7.369 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.055 7.499 5.566 1.00 0.00 H new ATOM 513 N GLY A 36 7.714 4.184 6.679 1.00 0.00 N ATOM 514 CA GLY A 36 6.534 3.356 6.590 1.00 0.00 C ATOM 515 C GLY A 36 6.749 2.042 7.308 1.00 0.00 C ATOM 516 O GLY A 36 6.506 0.976 6.750 1.00 0.00 O ATOM 0 H GLY A 36 8.334 4.139 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.683 3.879 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.292 3.169 5.544 1.00 0.00 H new ATOM 520 N GLY A 37 7.231 2.123 8.546 1.00 0.00 N ATOM 521 CA GLY A 37 7.505 0.925 9.318 1.00 0.00 C ATOM 522 C GLY A 37 6.302 0.016 9.458 1.00 0.00 C ATOM 523 O GLY A 37 6.449 -1.169 9.762 1.00 0.00 O ATOM 0 H GLY A 37 7.436 2.998 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.316 0.373 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.853 1.212 10.310 1.00 0.00 H new ATOM 527 N LYS A 38 5.113 0.556 9.232 1.00 0.00 N ATOM 528 CA LYS A 38 3.897 -0.234 9.334 1.00 0.00 C ATOM 529 C LYS A 38 2.879 0.199 8.287 1.00 0.00 C ATOM 530 O LYS A 38 2.396 1.331 8.303 1.00 0.00 O ATOM 531 CB LYS A 38 3.300 -0.119 10.737 1.00 0.00 C ATOM 532 CG LYS A 38 3.499 -1.367 11.583 1.00 0.00 C ATOM 533 CD LYS A 38 3.805 -1.019 13.031 1.00 0.00 C ATOM 534 CE LYS A 38 5.269 -0.649 13.221 1.00 0.00 C ATOM 535 NZ LYS A 38 5.980 -1.627 14.090 1.00 0.00 N ATOM 0 H LYS A 38 4.966 1.533 8.978 1.00 0.00 H new ATOM 0 HA LYS A 38 4.154 -1.277 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.751 0.732 11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.233 0.088 10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.602 -1.984 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.315 -1.960 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.175 -0.187 13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.558 -1.867 13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.761 -0.602 12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.338 0.346 13.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.974 -1.340 14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.527 -1.654 15.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.936 -2.572 13.657 1.00 0.00 H new ATOM 549 N ALA A 39 2.555 -0.715 7.382 1.00 0.00 N ATOM 550 CA ALA A 39 1.589 -0.438 6.330 1.00 0.00 C ATOM 551 C ALA A 39 0.592 -1.579 6.215 1.00 0.00 C ATOM 552 O ALA A 39 0.952 -2.750 6.328 1.00 0.00 O ATOM 553 CB ALA A 39 2.287 -0.205 4.994 1.00 0.00 C ATOM 0 H ALA A 39 2.948 -1.656 7.356 1.00 0.00 H new ATOM 0 HA ALA A 39 1.051 0.473 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.542 -0.000 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.963 0.646 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.856 -1.094 4.721 1.00 0.00 H new ATOM 559 N SER A 40 -0.666 -1.229 5.994 1.00 0.00 N ATOM 560 CA SER A 40 -1.724 -2.222 5.869 1.00 0.00 C ATOM 561 C SER A 40 -2.245 -2.266 4.445 1.00 0.00 C ATOM 562 O SER A 40 -2.167 -3.294 3.774 1.00 0.00 O ATOM 563 CB SER A 40 -2.871 -1.907 6.832 1.00 0.00 C ATOM 564 OG SER A 40 -3.819 -2.962 6.861 1.00 0.00 O ATOM 0 H SER A 40 -0.980 -0.263 5.897 1.00 0.00 H new ATOM 0 HA SER A 40 -1.308 -3.197 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.474 -1.743 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.361 -0.982 6.528 1.00 0.00 H new ATOM 0 HG SER A 40 -3.354 -3.816 6.981 1.00 0.00 H new ATOM 570 N ASP A 41 -2.720 -1.126 3.974 1.00 0.00 N ATOM 571 CA ASP A 41 -3.195 -0.981 2.618 1.00 0.00 C ATOM 572 C ASP A 41 -2.124 -0.262 1.818 1.00 0.00 C ATOM 573 O ASP A 41 -2.294 0.901 1.451 1.00 0.00 O ATOM 574 CB ASP A 41 -4.508 -0.194 2.583 1.00 0.00 C ATOM 575 CG ASP A 41 -5.651 -0.940 3.244 1.00 0.00 C ATOM 576 OD1 ASP A 41 -6.228 -1.838 2.596 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.968 -0.626 4.411 1.00 0.00 O ATOM 0 H ASP A 41 -2.785 -0.273 4.529 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.391 -1.963 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.367 0.764 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.770 0.022 1.547 1.00 0.00 H new ATOM 582 N PHE A 42 -1.032 -0.945 1.533 1.00 0.00 N ATOM 583 CA PHE A 42 0.041 -0.344 0.753 1.00 0.00 C ATOM 584 C PHE A 42 -0.226 -0.571 -0.725 1.00 0.00 C ATOM 585 O PHE A 42 -0.096 -1.687 -1.226 1.00 0.00 O ATOM 586 CB PHE A 42 1.416 -0.917 1.144 1.00 0.00 C ATOM 587 CG PHE A 42 2.551 -0.469 0.248 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.414 0.664 -0.545 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.754 -1.174 0.191 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.439 1.086 -1.367 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.779 -0.751 -0.633 1.00 0.00 C ATOM 592 CZ PHE A 42 4.622 0.379 -1.411 1.00 0.00 C ATOM 0 H PHE A 42 -0.862 -1.907 1.825 1.00 0.00 H new ATOM 0 HA PHE A 42 0.064 0.725 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.641 -0.625 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.362 -2.006 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.490 1.223 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.885 -2.059 0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.315 1.970 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.705 -1.305 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.425 0.709 -2.053 1.00 0.00 H new ATOM 602 N VAL A 43 -0.611 0.492 -1.415 1.00 0.00 N ATOM 603 CA VAL A 43 -0.906 0.411 -2.831 1.00 0.00 C ATOM 604 C VAL A 43 0.372 0.477 -3.655 1.00 0.00 C ATOM 605 O VAL A 43 0.884 1.559 -3.946 1.00 0.00 O ATOM 606 CB VAL A 43 -1.848 1.549 -3.251 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.281 1.375 -4.697 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.054 1.612 -2.326 1.00 0.00 C ATOM 0 H VAL A 43 -0.726 1.422 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.395 -0.545 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.309 2.493 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.948 2.190 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.403 1.385 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.803 0.424 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.710 2.424 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.597 0.668 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.720 1.789 -1.304 1.00 0.00 H new ATOM 618 N LEU A 44 0.886 -0.688 -4.027 1.00 0.00 N ATOM 619 CA LEU A 44 2.107 -0.765 -4.813 1.00 0.00 C ATOM 620 C LEU A 44 1.791 -0.776 -6.301 1.00 0.00 C ATOM 621 O LEU A 44 0.911 -1.505 -6.749 1.00 0.00 O ATOM 622 CB LEU A 44 2.910 -2.013 -4.439 1.00 0.00 C ATOM 623 CG LEU A 44 4.390 -1.761 -4.148 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.139 -3.073 -4.015 1.00 0.00 C ATOM 625 CD2 LEU A 44 5.012 -0.902 -5.242 1.00 0.00 C ATOM 0 H LEU A 44 0.475 -1.592 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 44 2.707 0.118 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.455 -2.471 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.832 -2.735 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 44 4.466 -1.224 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.190 -2.872 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.713 -3.654 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.053 -3.637 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.065 -0.733 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.923 -1.413 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.494 0.056 -5.291 1.00 0.00 H new ATOM 637 N ALA A 45 2.525 0.033 -7.058 1.00 0.00 N ATOM 638 CA ALA A 45 2.333 0.118 -8.501 1.00 0.00 C ATOM 639 C ALA A 45 3.329 -0.777 -9.236 1.00 0.00 C ATOM 640 O ALA A 45 4.519 -0.466 -9.306 1.00 0.00 O ATOM 641 CB ALA A 45 2.480 1.560 -8.963 1.00 0.00 C ATOM 0 H ALA A 45 3.260 0.640 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 45 1.327 -0.229 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.335 1.613 -10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.734 2.179 -8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.477 1.922 -8.713 1.00 0.00 H new ATOM 647 N MET A 46 2.842 -1.893 -9.771 1.00 0.00 N ATOM 648 CA MET A 46 3.701 -2.833 -10.487 1.00 0.00 C ATOM 649 C MET A 46 4.129 -2.288 -11.842 1.00 0.00 C ATOM 650 O MET A 46 3.489 -2.544 -12.858 1.00 0.00 O ATOM 651 CB MET A 46 3.006 -4.184 -10.651 1.00 0.00 C ATOM 652 CG MET A 46 3.543 -5.248 -9.707 1.00 0.00 C ATOM 653 SD MET A 46 5.189 -5.829 -10.170 1.00 0.00 S ATOM 654 CE MET A 46 4.793 -7.147 -11.318 1.00 0.00 C ATOM 0 H MET A 46 1.861 -2.168 -9.723 1.00 0.00 H new ATOM 0 HA MET A 46 4.601 -2.972 -9.887 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.937 -4.059 -10.479 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.125 -4.525 -11.679 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.576 -4.845 -8.695 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.855 -6.094 -9.691 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.635 -7.309 -11.990 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.590 -8.063 -10.764 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.913 -6.871 -11.899 1.00 0.00 H new ATOM 664 N GLY A 47 5.232 -1.549 -11.843 1.00 0.00 N ATOM 665 CA GLY A 47 5.753 -0.983 -13.074 1.00 0.00 C ATOM 666 C GLY A 47 5.287 0.440 -13.307 1.00 0.00 C ATOM 667 O GLY A 47 4.667 0.739 -14.326 1.00 0.00 O ATOM 0 H GLY A 47 5.777 -1.331 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.842 -1.004 -13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.443 -1.604 -13.914 1.00 0.00 H new ATOM 671 N GLN A 48 5.591 1.320 -12.360 1.00 0.00 N ATOM 672 CA GLN A 48 5.204 2.721 -12.466 1.00 0.00 C ATOM 673 C GLN A 48 6.437 3.614 -12.479 1.00 0.00 C ATOM 674 O GLN A 48 6.721 4.287 -13.469 1.00 0.00 O ATOM 675 CB GLN A 48 4.286 3.107 -11.305 1.00 0.00 C ATOM 676 CG GLN A 48 3.479 4.369 -11.563 1.00 0.00 C ATOM 677 CD GLN A 48 2.434 4.182 -12.643 1.00 0.00 C ATOM 678 OE1 GLN A 48 1.269 3.905 -12.354 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.843 4.333 -13.896 1.00 0.00 N ATOM 0 H GLN A 48 6.105 1.088 -11.510 1.00 0.00 H new ATOM 0 HA GLN A 48 4.663 2.860 -13.402 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.602 2.283 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.888 3.248 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.990 4.678 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.154 5.175 -11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.818 4.563 -14.090 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.183 4.220 -14.665 1.00 0.00 H new ATOM 688 N GLY A 49 7.173 3.610 -11.372 1.00 0.00 N ATOM 689 CA GLY A 49 8.375 4.415 -11.277 1.00 0.00 C ATOM 690 C GLY A 49 9.628 3.598 -11.516 1.00 0.00 C ATOM 691 O GLY A 49 10.425 3.915 -12.399 1.00 0.00 O ATOM 0 H GLY A 49 6.957 3.063 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.327 5.225 -12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.426 4.875 -10.290 1.00 0.00 H new ATOM 695 N ARG A 50 9.795 2.541 -10.727 1.00 0.00 N ATOM 696 CA ARG A 50 10.952 1.658 -10.844 1.00 0.00 C ATOM 697 C ARG A 50 10.924 0.600 -9.747 1.00 0.00 C ATOM 698 O ARG A 50 11.825 0.535 -8.909 1.00 0.00 O ATOM 699 CB ARG A 50 12.254 2.458 -10.750 1.00 0.00 C ATOM 700 CG ARG A 50 12.447 3.136 -9.404 1.00 0.00 C ATOM 701 CD ARG A 50 13.848 2.913 -8.856 1.00 0.00 C ATOM 702 NE ARG A 50 14.868 3.038 -9.893 1.00 0.00 N ATOM 703 CZ ARG A 50 15.103 4.160 -10.569 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.419 5.266 -10.294 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.029 4.180 -11.517 1.00 0.00 N ATOM 0 H ARG A 50 9.138 2.273 -9.994 1.00 0.00 H new ATOM 0 HA ARG A 50 10.907 1.169 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.096 1.792 -10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.265 3.214 -11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.262 4.205 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.714 2.752 -8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.046 3.635 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.908 1.922 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 50 15.433 2.218 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.709 5.258 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.604 6.123 -10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.561 3.336 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.210 5.040 -12.035 1.00 0.00 H new ATOM 719 N MET A 51 9.885 -0.228 -9.752 1.00 0.00 N ATOM 720 CA MET A 51 9.746 -1.279 -8.749 1.00 0.00 C ATOM 721 C MET A 51 11.058 -2.029 -8.561 1.00 0.00 C ATOM 722 O MET A 51 11.558 -2.681 -9.480 1.00 0.00 O ATOM 723 CB MET A 51 8.625 -2.236 -9.137 1.00 0.00 C ATOM 724 CG MET A 51 7.304 -1.893 -8.474 1.00 0.00 C ATOM 725 SD MET A 51 6.227 -3.320 -8.295 1.00 0.00 S ATOM 726 CE MET A 51 6.962 -4.107 -6.875 1.00 0.00 C ATOM 0 H MET A 51 9.129 -0.193 -10.436 1.00 0.00 H new ATOM 0 HA MET A 51 9.489 -0.814 -7.797 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.498 -2.220 -10.219 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.910 -3.252 -8.864 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.496 -1.463 -7.491 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.794 -1.130 -9.062 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.487 -5.074 -6.708 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.028 -4.252 -7.050 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.821 -3.477 -5.996 1.00 0.00 H new ATOM 736 N ILE A 52 11.605 -1.932 -7.356 1.00 0.00 N ATOM 737 CA ILE A 52 12.859 -2.601 -7.021 1.00 0.00 C ATOM 738 C ILE A 52 12.677 -4.110 -6.945 1.00 0.00 C ATOM 739 O ILE A 52 11.552 -4.603 -6.884 1.00 0.00 O ATOM 740 CB ILE A 52 13.477 -2.093 -5.691 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.407 -1.559 -4.727 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.515 -1.019 -5.980 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.975 -0.991 -3.449 1.00 0.00 C ATOM 0 H ILE A 52 11.199 -1.394 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 52 13.550 -2.356 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 52 13.958 -2.940 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.828 -0.786 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.716 -2.366 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.945 -0.667 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.304 -1.435 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 52 14.041 -0.185 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.162 -0.633 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.530 -1.766 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.643 -0.163 -3.684 1.00 0.00 H new ATOM 755 N PRO A 53 13.786 -4.870 -6.933 1.00 0.00 N ATOM 756 CA PRO A 53 13.737 -6.332 -6.853 1.00 0.00 C ATOM 757 C PRO A 53 13.004 -6.801 -5.604 1.00 0.00 C ATOM 758 O PRO A 53 12.317 -7.822 -5.618 1.00 0.00 O ATOM 759 CB PRO A 53 15.212 -6.747 -6.796 1.00 0.00 C ATOM 760 CG PRO A 53 15.960 -5.587 -7.356 1.00 0.00 C ATOM 761 CD PRO A 53 15.168 -4.366 -6.983 1.00 0.00 C ATOM 0 HA PRO A 53 13.199 -6.771 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.523 -6.961 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.391 -7.651 -7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.969 -5.538 -6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.060 -5.672 -8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.484 -3.958 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.281 -3.571 -7.720 1.00 0.00 H new ATOM 769 N GLY A 54 13.153 -6.040 -4.525 1.00 0.00 N ATOM 770 CA GLY A 54 12.497 -6.383 -3.278 1.00 0.00 C ATOM 771 C GLY A 54 10.996 -6.516 -3.433 1.00 0.00 C ATOM 772 O GLY A 54 10.428 -7.581 -3.175 1.00 0.00 O ATOM 0 H GLY A 54 13.717 -5.191 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.905 -7.321 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.716 -5.618 -2.533 1.00 0.00 H new ATOM 776 N PHE A 55 10.346 -5.435 -3.861 1.00 0.00 N ATOM 777 CA PHE A 55 8.908 -5.452 -4.046 1.00 0.00 C ATOM 778 C PHE A 55 8.528 -6.316 -5.246 1.00 0.00 C ATOM 779 O PHE A 55 7.608 -7.129 -5.167 1.00 0.00 O ATOM 780 CB PHE A 55 8.366 -4.036 -4.239 1.00 0.00 C ATOM 781 CG PHE A 55 8.334 -3.189 -2.995 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.577 -3.561 -1.890 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.049 -2.006 -2.941 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.541 -2.773 -0.766 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.014 -1.211 -1.811 1.00 0.00 C ATOM 786 CZ PHE A 55 8.259 -1.596 -0.723 1.00 0.00 C ATOM 0 H PHE A 55 10.794 -4.546 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 55 8.463 -5.879 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.974 -3.530 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.355 -4.102 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.011 -4.480 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.641 -1.700 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.950 -3.075 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.577 -0.290 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.230 -0.977 0.161 1.00 0.00 H new ATOM 796 N GLU A 56 9.248 -6.143 -6.356 1.00 0.00 N ATOM 797 CA GLU A 56 8.983 -6.920 -7.566 1.00 0.00 C ATOM 798 C GLU A 56 9.037 -8.416 -7.269 1.00 0.00 C ATOM 799 O GLU A 56 8.529 -9.228 -8.038 1.00 0.00 O ATOM 800 CB GLU A 56 9.986 -6.568 -8.670 1.00 0.00 C ATOM 801 CG GLU A 56 9.331 -6.187 -9.988 1.00 0.00 C ATOM 802 CD GLU A 56 10.329 -5.666 -11.006 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.400 -6.291 -11.160 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.040 -4.634 -11.647 1.00 0.00 O ATOM 0 H GLU A 56 10.015 -5.476 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 56 7.981 -6.668 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.611 -5.741 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.646 -7.420 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.818 -7.056 -10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.572 -5.426 -9.806 1.00 0.00 H new ATOM 811 N ASP A 57 9.658 -8.772 -6.147 1.00 0.00 N ATOM 812 CA ASP A 57 9.776 -10.165 -5.748 1.00 0.00 C ATOM 813 C ASP A 57 8.473 -10.667 -5.127 1.00 0.00 C ATOM 814 O ASP A 57 7.717 -11.405 -5.760 1.00 0.00 O ATOM 815 CB ASP A 57 10.929 -10.334 -4.757 1.00 0.00 C ATOM 816 CG ASP A 57 12.190 -10.854 -5.419 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.374 -10.599 -6.628 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.994 -11.515 -4.728 1.00 0.00 O ATOM 0 H ASP A 57 10.087 -8.111 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 57 9.982 -10.758 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.140 -9.376 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.627 -11.021 -3.967 1.00 0.00 H new ATOM 823 N GLY A 58 8.230 -10.288 -3.875 1.00 0.00 N ATOM 824 CA GLY A 58 7.033 -10.738 -3.185 1.00 0.00 C ATOM 825 C GLY A 58 5.769 -10.102 -3.718 1.00 0.00 C ATOM 826 O GLY A 58 4.798 -10.793 -4.023 1.00 0.00 O ATOM 0 H GLY A 58 8.838 -9.679 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.954 -11.821 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.126 -10.513 -2.123 1.00 0.00 H new ATOM 830 N ILE A 59 5.774 -8.780 -3.822 1.00 0.00 N ATOM 831 CA ILE A 59 4.636 -8.034 -4.304 1.00 0.00 C ATOM 832 C ILE A 59 4.555 -8.057 -5.820 1.00 0.00 C ATOM 833 O ILE A 59 4.128 -7.091 -6.454 1.00 0.00 O ATOM 834 CB ILE A 59 4.710 -6.585 -3.790 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.064 -6.562 -2.300 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.392 -5.878 -4.018 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.525 -6.762 -1.986 1.00 0.00 C ATOM 0 H ILE A 59 6.574 -8.199 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 59 3.731 -8.507 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 59 5.491 -6.064 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.746 -5.607 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.490 -7.338 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.460 -4.854 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.165 -5.866 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.600 -6.404 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.673 -6.729 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.850 -7.730 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.110 -5.972 -2.456 1.00 0.00 H new ATOM 849 N LYS A 60 4.899 -9.208 -6.373 1.00 0.00 N ATOM 850 CA LYS A 60 4.787 -9.410 -7.810 1.00 0.00 C ATOM 851 C LYS A 60 3.379 -8.963 -8.193 1.00 0.00 C ATOM 852 O LYS A 60 3.173 -8.154 -9.095 1.00 0.00 O ATOM 853 CB LYS A 60 4.985 -10.883 -8.184 1.00 0.00 C ATOM 854 CG LYS A 60 6.426 -11.262 -8.481 1.00 0.00 C ATOM 855 CD LYS A 60 6.830 -10.871 -9.895 1.00 0.00 C ATOM 856 CE LYS A 60 7.528 -12.016 -10.614 1.00 0.00 C ATOM 857 NZ LYS A 60 8.192 -11.565 -11.868 1.00 0.00 N ATOM 0 H LYS A 60 5.255 -10.011 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 60 5.554 -8.843 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.618 -11.506 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.374 -11.110 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.086 -10.772 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.554 -12.336 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.945 -10.573 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.492 -10.006 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.270 -12.462 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.801 -12.794 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.655 -12.375 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.481 -11.163 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.904 -10.841 -11.643 1.00 0.00 H new ATOM 871 N GLY A 61 2.423 -9.572 -7.500 1.00 0.00 N ATOM 872 CA GLY A 61 1.017 -9.342 -7.735 1.00 0.00 C ATOM 873 C GLY A 61 0.406 -10.579 -8.335 1.00 0.00 C ATOM 874 O GLY A 61 -0.332 -10.530 -9.318 1.00 0.00 O ATOM 0 H GLY A 61 2.612 -10.243 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.516 -9.092 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.882 -8.493 -8.406 1.00 0.00 H new ATOM 878 N HIS A 62 0.754 -11.704 -7.725 1.00 0.00 N ATOM 879 CA HIS A 62 0.276 -13.008 -8.185 1.00 0.00 C ATOM 880 C HIS A 62 -0.422 -13.804 -7.083 1.00 0.00 C ATOM 881 O HIS A 62 -1.211 -14.703 -7.371 1.00 0.00 O ATOM 882 CB HIS A 62 1.430 -13.834 -8.776 1.00 0.00 C ATOM 883 CG HIS A 62 2.618 -14.009 -7.873 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.563 -14.995 -8.068 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.034 -13.314 -6.784 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.502 -14.899 -7.145 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.207 -13.885 -6.354 1.00 0.00 N ATOM 0 H HIS A 62 1.366 -11.744 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.463 -12.809 -8.961 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.050 -14.819 -9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.762 -13.357 -9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.534 -12.467 -6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.365 -15.541 -7.053 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.759 -13.576 -5.554 1.00 0.00 H new ATOM 895 N LYS A 63 -0.137 -13.480 -5.826 1.00 0.00 N ATOM 896 CA LYS A 63 -0.758 -14.187 -4.708 1.00 0.00 C ATOM 897 C LYS A 63 -1.631 -13.248 -3.886 1.00 0.00 C ATOM 898 O LYS A 63 -1.200 -12.725 -2.859 1.00 0.00 O ATOM 899 CB LYS A 63 0.307 -14.821 -3.810 1.00 0.00 C ATOM 900 CG LYS A 63 1.048 -15.978 -4.459 1.00 0.00 C ATOM 901 CD LYS A 63 2.554 -15.801 -4.347 1.00 0.00 C ATOM 902 CE LYS A 63 3.303 -17.019 -4.860 1.00 0.00 C ATOM 903 NZ LYS A 63 3.606 -17.985 -3.767 1.00 0.00 N ATOM 0 H LYS A 63 0.512 -12.741 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.387 -14.975 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.028 -14.056 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.167 -15.174 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.753 -16.914 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.765 -16.051 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.860 -14.921 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.823 -15.620 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.709 -17.514 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.233 -16.701 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.499 -18.956 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.582 -17.842 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.948 -17.832 -2.976 1.00 0.00 H new ATOM 917 N ALA A 64 -2.872 -13.069 -4.326 1.00 0.00 N ATOM 918 CA ALA A 64 -3.819 -12.225 -3.615 1.00 0.00 C ATOM 919 C ALA A 64 -4.052 -12.746 -2.196 1.00 0.00 C ATOM 920 O ALA A 64 -4.850 -13.661 -1.987 1.00 0.00 O ATOM 921 CB ALA A 64 -5.134 -12.148 -4.380 1.00 0.00 C ATOM 0 H ALA A 64 -3.244 -13.499 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.399 -11.222 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.834 -11.513 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.955 -11.727 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.555 -13.148 -4.482 1.00 0.00 H new ATOM 927 N GLY A 65 -3.356 -12.162 -1.224 1.00 0.00 N ATOM 928 CA GLY A 65 -3.509 -12.587 0.159 1.00 0.00 C ATOM 929 C GLY A 65 -2.335 -13.419 0.640 1.00 0.00 C ATOM 930 O GLY A 65 -2.511 -14.393 1.371 1.00 0.00 O ATOM 0 H GLY A 65 -2.690 -11.403 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.615 -11.709 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.427 -13.166 0.259 1.00 0.00 H new ATOM 934 N GLU A 66 -1.134 -13.040 0.213 1.00 0.00 N ATOM 935 CA GLU A 66 0.079 -13.762 0.586 1.00 0.00 C ATOM 936 C GLU A 66 0.808 -13.095 1.753 1.00 0.00 C ATOM 937 O GLU A 66 0.557 -11.936 2.078 1.00 0.00 O ATOM 938 CB GLU A 66 1.013 -13.850 -0.623 1.00 0.00 C ATOM 939 CG GLU A 66 1.925 -15.067 -0.619 1.00 0.00 C ATOM 940 CD GLU A 66 1.167 -16.370 -0.786 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.366 -16.712 0.109 1.00 0.00 O ATOM 942 OE2 GLU A 66 1.378 -17.050 -1.812 1.00 0.00 O ATOM 0 H GLU A 66 -0.974 -12.235 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.214 -14.761 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.412 -13.863 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.627 -12.950 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.655 -14.971 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.483 -15.094 0.317 1.00 0.00 H new ATOM 949 N GLU A 67 1.733 -13.841 2.357 1.00 0.00 N ATOM 950 CA GLU A 67 2.538 -13.342 3.469 1.00 0.00 C ATOM 951 C GLU A 67 3.999 -13.726 3.247 1.00 0.00 C ATOM 952 O GLU A 67 4.370 -14.895 3.349 1.00 0.00 O ATOM 953 CB GLU A 67 2.039 -13.903 4.803 1.00 0.00 C ATOM 954 CG GLU A 67 2.817 -13.392 6.006 1.00 0.00 C ATOM 955 CD GLU A 67 2.770 -14.348 7.181 1.00 0.00 C ATOM 956 OE1 GLU A 67 3.640 -15.242 7.256 1.00 0.00 O ATOM 957 OE2 GLU A 67 1.866 -14.200 8.030 1.00 0.00 O ATOM 0 H GLU A 67 1.944 -14.803 2.090 1.00 0.00 H new ATOM 0 HA GLU A 67 2.448 -12.256 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.987 -13.646 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.100 -14.991 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.855 -13.227 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.413 -12.427 6.312 1.00 0.00 H new ATOM 964 N PHE A 68 4.810 -12.737 2.901 1.00 0.00 N ATOM 965 CA PHE A 68 6.223 -12.958 2.615 1.00 0.00 C ATOM 966 C PHE A 68 7.081 -11.837 3.195 1.00 0.00 C ATOM 967 O PHE A 68 6.565 -10.791 3.586 1.00 0.00 O ATOM 968 CB PHE A 68 6.421 -13.025 1.106 1.00 0.00 C ATOM 969 CG PHE A 68 5.815 -11.844 0.416 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.481 -10.635 0.400 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.572 -11.934 -0.186 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.924 -9.532 -0.210 1.00 0.00 C ATOM 973 CE2 PHE A 68 4.006 -10.833 -0.796 1.00 0.00 C ATOM 974 CZ PHE A 68 4.682 -9.634 -0.809 1.00 0.00 C ATOM 0 H PHE A 68 4.512 -11.766 2.811 1.00 0.00 H new ATOM 0 HA PHE A 68 6.531 -13.896 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.486 -13.071 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.973 -13.941 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.449 -10.553 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.040 -12.874 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.455 -8.592 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.035 -10.912 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.242 -8.772 -1.288 1.00 0.00 H new ATOM 984 N THR A 69 8.393 -12.056 3.236 1.00 0.00 N ATOM 985 CA THR A 69 9.319 -11.056 3.758 1.00 0.00 C ATOM 986 C THR A 69 10.404 -10.734 2.732 1.00 0.00 C ATOM 987 O THR A 69 11.159 -11.616 2.322 1.00 0.00 O ATOM 988 CB THR A 69 9.963 -11.547 5.054 1.00 0.00 C ATOM 989 OG1 THR A 69 8.978 -11.972 5.977 1.00 0.00 O ATOM 990 CG2 THR A 69 10.810 -10.493 5.736 1.00 0.00 C ATOM 0 H THR A 69 8.838 -12.916 2.914 1.00 0.00 H new ATOM 0 HA THR A 69 8.752 -10.148 3.965 1.00 0.00 H new ATOM 0 HB THR A 69 10.608 -12.375 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.412 -12.284 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.238 -10.905 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.613 -10.182 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.190 -9.631 5.983 1.00 0.00 H new ATOM 998 N ILE A 70 10.485 -9.469 2.327 1.00 0.00 N ATOM 999 CA ILE A 70 11.489 -9.050 1.358 1.00 0.00 C ATOM 1000 C ILE A 70 12.242 -7.829 1.856 1.00 0.00 C ATOM 1001 O ILE A 70 11.699 -7.023 2.611 1.00 0.00 O ATOM 1002 CB ILE A 70 10.867 -8.738 -0.022 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.006 -7.469 0.037 1.00 0.00 C ATOM 1004 CG2 ILE A 70 10.042 -9.919 -0.514 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.757 -7.620 0.878 1.00 0.00 C ATOM 0 H ILE A 70 9.871 -8.722 2.653 1.00 0.00 H new ATOM 0 HA ILE A 70 12.181 -9.884 1.242 1.00 0.00 H new ATOM 0 HB ILE A 70 11.679 -8.563 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.606 -6.652 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.719 -7.188 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.611 -9.682 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.681 -10.797 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.241 -10.125 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.199 -6.683 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.135 -8.415 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.036 -7.871 1.902 1.00 0.00 H new ATOM 1017 N ASP A 71 13.459 -7.644 1.362 1.00 0.00 N ATOM 1018 CA ASP A 71 14.239 -6.464 1.683 1.00 0.00 C ATOM 1019 C ASP A 71 14.095 -5.488 0.527 1.00 0.00 C ATOM 1020 O ASP A 71 14.106 -5.914 -0.628 1.00 0.00 O ATOM 1021 CB ASP A 71 15.711 -6.819 1.904 1.00 0.00 C ATOM 1022 CG ASP A 71 15.901 -7.833 3.015 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.397 -7.590 4.132 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.553 -8.868 2.767 1.00 0.00 O ATOM 0 H ASP A 71 13.925 -8.300 0.736 1.00 0.00 H new ATOM 0 HA ASP A 71 13.875 -6.018 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.129 -7.215 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.268 -5.913 2.143 1.00 0.00 H new ATOM 1029 N VAL A 72 13.988 -4.196 0.790 1.00 0.00 N ATOM 1030 CA VAL A 72 13.880 -3.240 -0.310 1.00 0.00 C ATOM 1031 C VAL A 72 14.734 -2.009 -0.043 1.00 0.00 C ATOM 1032 O VAL A 72 14.948 -1.629 1.104 1.00 0.00 O ATOM 1033 CB VAL A 72 12.422 -2.810 -0.568 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.566 -4.003 -0.961 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.840 -2.112 0.645 1.00 0.00 C ATOM 0 H VAL A 72 13.973 -3.789 1.725 1.00 0.00 H new ATOM 0 HA VAL A 72 14.244 -3.749 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 72 12.424 -2.104 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.542 -3.674 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.964 -4.453 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.577 -4.739 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.811 -1.819 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.859 -2.790 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.431 -1.225 0.873 1.00 0.00 H new ATOM 1045 N THR A 73 15.220 -1.374 -1.104 1.00 0.00 N ATOM 1046 CA THR A 73 16.041 -0.180 -0.971 1.00 0.00 C ATOM 1047 C THR A 73 15.844 0.698 -2.199 1.00 0.00 C ATOM 1048 O THR A 73 15.999 0.239 -3.332 1.00 0.00 O ATOM 1049 CB THR A 73 17.518 -0.561 -0.809 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.756 -1.084 0.485 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.473 0.598 -1.018 1.00 0.00 C ATOM 0 H THR A 73 15.058 -1.668 -2.067 1.00 0.00 H new ATOM 0 HA THR A 73 15.739 0.373 -0.081 1.00 0.00 H new ATOM 0 HB THR A 73 17.708 -1.304 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.900 -1.267 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.499 0.253 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.349 0.994 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.259 1.382 -0.291 1.00 0.00 H new ATOM 1059 N PHE A 74 15.485 1.952 -1.975 1.00 0.00 N ATOM 1060 CA PHE A 74 15.246 2.876 -3.071 1.00 0.00 C ATOM 1061 C PHE A 74 16.546 3.514 -3.559 1.00 0.00 C ATOM 1062 O PHE A 74 17.319 4.050 -2.766 1.00 0.00 O ATOM 1063 CB PHE A 74 14.245 3.937 -2.631 1.00 0.00 C ATOM 1064 CG PHE A 74 12.854 3.389 -2.543 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.545 2.387 -1.636 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.867 3.847 -3.394 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.271 1.850 -1.584 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.590 3.322 -3.343 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.290 2.319 -2.439 1.00 0.00 C ATOM 0 H PHE A 74 15.353 2.352 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 74 14.830 2.321 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.541 4.335 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.264 4.769 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.307 2.022 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.096 4.625 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.043 1.066 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.826 3.695 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.294 1.904 -2.401 1.00 0.00 H new ATOM 1079 N PRO A 75 16.809 3.452 -4.880 1.00 0.00 N ATOM 1080 CA PRO A 75 18.027 4.017 -5.468 1.00 0.00 C ATOM 1081 C PRO A 75 18.084 5.533 -5.354 1.00 0.00 C ATOM 1082 O PRO A 75 17.164 6.165 -4.836 1.00 0.00 O ATOM 1083 CB PRO A 75 17.946 3.603 -6.943 1.00 0.00 C ATOM 1084 CG PRO A 75 16.499 3.350 -7.191 1.00 0.00 C ATOM 1085 CD PRO A 75 15.945 2.824 -5.898 1.00 0.00 C ATOM 0 HA PRO A 75 18.920 3.657 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.327 4.389 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.542 2.711 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.988 4.265 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.361 2.629 -7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.899 3.102 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.994 1.736 -5.852 1.00 0.00 H new ATOM 1093 N GLU A 76 19.174 6.112 -5.847 1.00 0.00 N ATOM 1094 CA GLU A 76 19.357 7.555 -5.809 1.00 0.00 C ATOM 1095 C GLU A 76 18.522 8.246 -6.887 1.00 0.00 C ATOM 1096 O GLU A 76 18.451 9.475 -6.936 1.00 0.00 O ATOM 1097 CB GLU A 76 20.836 7.907 -5.987 1.00 0.00 C ATOM 1098 CG GLU A 76 21.465 7.288 -7.223 1.00 0.00 C ATOM 1099 CD GLU A 76 22.841 7.852 -7.521 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.833 7.310 -6.989 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.926 8.835 -8.286 1.00 0.00 O ATOM 0 H GLU A 76 19.944 5.601 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 76 19.019 7.911 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.939 8.991 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.387 7.579 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.540 6.209 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.814 7.456 -8.081 1.00 0.00 H new ATOM 1108 N GLU A 77 17.891 7.453 -7.748 1.00 0.00 N ATOM 1109 CA GLU A 77 17.065 7.992 -8.820 1.00 0.00 C ATOM 1110 C GLU A 77 15.637 8.228 -8.334 1.00 0.00 C ATOM 1111 O GLU A 77 15.002 9.219 -8.698 1.00 0.00 O ATOM 1112 CB GLU A 77 17.066 7.038 -10.017 1.00 0.00 C ATOM 1113 CG GLU A 77 18.408 6.366 -10.259 1.00 0.00 C ATOM 1114 CD GLU A 77 18.649 6.049 -11.723 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.085 6.755 -12.584 1.00 0.00 O ATOM 1116 OE2 GLU A 77 19.404 5.095 -12.007 1.00 0.00 O ATOM 0 H GLU A 77 17.937 6.434 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 77 17.484 8.949 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.308 6.271 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.779 7.591 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.205 7.015 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.458 5.444 -9.679 1.00 0.00 H new ATOM 1123 N TYR A 78 15.142 7.316 -7.503 1.00 0.00 N ATOM 1124 CA TYR A 78 13.792 7.426 -6.953 1.00 0.00 C ATOM 1125 C TYR A 78 13.665 8.696 -6.122 1.00 0.00 C ATOM 1126 O TYR A 78 12.990 9.649 -6.515 1.00 0.00 O ATOM 1127 CB TYR A 78 13.474 6.204 -6.085 1.00 0.00 C ATOM 1128 CG TYR A 78 12.007 5.840 -6.044 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.098 6.580 -5.292 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.534 4.752 -6.756 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.760 6.238 -5.259 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.197 4.405 -6.731 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.314 5.151 -5.981 1.00 0.00 C ATOM 1134 OH TYR A 78 7.981 4.809 -5.953 1.00 0.00 O ATOM 0 H TYR A 78 15.655 6.490 -7.194 1.00 0.00 H new ATOM 0 HA TYR A 78 13.082 7.470 -7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.039 5.350 -6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.819 6.394 -5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.444 7.433 -4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.223 4.163 -7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.066 6.820 -4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.846 3.554 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 78 7.834 4.020 -6.516 1.00 0.00 H new ATOM 1144 N HIS A 79 14.338 8.696 -4.975 1.00 0.00 N ATOM 1145 CA HIS A 79 14.348 9.829 -4.056 1.00 0.00 C ATOM 1146 C HIS A 79 13.019 10.593 -4.026 1.00 0.00 C ATOM 1147 O HIS A 79 12.951 11.748 -4.446 1.00 0.00 O ATOM 1148 CB HIS A 79 15.498 10.769 -4.408 1.00 0.00 C ATOM 1149 CG HIS A 79 16.810 10.289 -3.878 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.903 11.110 -3.708 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.197 9.058 -3.463 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.906 10.408 -3.211 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.504 9.160 -3.053 1.00 0.00 N ATOM 0 H HIS A 79 14.896 7.904 -4.655 1.00 0.00 H new ATOM 0 HA HIS A 79 14.491 9.427 -3.053 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.562 10.870 -5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.288 11.761 -4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.591 8.164 -3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.888 10.790 -2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.072 8.396 -2.686 1.00 0.00 H new ATOM 1161 N ALA A 80 11.974 9.947 -3.513 1.00 0.00 N ATOM 1162 CA ALA A 80 10.661 10.573 -3.412 1.00 0.00 C ATOM 1163 C ALA A 80 10.541 11.371 -2.115 1.00 0.00 C ATOM 1164 O ALA A 80 11.160 11.035 -1.107 1.00 0.00 O ATOM 1165 CB ALA A 80 9.565 9.522 -3.488 1.00 0.00 C ATOM 0 H ALA A 80 12.013 8.990 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 80 10.545 11.260 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.591 10.006 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.633 8.993 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.684 8.813 -2.669 1.00 0.00 H new ATOM 1171 N GLU A 81 9.741 12.431 -2.148 1.00 0.00 N ATOM 1172 CA GLU A 81 9.543 13.285 -0.979 1.00 0.00 C ATOM 1173 C GLU A 81 9.022 12.507 0.231 1.00 0.00 C ATOM 1174 O GLU A 81 9.031 13.018 1.351 1.00 0.00 O ATOM 1175 CB GLU A 81 8.573 14.419 -1.317 1.00 0.00 C ATOM 1176 CG GLU A 81 8.944 15.750 -0.681 1.00 0.00 C ATOM 1177 CD GLU A 81 8.811 16.913 -1.645 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.673 17.378 -1.860 1.00 0.00 O ATOM 1179 OE2 GLU A 81 9.846 17.358 -2.184 1.00 0.00 O ATOM 0 H GLU A 81 9.217 12.721 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 81 10.518 13.694 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.534 14.542 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.571 14.138 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.305 15.925 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.970 15.701 -0.316 1.00 0.00 H new ATOM 1186 N ASN A 82 8.550 11.284 0.009 1.00 0.00 N ATOM 1187 CA ASN A 82 8.011 10.472 1.100 1.00 0.00 C ATOM 1188 C ASN A 82 9.053 9.518 1.687 1.00 0.00 C ATOM 1189 O ASN A 82 9.224 9.454 2.905 1.00 0.00 O ATOM 1190 CB ASN A 82 6.778 9.669 0.643 1.00 0.00 C ATOM 1191 CG ASN A 82 6.341 9.981 -0.776 1.00 0.00 C ATOM 1192 OD1 ASN A 82 5.359 10.692 -0.994 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.069 9.449 -1.750 1.00 0.00 N ATOM 0 H ASN A 82 8.529 10.835 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 82 7.715 11.172 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.999 8.604 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.950 9.873 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.823 9.623 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.875 8.866 -1.524 1.00 0.00 H new ATOM 1200 N LEU A 83 9.726 8.758 0.827 1.00 0.00 N ATOM 1201 CA LEU A 83 10.721 7.789 1.295 1.00 0.00 C ATOM 1202 C LEU A 83 12.008 7.812 0.469 1.00 0.00 C ATOM 1203 O LEU A 83 12.709 6.809 0.376 1.00 0.00 O ATOM 1204 CB LEU A 83 10.113 6.373 1.323 1.00 0.00 C ATOM 1205 CG LEU A 83 9.917 5.651 -0.028 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.480 6.592 -1.140 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.177 4.913 -0.433 1.00 0.00 C ATOM 0 H LEU A 83 9.605 8.791 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 83 11.000 8.081 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.749 5.747 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.142 6.434 1.815 1.00 0.00 H new ATOM 0 HG LEU A 83 9.112 4.932 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.358 6.030 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.532 7.058 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.236 7.364 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.015 4.412 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.999 5.622 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.425 4.173 0.327 1.00 0.00 H new ATOM 1219 N LYS A 84 12.321 8.957 -0.121 1.00 0.00 N ATOM 1220 CA LYS A 84 13.530 9.105 -0.943 1.00 0.00 C ATOM 1221 C LYS A 84 14.712 8.268 -0.440 1.00 0.00 C ATOM 1222 O LYS A 84 15.141 8.396 0.706 1.00 0.00 O ATOM 1223 CB LYS A 84 13.952 10.573 -1.008 1.00 0.00 C ATOM 1224 CG LYS A 84 14.148 11.207 0.358 1.00 0.00 C ATOM 1225 CD LYS A 84 14.204 12.722 0.265 1.00 0.00 C ATOM 1226 CE LYS A 84 12.816 13.336 0.330 1.00 0.00 C ATOM 1227 NZ LYS A 84 12.203 13.185 1.681 1.00 0.00 N ATOM 0 H LYS A 84 11.757 9.804 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 84 13.267 8.737 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.881 10.651 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.197 11.136 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.332 10.912 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.070 10.834 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.815 13.115 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.688 13.013 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.875 14.394 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.175 12.863 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.271 12.732 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.818 12.596 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.091 14.122 2.118 1.00 0.00 H new ATOM 1241 N GLY A 85 15.245 7.431 -1.330 1.00 0.00 N ATOM 1242 CA GLY A 85 16.390 6.591 -1.004 1.00 0.00 C ATOM 1243 C GLY A 85 16.308 5.927 0.358 1.00 0.00 C ATOM 1244 O GLY A 85 17.214 6.068 1.178 1.00 0.00 O ATOM 0 H GLY A 85 14.899 7.319 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.488 5.819 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.295 7.197 -1.046 1.00 0.00 H new ATOM 1248 N LYS A 86 15.223 5.201 0.602 1.00 0.00 N ATOM 1249 CA LYS A 86 15.037 4.514 1.876 1.00 0.00 C ATOM 1250 C LYS A 86 15.428 3.038 1.793 1.00 0.00 C ATOM 1251 O LYS A 86 14.609 2.192 1.432 1.00 0.00 O ATOM 1252 CB LYS A 86 13.585 4.633 2.333 1.00 0.00 C ATOM 1253 CG LYS A 86 13.433 5.195 3.739 1.00 0.00 C ATOM 1254 CD LYS A 86 13.067 6.670 3.713 1.00 0.00 C ATOM 1255 CE LYS A 86 14.141 7.506 3.036 1.00 0.00 C ATOM 1256 NZ LYS A 86 14.981 8.241 4.021 1.00 0.00 N ATOM 0 H LYS A 86 14.460 5.073 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 86 15.693 4.995 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.044 5.272 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.118 3.649 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.664 4.638 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.365 5.060 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.120 6.800 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.918 7.026 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.775 6.859 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.672 8.218 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.700 8.798 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.380 8.878 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.450 7.561 4.653 1.00 0.00 H new ATOM 1270 N ALA A 87 16.670 2.730 2.153 1.00 0.00 N ATOM 1271 CA ALA A 87 17.141 1.350 2.146 1.00 0.00 C ATOM 1272 C ALA A 87 16.697 0.650 3.426 1.00 0.00 C ATOM 1273 O ALA A 87 17.383 0.711 4.444 1.00 0.00 O ATOM 1274 CB ALA A 87 18.657 1.307 2.005 1.00 0.00 C ATOM 0 H ALA A 87 17.365 3.414 2.452 1.00 0.00 H new ATOM 0 HA ALA A 87 16.708 0.829 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.993 0.270 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.949 1.786 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.115 1.834 2.842 1.00 0.00 H new ATOM 1280 N ALA A 88 15.525 0.017 3.380 1.00 0.00 N ATOM 1281 CA ALA A 88 14.981 -0.650 4.559 1.00 0.00 C ATOM 1282 C ALA A 88 14.536 -2.089 4.287 1.00 0.00 C ATOM 1283 O ALA A 88 14.597 -2.581 3.163 1.00 0.00 O ATOM 1284 CB ALA A 88 13.812 0.163 5.107 1.00 0.00 C ATOM 0 H ALA A 88 14.940 -0.047 2.547 1.00 0.00 H new ATOM 0 HA ALA A 88 15.784 -0.708 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.404 -0.334 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.158 1.160 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.037 0.245 4.345 1.00 0.00 H new ATOM 1290 N LYS A 89 14.069 -2.742 5.348 1.00 0.00 N ATOM 1291 CA LYS A 89 13.580 -4.119 5.274 1.00 0.00 C ATOM 1292 C LYS A 89 12.159 -4.185 5.817 1.00 0.00 C ATOM 1293 O LYS A 89 11.884 -3.659 6.894 1.00 0.00 O ATOM 1294 CB LYS A 89 14.482 -5.062 6.073 1.00 0.00 C ATOM 1295 CG LYS A 89 15.935 -5.048 5.625 1.00 0.00 C ATOM 1296 CD LYS A 89 16.815 -4.293 6.608 1.00 0.00 C ATOM 1297 CE LYS A 89 17.814 -5.213 7.292 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.165 -4.594 7.393 1.00 0.00 N ATOM 0 H LYS A 89 14.018 -2.334 6.282 1.00 0.00 H new ATOM 0 HA LYS A 89 13.591 -4.435 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.434 -4.789 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.095 -6.078 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.296 -6.072 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.009 -4.586 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.350 -3.501 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.190 -3.811 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.454 -5.461 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.884 -6.148 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.852 -5.309 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.449 -4.227 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.139 -3.813 8.080 1.00 0.00 H new ATOM 1312 N PHE A 90 11.279 -4.913 5.130 1.00 0.00 N ATOM 1313 CA PHE A 90 9.915 -5.120 5.627 1.00 0.00 C ATOM 1314 C PHE A 90 9.445 -6.536 5.348 1.00 0.00 C ATOM 1315 O PHE A 90 10.077 -7.280 4.598 1.00 0.00 O ATOM 1316 CB PHE A 90 8.890 -4.157 5.019 1.00 0.00 C ATOM 1317 CG PHE A 90 9.449 -2.936 4.375 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.271 -2.079 5.081 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.122 -2.628 3.066 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.770 -0.935 4.498 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.613 -1.478 2.478 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.439 -0.632 3.194 1.00 0.00 C ATOM 0 H PHE A 90 11.480 -5.365 4.238 1.00 0.00 H new ATOM 0 HA PHE A 90 9.971 -4.930 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.305 -4.700 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.200 -3.847 5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.526 -2.309 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.481 -3.289 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.418 -0.278 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.351 -1.240 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.825 0.265 2.733 1.00 0.00 H new ATOM 1332 N ALA A 91 8.282 -6.869 5.890 1.00 0.00 N ATOM 1333 CA ALA A 91 7.657 -8.151 5.638 1.00 0.00 C ATOM 1334 C ALA A 91 6.259 -7.837 5.131 1.00 0.00 C ATOM 1335 O ALA A 91 5.388 -7.414 5.891 1.00 0.00 O ATOM 1336 CB ALA A 91 7.607 -9.002 6.900 1.00 0.00 C ATOM 0 H ALA A 91 7.751 -6.259 6.512 1.00 0.00 H new ATOM 0 HA ALA A 91 8.224 -8.731 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.132 -9.957 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.620 -9.176 7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.033 -8.482 7.667 1.00 0.00 H new ATOM 1342 N ILE A 92 6.084 -7.963 3.822 1.00 0.00 N ATOM 1343 CA ILE A 92 4.829 -7.606 3.180 1.00 0.00 C ATOM 1344 C ILE A 92 3.843 -8.773 3.096 1.00 0.00 C ATOM 1345 O ILE A 92 4.225 -9.942 3.145 1.00 0.00 O ATOM 1346 CB ILE A 92 5.090 -7.068 1.739 1.00 0.00 C ATOM 1347 CG1 ILE A 92 5.580 -5.612 1.732 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.846 -7.180 0.874 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.824 -5.370 2.524 1.00 0.00 C ATOM 0 H ILE A 92 6.799 -8.311 3.183 1.00 0.00 H new ATOM 0 HA ILE A 92 4.380 -6.834 3.805 1.00 0.00 H new ATOM 0 HB ILE A 92 5.880 -7.695 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.757 -5.307 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.787 -4.974 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.061 -6.797 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.544 -8.225 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.039 -6.598 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.095 -4.316 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.650 -5.639 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.635 -5.978 2.123 1.00 0.00 H new ATOM 1361 N ASN A 93 2.571 -8.416 2.924 1.00 0.00 N ATOM 1362 CA ASN A 93 1.491 -9.380 2.772 1.00 0.00 C ATOM 1363 C ASN A 93 0.618 -8.968 1.587 1.00 0.00 C ATOM 1364 O ASN A 93 -0.156 -8.016 1.682 1.00 0.00 O ATOM 1365 CB ASN A 93 0.646 -9.443 4.045 1.00 0.00 C ATOM 1366 CG ASN A 93 1.253 -10.343 5.101 1.00 0.00 C ATOM 1367 OD1 ASN A 93 0.729 -11.419 5.388 1.00 0.00 O ATOM 1368 ND2 ASN A 93 2.361 -9.905 5.687 1.00 0.00 N ATOM 0 H ASN A 93 2.263 -7.444 2.887 1.00 0.00 H new ATOM 0 HA ASN A 93 1.915 -10.368 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.532 -8.438 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.353 -9.802 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.813 -10.468 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.760 -9.006 5.417 1.00 0.00 H new ATOM 1375 N LEU A 94 0.760 -9.669 0.465 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.008 -9.346 -0.737 1.00 0.00 C ATOM 1377 C LEU A 94 -1.498 -9.567 -0.523 1.00 0.00 C ATOM 1378 O LEU A 94 -1.898 -10.392 0.298 1.00 0.00 O ATOM 1379 CB LEU A 94 0.468 -10.180 -1.928 1.00 0.00 C ATOM 1380 CG LEU A 94 0.064 -9.632 -3.300 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.693 -8.263 -3.530 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.465 -10.602 -4.406 1.00 0.00 C ATOM 0 H LEU A 94 1.396 -10.460 0.362 1.00 0.00 H new ATOM 0 HA LEU A 94 0.158 -8.290 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.555 -10.256 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.074 -11.191 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.020 -9.522 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.397 -7.886 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.354 -7.572 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.779 -8.350 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.169 -10.194 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.545 -10.747 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.032 -11.559 -4.249 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.318 -8.837 -1.279 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.767 -8.967 -1.180 1.00 0.00 C ATOM 1396 C LYS A 95 -4.442 -8.612 -2.513 1.00 0.00 C ATOM 1397 O LYS A 95 -4.391 -9.390 -3.465 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.315 -8.097 -0.037 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.123 -8.701 1.345 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.334 -7.665 2.437 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.436 -8.311 3.810 1.00 0.00 C ATOM 1402 NZ LYS A 95 -3.558 -7.636 4.805 1.00 0.00 N ATOM 0 H LYS A 95 -2.002 -8.151 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.999 -10.008 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.826 -7.123 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.378 -7.925 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.822 -9.526 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.119 -9.117 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.508 -6.954 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.243 -7.099 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.470 -8.274 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.162 -9.363 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.907 -7.831 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.586 -7.995 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.566 -6.610 4.635 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.110 -7.464 -2.568 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.823 -7.066 -3.772 1.00 0.00 C ATOM 1418 C LYS A 96 -4.881 -6.649 -4.894 1.00 0.00 C ATOM 1419 O LYS A 96 -4.347 -5.541 -4.894 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.785 -5.918 -3.454 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.247 -6.328 -3.494 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.110 -5.392 -2.665 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.284 -6.127 -2.039 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.885 -6.861 -0.807 1.00 0.00 N ATOM 0 H LYS A 96 -5.171 -6.798 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.380 -7.936 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.553 -5.523 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.622 -5.109 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.598 -6.330 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.351 -7.347 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.505 -4.936 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.480 -4.583 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.072 -5.414 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.700 -6.829 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.713 -7.349 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.151 -7.559 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.512 -6.188 -0.107 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.710 -7.540 -5.867 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.872 -7.278 -7.026 1.00 0.00 C ATOM 1440 C VAL A 97 -4.750 -7.149 -8.269 1.00 0.00 C ATOM 1441 O VAL A 97 -5.305 -8.137 -8.750 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.839 -8.414 -7.231 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.487 -9.788 -7.058 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.164 -8.304 -8.597 1.00 0.00 C ATOM 0 H VAL A 97 -5.149 -8.461 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.329 -6.348 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.072 -8.304 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.738 -10.565 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.900 -9.871 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.286 -9.908 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.444 -9.114 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.917 -8.373 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.648 -7.347 -8.672 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.889 -5.926 -8.774 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.720 -5.678 -9.948 1.00 0.00 C ATOM 1456 C GLU A 98 -4.977 -4.842 -10.988 1.00 0.00 C ATOM 1457 O GLU A 98 -3.885 -4.344 -10.724 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.014 -4.989 -9.522 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.893 -5.862 -8.639 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.921 -5.067 -7.857 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -8.560 -4.511 -6.800 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -10.085 -5.003 -8.303 1.00 0.00 O ATOM 0 H GLU A 98 -4.439 -5.095 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.960 -6.634 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.771 -4.071 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.575 -4.701 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.405 -6.597 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.263 -6.416 -7.943 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.563 -4.710 -12.179 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.935 -3.959 -13.268 1.00 0.00 C ATOM 1471 C GLU A 99 -5.363 -2.496 -13.286 1.00 0.00 C ATOM 1472 O GLU A 99 -6.326 -2.125 -13.955 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.256 -4.612 -14.613 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.335 -4.174 -15.741 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.844 -2.947 -16.470 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.050 -2.643 -16.350 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.038 -2.291 -17.163 1.00 0.00 O ATOM 0 H GLU A 99 -6.470 -5.113 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.859 -3.982 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.194 -5.695 -14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.285 -4.377 -14.884 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.345 -3.966 -15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.223 -4.993 -16.451 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.615 -1.669 -12.561 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.883 -0.236 -12.489 1.00 0.00 C ATOM 1486 C ARG A 100 -4.615 0.446 -13.824 1.00 0.00 C ATOM 1487 O ARG A 100 -4.087 -0.162 -14.754 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.005 0.405 -11.414 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.519 0.350 -11.746 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.934 1.736 -11.973 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.548 1.935 -13.369 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.271 3.122 -13.901 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.319 4.221 -13.157 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.938 3.211 -15.183 1.00 0.00 N ATOM 0 H ARG A 100 -3.811 -1.971 -12.010 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.936 -0.107 -12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.304 1.445 -11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.178 -0.100 -10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.984 -0.141 -10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.369 -0.257 -12.639 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.665 2.492 -11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.064 1.874 -11.331 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.487 1.114 -13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.570 4.158 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.105 5.128 -13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.895 2.370 -15.758 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.725 4.121 -15.593 1.00 0.00 H new