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 -170:sc= -0.133 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.131 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 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 147:sc= -6.62! (180deg=-8.23!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 51 MET CE :methyl 175:sc= -3.72! (180deg=-4.13!) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0666) USER MOD Single : A 62 HIS : no HD1:sc= -5.24 K(o=-5.2,f=-4.1!) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0216) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 14:sc= -1.24! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.1!) USER MOD Single : A 82 ASN : amide:sc= -5.08! K(o=-5.1!,f=-1.6) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 2.12 (180deg=1.86) USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.18) USER MOD Single : A 93 ASN : amide:sc= -3.99! C(o=-4!,f=-5.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.095 -1.071 -12.315 1.00 0.00 N ATOM 143 CA GLU A 10 -8.415 -2.361 -12.291 1.00 0.00 C ATOM 144 C GLU A 10 -9.400 -3.528 -12.334 1.00 0.00 C ATOM 145 O GLU A 10 -10.460 -3.488 -11.710 1.00 0.00 O ATOM 146 CB GLU A 10 -7.520 -2.487 -11.057 1.00 0.00 C ATOM 147 CG GLU A 10 -6.746 -1.225 -10.707 1.00 0.00 C ATOM 148 CD GLU A 10 -6.679 -0.980 -9.213 1.00 0.00 C ATOM 149 OE1 GLU A 10 -7.749 -0.920 -8.571 1.00 0.00 O ATOM 150 OE2 GLU A 10 -5.555 -0.848 -8.683 1.00 0.00 O ATOM 0 HA GLU A 10 -7.796 -2.406 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.137 -2.768 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.811 -3.299 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.734 -1.301 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.215 -0.369 -11.192 1.00 0.00 H new ATOM 157 N LYS A 11 -9.026 -4.571 -13.072 1.00 0.00 N ATOM 158 CA LYS A 11 -9.852 -5.765 -13.204 1.00 0.00 C ATOM 159 C LYS A 11 -9.894 -6.534 -11.880 1.00 0.00 C ATOM 160 O LYS A 11 -9.624 -5.968 -10.821 1.00 0.00 O ATOM 161 CB LYS A 11 -9.313 -6.655 -14.330 1.00 0.00 C ATOM 162 CG LYS A 11 -7.899 -7.158 -14.083 1.00 0.00 C ATOM 163 CD LYS A 11 -7.475 -8.182 -15.127 1.00 0.00 C ATOM 164 CE LYS A 11 -7.549 -7.615 -16.538 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.552 -8.328 -17.376 1.00 0.00 N ATOM 0 H LYS A 11 -8.149 -4.611 -13.591 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.869 -5.464 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.977 -7.510 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.333 -6.096 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.206 -6.317 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.840 -7.604 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.457 -8.511 -14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.115 -9.061 -15.055 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.804 -6.556 -16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.568 -7.685 -17.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.569 -7.910 -18.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.295 -9.334 -17.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.493 -8.239 -16.942 1.00 0.00 H new ATOM 179 N ASP A 12 -10.238 -7.820 -11.940 1.00 0.00 N ATOM 180 CA ASP A 12 -10.315 -8.644 -10.737 1.00 0.00 C ATOM 181 C ASP A 12 -9.410 -9.871 -10.838 1.00 0.00 C ATOM 182 O ASP A 12 -9.638 -10.877 -10.168 1.00 0.00 O ATOM 183 CB ASP A 12 -11.761 -9.082 -10.495 1.00 0.00 C ATOM 184 CG ASP A 12 -12.122 -9.104 -9.023 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.731 -8.161 -8.302 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.797 -10.061 -8.591 1.00 0.00 O ATOM 0 H ASP A 12 -10.466 -8.311 -12.805 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.971 -8.041 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.435 -8.406 -11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.912 -10.075 -10.918 1.00 0.00 H new ATOM 191 N GLY A 13 -8.386 -9.783 -11.682 1.00 0.00 N ATOM 192 CA GLY A 13 -7.469 -10.896 -11.857 1.00 0.00 C ATOM 193 C GLY A 13 -6.122 -10.663 -11.197 1.00 0.00 C ATOM 194 O GLY A 13 -6.011 -9.878 -10.257 1.00 0.00 O ATOM 0 H GLY A 13 -8.175 -8.961 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.919 -11.799 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.320 -11.073 -12.922 1.00 0.00 H new ATOM 198 N ALA A 14 -5.102 -11.369 -11.680 1.00 0.00 N ATOM 199 CA ALA A 14 -3.753 -11.263 -11.127 1.00 0.00 C ATOM 200 C ALA A 14 -3.085 -9.936 -11.483 1.00 0.00 C ATOM 201 O ALA A 14 -3.720 -9.023 -12.012 1.00 0.00 O ATOM 202 CB ALA A 14 -2.901 -12.426 -11.612 1.00 0.00 C ATOM 0 H ALA A 14 -5.185 -12.024 -12.457 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.840 -11.300 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.897 -12.340 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.349 -13.365 -11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.845 -12.407 -12.700 1.00 0.00 H new ATOM 208 N VAL A 15 -1.778 -9.868 -11.237 1.00 0.00 N ATOM 209 CA VAL A 15 -0.986 -8.690 -11.574 1.00 0.00 C ATOM 210 C VAL A 15 -0.901 -8.520 -13.085 1.00 0.00 C ATOM 211 O VAL A 15 -0.999 -9.495 -13.830 1.00 0.00 O ATOM 212 CB VAL A 15 0.437 -8.774 -10.997 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.160 -10.000 -11.532 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.226 -7.507 -11.302 1.00 0.00 C ATOM 0 H VAL A 15 -1.244 -10.621 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.488 -7.830 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 15 0.357 -8.867 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.165 -10.042 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.611 -10.898 -11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.223 -9.940 -12.619 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.228 -7.593 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.294 -7.372 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.720 -6.648 -10.860 1.00 0.00 H new ATOM 224 N GLU A 16 -0.689 -7.293 -13.541 1.00 0.00 N ATOM 225 CA GLU A 16 -0.557 -7.023 -14.963 1.00 0.00 C ATOM 226 C GLU A 16 0.612 -6.074 -15.212 1.00 0.00 C ATOM 227 O GLU A 16 1.071 -5.394 -14.295 1.00 0.00 O ATOM 228 CB GLU A 16 -1.846 -6.429 -15.525 1.00 0.00 C ATOM 229 CG GLU A 16 -2.858 -7.477 -15.956 1.00 0.00 C ATOM 230 CD GLU A 16 -3.556 -7.115 -17.253 1.00 0.00 C ATOM 231 OE1 GLU A 16 -4.551 -6.364 -17.201 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.107 -7.583 -18.319 1.00 0.00 O ATOM 0 H GLU A 16 -0.605 -6.469 -12.945 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.364 -7.966 -15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.299 -5.786 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.603 -5.797 -16.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.354 -8.436 -16.074 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.602 -7.603 -15.170 1.00 0.00 H new ATOM 239 N ALA A 17 1.103 -6.072 -16.449 1.00 0.00 N ATOM 240 CA ALA A 17 2.254 -5.243 -16.840 1.00 0.00 C ATOM 241 C ALA A 17 2.460 -4.062 -15.885 1.00 0.00 C ATOM 242 O ALA A 17 3.398 -4.065 -15.087 1.00 0.00 O ATOM 243 CB ALA A 17 2.083 -4.747 -18.268 1.00 0.00 C ATOM 0 H ALA A 17 0.722 -6.638 -17.207 1.00 0.00 H new ATOM 0 HA ALA A 17 3.145 -5.868 -16.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.941 -4.135 -18.546 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.012 -5.600 -18.943 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.173 -4.151 -18.340 1.00 0.00 H new ATOM 249 N GLU A 18 1.597 -3.054 -15.970 1.00 0.00 N ATOM 250 CA GLU A 18 1.714 -1.878 -15.107 1.00 0.00 C ATOM 251 C GLU A 18 0.479 -1.733 -14.220 1.00 0.00 C ATOM 252 O GLU A 18 -0.333 -0.827 -14.408 1.00 0.00 O ATOM 253 CB GLU A 18 1.905 -0.619 -15.956 1.00 0.00 C ATOM 254 CG GLU A 18 3.152 -0.659 -16.824 1.00 0.00 C ATOM 255 CD GLU A 18 3.123 0.371 -17.935 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.067 0.510 -18.588 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.155 1.040 -18.153 1.00 0.00 O ATOM 0 H GLU A 18 0.813 -3.025 -16.622 1.00 0.00 H new ATOM 0 HA GLU A 18 2.585 -2.008 -14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.032 -0.484 -16.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.957 0.249 -15.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.030 -0.490 -16.200 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.256 -1.653 -17.258 1.00 0.00 H new ATOM 264 N ASP A 19 0.332 -2.659 -13.270 1.00 0.00 N ATOM 265 CA ASP A 19 -0.823 -2.661 -12.372 1.00 0.00 C ATOM 266 C ASP A 19 -0.510 -2.060 -10.998 1.00 0.00 C ATOM 267 O ASP A 19 0.543 -1.458 -10.795 1.00 0.00 O ATOM 268 CB ASP A 19 -1.362 -4.093 -12.242 1.00 0.00 C ATOM 269 CG ASP A 19 -0.914 -4.833 -10.990 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.193 -4.555 -10.492 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.678 -5.697 -10.510 1.00 0.00 O ATOM 0 H ASP A 19 0.997 -3.415 -13.104 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.588 -2.020 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.451 -4.059 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.050 -4.664 -13.116 1.00 0.00 H new ATOM 276 N ARG A 20 -1.445 -2.244 -10.060 1.00 0.00 N ATOM 277 CA ARG A 20 -1.292 -1.740 -8.696 1.00 0.00 C ATOM 278 C ARG A 20 -1.903 -2.723 -7.696 1.00 0.00 C ATOM 279 O ARG A 20 -3.120 -2.900 -7.654 1.00 0.00 O ATOM 280 CB ARG A 20 -1.966 -0.375 -8.547 1.00 0.00 C ATOM 281 CG ARG A 20 -1.097 0.796 -8.982 1.00 0.00 C ATOM 282 CD ARG A 20 -0.536 1.553 -7.787 1.00 0.00 C ATOM 283 NE ARG A 20 -0.448 2.992 -8.038 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.283 3.902 -7.077 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.157 3.522 -5.813 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.241 5.193 -7.382 1.00 0.00 N ATOM 0 H ARG A 20 -2.320 -2.742 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.227 -1.633 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.885 -0.369 -9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.252 -0.234 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.276 0.431 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.684 1.475 -9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.168 1.375 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.454 1.166 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.517 3.317 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.186 2.531 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.031 4.221 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.335 5.491 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.115 5.887 -6.645 1.00 0.00 H new ATOM 300 N VAL A 21 -1.056 -3.347 -6.882 1.00 0.00 N ATOM 301 CA VAL A 21 -1.519 -4.300 -5.868 1.00 0.00 C ATOM 302 C VAL A 21 -1.736 -3.624 -4.513 1.00 0.00 C ATOM 303 O VAL A 21 -1.307 -2.490 -4.299 1.00 0.00 O ATOM 304 CB VAL A 21 -0.522 -5.469 -5.690 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.346 -6.240 -6.991 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.822 -4.966 -5.189 1.00 0.00 C ATOM 0 H VAL A 21 -0.045 -3.212 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.471 -4.691 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.937 -6.146 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.360 -7.056 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.307 -6.646 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.035 -5.570 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.505 -5.808 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.237 -4.259 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.689 -4.470 -4.227 1.00 0.00 H new ATOM 316 N THR A 22 -2.371 -4.346 -3.586 1.00 0.00 N ATOM 317 CA THR A 22 -2.602 -3.832 -2.243 1.00 0.00 C ATOM 318 C THR A 22 -1.882 -4.725 -1.240 1.00 0.00 C ATOM 319 O THR A 22 -2.219 -5.898 -1.098 1.00 0.00 O ATOM 320 CB THR A 22 -4.097 -3.783 -1.922 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.782 -2.940 -2.831 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.388 -3.283 -0.521 1.00 0.00 C ATOM 0 H THR A 22 -2.732 -5.287 -3.745 1.00 0.00 H new ATOM 0 HA THR A 22 -2.214 -2.815 -2.182 1.00 0.00 H new ATOM 0 HB THR A 22 -4.445 -4.813 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.699 -2.797 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.465 -3.272 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.916 -3.943 0.206 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.992 -2.274 -0.405 1.00 0.00 H new ATOM 330 N ILE A 23 -0.877 -4.184 -0.565 1.00 0.00 N ATOM 331 CA ILE A 23 -0.114 -4.972 0.395 1.00 0.00 C ATOM 332 C ILE A 23 0.001 -4.282 1.755 1.00 0.00 C ATOM 333 O ILE A 23 0.001 -3.055 1.851 1.00 0.00 O ATOM 334 CB ILE A 23 1.319 -5.249 -0.113 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.092 -3.933 -0.254 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.297 -6.013 -1.433 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.421 -4.084 -0.955 1.00 0.00 C ATOM 0 H ILE A 23 -0.573 -3.215 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.665 -5.906 0.508 1.00 0.00 H new ATOM 0 HB ILE A 23 1.829 -5.875 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.480 -3.219 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.259 -3.512 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.319 -6.194 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.787 -6.966 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.769 -5.426 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.911 -3.113 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.052 -4.773 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.260 -4.476 -1.959 1.00 0.00 H new ATOM 349 N ASP A 24 0.149 -5.098 2.795 1.00 0.00 N ATOM 350 CA ASP A 24 0.330 -4.610 4.158 1.00 0.00 C ATOM 351 C ASP A 24 1.653 -5.169 4.678 1.00 0.00 C ATOM 352 O ASP A 24 1.877 -6.378 4.610 1.00 0.00 O ATOM 353 CB ASP A 24 -0.824 -5.062 5.062 1.00 0.00 C ATOM 354 CG ASP A 24 -0.978 -6.566 5.104 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.601 -7.124 4.177 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.477 -7.186 6.066 1.00 0.00 O ATOM 0 H ASP A 24 0.147 -6.115 2.716 1.00 0.00 H new ATOM 0 HA ASP A 24 0.341 -3.520 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.656 -4.690 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.753 -4.615 4.709 1.00 0.00 H new ATOM 361 N PHE A 25 2.551 -4.309 5.155 1.00 0.00 N ATOM 362 CA PHE A 25 3.854 -4.788 5.619 1.00 0.00 C ATOM 363 C PHE A 25 4.350 -4.066 6.860 1.00 0.00 C ATOM 364 O PHE A 25 3.778 -3.069 7.294 1.00 0.00 O ATOM 365 CB PHE A 25 4.889 -4.642 4.505 1.00 0.00 C ATOM 366 CG PHE A 25 5.235 -3.215 4.165 1.00 0.00 C ATOM 367 CD1 PHE A 25 5.974 -2.428 5.042 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.817 -2.658 2.968 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.284 -1.117 4.725 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.125 -1.350 2.652 1.00 0.00 C ATOM 371 CZ PHE A 25 5.856 -0.581 3.527 1.00 0.00 C ATOM 0 H PHE A 25 2.408 -3.302 5.230 1.00 0.00 H new ATOM 0 HA PHE A 25 3.721 -5.836 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.799 -5.164 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.514 -5.136 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.309 -2.844 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.243 -3.254 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.859 -0.515 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.791 -0.929 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.095 0.442 3.277 1.00 0.00 H new ATOM 381 N THR A 26 5.426 -4.602 7.427 1.00 0.00 N ATOM 382 CA THR A 26 6.027 -4.036 8.632 1.00 0.00 C ATOM 383 C THR A 26 7.521 -4.359 8.707 1.00 0.00 C ATOM 384 O THR A 26 7.904 -5.524 8.813 1.00 0.00 O ATOM 385 CB THR A 26 5.317 -4.579 9.872 1.00 0.00 C ATOM 386 OG1 THR A 26 3.924 -4.341 9.797 1.00 0.00 O ATOM 387 CG2 THR A 26 5.817 -3.969 11.163 1.00 0.00 C ATOM 0 H THR A 26 5.902 -5.431 7.071 1.00 0.00 H new ATOM 0 HA THR A 26 5.913 -2.953 8.592 1.00 0.00 H new ATOM 0 HB THR A 26 5.535 -5.647 9.885 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.488 -4.697 10.599 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.271 -4.398 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.881 -4.178 11.276 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.660 -2.891 11.141 1.00 0.00 H new ATOM 395 N GLY A 27 8.360 -3.325 8.652 1.00 0.00 N ATOM 396 CA GLY A 27 9.798 -3.539 8.720 1.00 0.00 C ATOM 397 C GLY A 27 10.585 -2.277 9.015 1.00 0.00 C ATOM 398 O GLY A 27 10.029 -1.184 9.077 1.00 0.00 O ATOM 0 H GLY A 27 8.073 -2.350 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.011 -4.279 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.140 -3.958 7.774 1.00 0.00 H new ATOM 402 N SER A 28 11.889 -2.446 9.205 1.00 0.00 N ATOM 403 CA SER A 28 12.789 -1.333 9.506 1.00 0.00 C ATOM 404 C SER A 28 13.718 -1.041 8.336 1.00 0.00 C ATOM 405 O SER A 28 13.778 -1.799 7.369 1.00 0.00 O ATOM 406 CB SER A 28 13.632 -1.672 10.737 1.00 0.00 C ATOM 407 OG SER A 28 12.995 -2.653 11.539 1.00 0.00 O ATOM 0 H SER A 28 12.353 -3.353 9.156 1.00 0.00 H new ATOM 0 HA SER A 28 12.179 -0.450 9.696 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.611 -2.035 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.800 -0.770 11.326 1.00 0.00 H new ATOM 0 HG SER A 28 13.555 -2.853 12.318 1.00 0.00 H new ATOM 413 N VAL A 29 14.459 0.058 8.445 1.00 0.00 N ATOM 414 CA VAL A 29 15.403 0.450 7.415 1.00 0.00 C ATOM 415 C VAL A 29 16.809 -0.047 7.749 1.00 0.00 C ATOM 416 O VAL A 29 17.186 -1.152 7.365 1.00 0.00 O ATOM 417 CB VAL A 29 15.416 1.977 7.213 1.00 0.00 C ATOM 418 CG1 VAL A 29 16.335 2.362 6.064 1.00 0.00 C ATOM 419 CG2 VAL A 29 14.006 2.505 6.985 1.00 0.00 C ATOM 0 H VAL A 29 14.420 0.693 9.242 1.00 0.00 H new ATOM 0 HA VAL A 29 15.078 -0.013 6.483 1.00 0.00 H new ATOM 0 HB VAL A 29 15.804 2.437 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.328 3.445 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.349 2.028 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.987 1.889 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.040 3.585 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.582 2.037 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.385 2.271 7.850 1.00 0.00 H new ATOM 429 N ASP A 30 17.577 0.757 8.479 1.00 0.00 N ATOM 430 CA ASP A 30 18.923 0.369 8.871 1.00 0.00 C ATOM 431 C ASP A 30 18.893 -0.245 10.264 1.00 0.00 C ATOM 432 O ASP A 30 19.739 0.053 11.107 1.00 0.00 O ATOM 433 CB ASP A 30 19.856 1.582 8.846 1.00 0.00 C ATOM 434 CG ASP A 30 20.567 1.740 7.517 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.306 0.814 7.123 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.383 2.792 6.869 1.00 0.00 O ATOM 0 H ASP A 30 17.289 1.678 8.809 1.00 0.00 H new ATOM 0 HA ASP A 30 19.300 -0.369 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.280 2.483 9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.596 1.484 9.641 1.00 0.00 H new ATOM 441 N GLY A 31 17.892 -1.090 10.505 1.00 0.00 N ATOM 442 CA GLY A 31 17.746 -1.717 11.802 1.00 0.00 C ATOM 443 C GLY A 31 16.759 -0.969 12.681 1.00 0.00 C ATOM 444 O GLY A 31 16.400 -1.436 13.762 1.00 0.00 O ATOM 0 H GLY A 31 17.180 -1.350 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.411 -2.746 11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.716 -1.758 12.298 1.00 0.00 H new ATOM 448 N GLU A 32 16.320 0.198 12.211 1.00 0.00 N ATOM 449 CA GLU A 32 15.371 1.019 12.949 1.00 0.00 C ATOM 450 C GLU A 32 14.168 1.369 12.083 1.00 0.00 C ATOM 451 O GLU A 32 14.284 2.119 11.113 1.00 0.00 O ATOM 452 CB GLU A 32 16.045 2.297 13.435 1.00 0.00 C ATOM 453 CG GLU A 32 16.641 3.136 12.317 1.00 0.00 C ATOM 454 CD GLU A 32 17.611 4.181 12.833 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.409 4.668 13.965 1.00 0.00 O ATOM 456 OE2 GLU A 32 18.571 4.510 12.106 1.00 0.00 O ATOM 0 H GLU A 32 16.610 0.595 11.317 1.00 0.00 H new ATOM 0 HA GLU A 32 15.025 0.446 13.809 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.316 2.898 13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.833 2.036 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.155 2.484 11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.838 3.629 11.769 1.00 0.00 H new ATOM 463 N GLU A 33 13.014 0.814 12.436 1.00 0.00 N ATOM 464 CA GLU A 33 11.791 1.057 11.696 1.00 0.00 C ATOM 465 C GLU A 33 11.402 2.514 11.800 1.00 0.00 C ATOM 466 O GLU A 33 11.113 3.018 12.885 1.00 0.00 O ATOM 467 CB GLU A 33 10.661 0.165 12.214 1.00 0.00 C ATOM 468 CG GLU A 33 10.407 0.301 13.707 1.00 0.00 C ATOM 469 CD GLU A 33 8.928 0.368 14.040 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.176 1.005 13.272 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.524 -0.218 15.065 1.00 0.00 O ATOM 0 H GLU A 33 12.905 0.190 13.235 1.00 0.00 H new ATOM 0 HA GLU A 33 11.965 0.813 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.744 0.406 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.899 -0.875 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.856 -0.545 14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.901 1.200 14.076 1.00 0.00 H new ATOM 478 N PHE A 34 11.438 3.199 10.672 1.00 0.00 N ATOM 479 CA PHE A 34 11.133 4.629 10.627 1.00 0.00 C ATOM 480 C PHE A 34 9.632 4.913 10.565 1.00 0.00 C ATOM 481 O PHE A 34 8.842 4.294 11.280 1.00 0.00 O ATOM 482 CB PHE A 34 11.880 5.264 9.438 1.00 0.00 C ATOM 483 CG PHE A 34 11.317 4.945 8.072 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.659 3.749 7.818 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.451 5.858 7.037 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.150 3.474 6.562 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.944 5.588 5.780 1.00 0.00 C ATOM 488 CZ PHE A 34 10.294 4.395 5.543 1.00 0.00 C ATOM 0 H PHE A 34 11.676 2.792 9.768 1.00 0.00 H new ATOM 0 HA PHE A 34 11.477 5.081 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.881 6.346 9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.920 4.938 9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.543 3.025 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.959 6.794 7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.640 2.540 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.057 6.310 4.985 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.898 4.181 4.561 1.00 0.00 H new ATOM 498 N GLU A 35 9.249 5.837 9.704 1.00 0.00 N ATOM 499 CA GLU A 35 7.848 6.207 9.522 1.00 0.00 C ATOM 500 C GLU A 35 7.073 5.083 8.847 1.00 0.00 C ATOM 501 O GLU A 35 6.016 4.664 9.323 1.00 0.00 O ATOM 502 CB GLU A 35 7.741 7.481 8.680 1.00 0.00 C ATOM 503 CG GLU A 35 8.368 8.699 9.335 1.00 0.00 C ATOM 504 CD GLU A 35 7.335 9.688 9.842 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.543 10.194 9.019 1.00 0.00 O ATOM 506 OE2 GLU A 35 7.318 9.953 11.063 1.00 0.00 O ATOM 0 H GLU A 35 9.896 6.355 9.109 1.00 0.00 H new ATOM 0 HA GLU A 35 7.417 6.387 10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.220 7.310 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.689 7.687 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.995 8.377 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.020 9.197 8.618 1.00 0.00 H new ATOM 513 N GLY A 36 7.606 4.605 7.727 1.00 0.00 N ATOM 514 CA GLY A 36 6.961 3.538 6.983 1.00 0.00 C ATOM 515 C GLY A 36 7.240 2.160 7.555 1.00 0.00 C ATOM 516 O GLY A 36 7.050 1.153 6.874 1.00 0.00 O ATOM 0 H GLY A 36 8.479 4.940 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.885 3.709 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.299 3.570 5.947 1.00 0.00 H new ATOM 520 N GLY A 37 7.690 2.109 8.806 1.00 0.00 N ATOM 521 CA GLY A 37 7.979 0.838 9.434 1.00 0.00 C ATOM 522 C GLY A 37 6.776 -0.085 9.488 1.00 0.00 C ATOM 523 O GLY A 37 6.915 -1.270 9.793 1.00 0.00 O ATOM 0 H GLY A 37 7.858 2.926 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.784 0.345 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.341 1.014 10.447 1.00 0.00 H new ATOM 527 N LYS A 38 5.592 0.446 9.185 1.00 0.00 N ATOM 528 CA LYS A 38 4.379 -0.357 9.197 1.00 0.00 C ATOM 529 C LYS A 38 3.361 0.169 8.189 1.00 0.00 C ATOM 530 O LYS A 38 2.999 1.344 8.201 1.00 0.00 O ATOM 531 CB LYS A 38 3.770 -0.388 10.602 1.00 0.00 C ATOM 532 CG LYS A 38 3.308 0.970 11.110 1.00 0.00 C ATOM 533 CD LYS A 38 4.319 1.581 12.069 1.00 0.00 C ATOM 534 CE LYS A 38 5.103 2.707 11.414 1.00 0.00 C ATOM 535 NZ LYS A 38 5.231 3.890 12.310 1.00 0.00 N ATOM 0 H LYS A 38 5.451 1.424 8.930 1.00 0.00 H new ATOM 0 HA LYS A 38 4.647 -1.374 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.921 -1.072 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.506 -0.792 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.154 1.642 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.347 0.864 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.802 1.962 12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.008 0.809 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.096 2.348 11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.608 3.004 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.772 4.635 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.284 4.249 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.726 3.613 13.182 1.00 0.00 H new ATOM 549 N ALA A 39 2.901 -0.720 7.316 1.00 0.00 N ATOM 550 CA ALA A 39 1.921 -0.368 6.299 1.00 0.00 C ATOM 551 C ALA A 39 0.818 -1.416 6.242 1.00 0.00 C ATOM 552 O ALA A 39 1.071 -2.606 6.427 1.00 0.00 O ATOM 553 CB ALA A 39 2.586 -0.231 4.935 1.00 0.00 C ATOM 0 H ALA A 39 3.195 -1.697 7.294 1.00 0.00 H new ATOM 0 HA ALA A 39 1.481 0.593 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.836 0.032 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.345 0.550 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.053 -1.177 4.661 1.00 0.00 H new ATOM 559 N SER A 40 -0.404 -0.971 5.988 1.00 0.00 N ATOM 560 CA SER A 40 -1.539 -1.880 5.912 1.00 0.00 C ATOM 561 C SER A 40 -2.123 -1.895 4.507 1.00 0.00 C ATOM 562 O SER A 40 -2.127 -2.922 3.834 1.00 0.00 O ATOM 563 CB SER A 40 -2.615 -1.479 6.924 1.00 0.00 C ATOM 564 OG SER A 40 -2.716 -2.433 7.968 1.00 0.00 O ATOM 0 H SER A 40 -0.635 0.010 5.832 1.00 0.00 H new ATOM 0 HA SER A 40 -1.187 -2.883 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.378 -0.501 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.576 -1.385 6.419 1.00 0.00 H new ATOM 0 HG SER A 40 -3.409 -2.152 8.602 1.00 0.00 H new ATOM 570 N ASP A 41 -2.562 -0.739 4.046 1.00 0.00 N ATOM 571 CA ASP A 41 -3.087 -0.588 2.706 1.00 0.00 C ATOM 572 C ASP A 41 -2.029 0.079 1.844 1.00 0.00 C ATOM 573 O ASP A 41 -2.178 1.240 1.460 1.00 0.00 O ATOM 574 CB ASP A 41 -4.377 0.237 2.715 1.00 0.00 C ATOM 575 CG ASP A 41 -5.499 -0.451 3.470 1.00 0.00 C ATOM 576 OD1 ASP A 41 -6.095 -1.397 2.914 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.782 -0.044 4.617 1.00 0.00 O ATOM 0 H ASP A 41 -2.564 0.122 4.593 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.330 -1.569 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.180 1.209 3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.694 0.422 1.689 1.00 0.00 H new ATOM 582 N PHE A 42 -0.969 -0.643 1.529 1.00 0.00 N ATOM 583 CA PHE A 42 0.092 -0.089 0.696 1.00 0.00 C ATOM 584 C PHE A 42 -0.164 -0.425 -0.765 1.00 0.00 C ATOM 585 O PHE A 42 0.061 -1.554 -1.203 1.00 0.00 O ATOM 586 CB PHE A 42 1.467 -0.617 1.127 1.00 0.00 C ATOM 587 CG PHE A 42 2.617 0.038 0.408 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.678 1.416 0.278 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.636 -0.725 -0.142 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.732 2.019 -0.384 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.689 -0.129 -0.805 1.00 0.00 C ATOM 592 CZ PHE A 42 4.738 1.244 -0.927 1.00 0.00 C ATOM 0 H PHE A 42 -0.817 -1.605 1.832 1.00 0.00 H new ATOM 0 HA PHE A 42 0.092 0.994 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.586 -0.464 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.505 -1.692 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.893 2.027 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.605 -1.801 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.768 3.094 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.475 -0.737 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.561 1.712 -1.446 1.00 0.00 H new ATOM 602 N VAL A 43 -0.650 0.556 -1.515 1.00 0.00 N ATOM 603 CA VAL A 43 -0.949 0.368 -2.920 1.00 0.00 C ATOM 604 C VAL A 43 0.313 0.453 -3.776 1.00 0.00 C ATOM 605 O VAL A 43 0.793 1.540 -4.100 1.00 0.00 O ATOM 606 CB VAL A 43 -1.977 1.414 -3.381 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.441 2.828 -3.203 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.400 1.164 -4.822 1.00 0.00 C ATOM 0 H VAL A 43 -0.845 1.494 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.369 -0.630 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.861 1.314 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.190 3.546 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.216 3.002 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.533 2.950 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.127 1.918 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.527 1.221 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.849 0.174 -4.903 1.00 0.00 H new ATOM 618 N LEU A 44 0.851 -0.705 -4.133 1.00 0.00 N ATOM 619 CA LEU A 44 2.059 -0.767 -4.940 1.00 0.00 C ATOM 620 C LEU A 44 1.722 -0.782 -6.423 1.00 0.00 C ATOM 621 O LEU A 44 0.779 -1.445 -6.846 1.00 0.00 O ATOM 622 CB LEU A 44 2.879 -2.007 -4.577 1.00 0.00 C ATOM 623 CG LEU A 44 4.336 -1.732 -4.200 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.121 -3.029 -4.141 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.975 -0.769 -5.189 1.00 0.00 C ATOM 0 H LEU A 44 0.468 -1.615 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 44 2.651 0.124 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.393 -2.514 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.862 -2.695 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 44 4.353 -1.270 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.156 -2.816 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.679 -3.688 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.093 -3.516 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.011 -0.587 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.946 -1.202 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.427 0.173 -5.185 1.00 0.00 H new ATOM 637 N ALA A 45 2.505 -0.046 -7.201 1.00 0.00 N ATOM 638 CA ALA A 45 2.301 0.035 -8.642 1.00 0.00 C ATOM 639 C ALA A 45 3.311 -0.831 -9.390 1.00 0.00 C ATOM 640 O ALA A 45 4.483 -0.477 -9.499 1.00 0.00 O ATOM 641 CB ALA A 45 2.408 1.482 -9.105 1.00 0.00 C ATOM 0 H ALA A 45 3.291 0.506 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 45 1.302 -0.340 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.254 1.531 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.649 2.082 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.397 1.870 -8.862 1.00 0.00 H new ATOM 647 N MET A 46 2.850 -1.967 -9.905 1.00 0.00 N ATOM 648 CA MET A 46 3.720 -2.876 -10.640 1.00 0.00 C ATOM 649 C MET A 46 4.127 -2.282 -11.979 1.00 0.00 C ATOM 650 O MET A 46 3.535 -2.596 -13.010 1.00 0.00 O ATOM 651 CB MET A 46 3.024 -4.213 -10.859 1.00 0.00 C ATOM 652 CG MET A 46 3.360 -5.243 -9.799 1.00 0.00 C ATOM 653 SD MET A 46 4.719 -6.314 -10.297 1.00 0.00 S ATOM 654 CE MET A 46 6.061 -5.620 -9.339 1.00 0.00 C ATOM 0 H MET A 46 1.882 -2.278 -9.827 1.00 0.00 H new ATOM 0 HA MET A 46 4.620 -3.032 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.946 -4.055 -10.874 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.303 -4.604 -11.837 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.622 -4.735 -8.871 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.478 -5.850 -9.592 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.752 -6.413 -9.054 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.588 -4.876 -9.937 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.661 -5.147 -8.442 1.00 0.00 H new ATOM 664 N GLY A 47 5.143 -1.430 -11.946 1.00 0.00 N ATOM 665 CA GLY A 47 5.630 -0.799 -13.157 1.00 0.00 C ATOM 666 C GLY A 47 5.121 0.620 -13.316 1.00 0.00 C ATOM 667 O GLY A 47 4.380 0.921 -14.253 1.00 0.00 O ATOM 0 H GLY A 47 5.641 -1.163 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.720 -0.792 -13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.324 -1.390 -14.020 1.00 0.00 H new ATOM 671 N GLN A 48 5.524 1.494 -12.402 1.00 0.00 N ATOM 672 CA GLN A 48 5.114 2.893 -12.440 1.00 0.00 C ATOM 673 C GLN A 48 6.335 3.797 -12.562 1.00 0.00 C ATOM 674 O GLN A 48 6.554 4.424 -13.600 1.00 0.00 O ATOM 675 CB GLN A 48 4.320 3.244 -11.180 1.00 0.00 C ATOM 676 CG GLN A 48 3.773 4.663 -11.177 1.00 0.00 C ATOM 677 CD GLN A 48 4.227 5.459 -9.968 1.00 0.00 C ATOM 678 OE1 GLN A 48 4.049 5.033 -8.826 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.818 6.623 -10.214 1.00 0.00 N ATOM 0 H GLN A 48 6.137 1.258 -11.622 1.00 0.00 H new ATOM 0 HA GLN A 48 4.477 3.048 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.491 2.544 -11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.961 3.109 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.093 5.174 -12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.684 4.629 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.945 6.937 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.145 7.202 -9.441 1.00 0.00 H new ATOM 688 N GLY A 49 7.132 3.849 -11.501 1.00 0.00 N ATOM 689 CA GLY A 49 8.331 4.664 -11.511 1.00 0.00 C ATOM 690 C GLY A 49 9.574 3.840 -11.782 1.00 0.00 C ATOM 691 O GLY A 49 10.345 4.145 -12.693 1.00 0.00 O ATOM 0 H GLY A 49 6.968 3.340 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.237 5.439 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.434 5.170 -10.551 1.00 0.00 H new ATOM 695 N ARG A 50 9.758 2.786 -10.992 1.00 0.00 N ATOM 696 CA ARG A 50 10.905 1.893 -11.140 1.00 0.00 C ATOM 697 C ARG A 50 10.883 0.813 -10.063 1.00 0.00 C ATOM 698 O ARG A 50 11.752 0.772 -9.192 1.00 0.00 O ATOM 699 CB ARG A 50 12.217 2.677 -11.067 1.00 0.00 C ATOM 700 CG ARG A 50 12.440 3.373 -9.733 1.00 0.00 C ATOM 701 CD ARG A 50 13.774 2.985 -9.115 1.00 0.00 C ATOM 702 NE ARG A 50 14.884 3.157 -10.053 1.00 0.00 N ATOM 703 CZ ARG A 50 15.451 2.160 -10.731 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.011 0.914 -10.598 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.460 2.412 -11.552 1.00 0.00 N ATOM 0 H ARG A 50 9.123 2.528 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 50 10.839 1.417 -12.119 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.048 1.997 -11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.229 3.422 -11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.405 4.453 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.632 3.115 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.952 3.592 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.733 1.946 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 50 15.246 4.100 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.231 0.713 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.453 0.159 -11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.800 3.367 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.896 1.651 -12.072 1.00 0.00 H new ATOM 719 N MET A 51 9.879 -0.058 -10.127 1.00 0.00 N ATOM 720 CA MET A 51 9.734 -1.138 -9.157 1.00 0.00 C ATOM 721 C MET A 51 11.061 -1.865 -8.934 1.00 0.00 C ATOM 722 O MET A 51 11.572 -2.534 -9.830 1.00 0.00 O ATOM 723 CB MET A 51 8.666 -2.131 -9.622 1.00 0.00 C ATOM 724 CG MET A 51 7.992 -2.877 -8.480 1.00 0.00 C ATOM 725 SD MET A 51 6.340 -2.249 -8.115 1.00 0.00 S ATOM 726 CE MET A 51 6.709 -0.543 -7.715 1.00 0.00 C ATOM 0 H MET A 51 9.153 -0.036 -10.843 1.00 0.00 H new ATOM 0 HA MET A 51 9.424 -0.696 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.908 -1.596 -10.193 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.123 -2.854 -10.298 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.926 -3.935 -8.732 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.611 -2.800 -7.586 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.779 0.002 -7.553 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.315 -0.504 -6.810 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.258 -0.087 -8.539 1.00 0.00 H new ATOM 736 N ILE A 52 11.604 -1.728 -7.728 1.00 0.00 N ATOM 737 CA ILE A 52 12.866 -2.374 -7.376 1.00 0.00 C ATOM 738 C ILE A 52 12.697 -3.887 -7.294 1.00 0.00 C ATOM 739 O ILE A 52 11.578 -4.386 -7.166 1.00 0.00 O ATOM 740 CB ILE A 52 13.435 -1.857 -6.032 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.310 -1.462 -5.070 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.372 -0.682 -6.270 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.787 -1.181 -3.663 1.00 0.00 C ATOM 0 H ILE A 52 11.190 -1.175 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 52 13.572 -2.123 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 52 14.000 -2.667 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.806 -0.576 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.571 -2.262 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.764 -0.330 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.198 -0.999 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.826 0.125 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.937 -0.908 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.265 -2.072 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.504 -0.360 -3.679 1.00 0.00 H new ATOM 755 N PRO A 53 13.805 -4.646 -7.355 1.00 0.00 N ATOM 756 CA PRO A 53 13.757 -6.109 -7.275 1.00 0.00 C ATOM 757 C PRO A 53 13.168 -6.586 -5.953 1.00 0.00 C ATOM 758 O PRO A 53 12.712 -7.721 -5.844 1.00 0.00 O ATOM 759 CB PRO A 53 15.227 -6.532 -7.390 1.00 0.00 C ATOM 760 CG PRO A 53 16.006 -5.316 -7.025 1.00 0.00 C ATOM 761 CD PRO A 53 15.183 -4.148 -7.492 1.00 0.00 C ATOM 0 HA PRO A 53 13.122 -6.539 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.453 -7.362 -6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.464 -6.865 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.177 -5.269 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.985 -5.321 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.355 -3.262 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.414 -3.876 -8.522 1.00 0.00 H new ATOM 769 N GLY A 54 13.176 -5.710 -4.954 1.00 0.00 N ATOM 770 CA GLY A 54 12.636 -6.059 -3.653 1.00 0.00 C ATOM 771 C GLY A 54 11.130 -6.233 -3.681 1.00 0.00 C ATOM 772 O GLY A 54 10.614 -7.332 -3.447 1.00 0.00 O ATOM 0 H GLY A 54 13.548 -4.763 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.099 -6.982 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.896 -5.282 -2.934 1.00 0.00 H new ATOM 776 N PHE A 55 10.425 -5.151 -3.987 1.00 0.00 N ATOM 777 CA PHE A 55 8.978 -5.190 -4.066 1.00 0.00 C ATOM 778 C PHE A 55 8.546 -6.044 -5.251 1.00 0.00 C ATOM 779 O PHE A 55 7.606 -6.833 -5.159 1.00 0.00 O ATOM 780 CB PHE A 55 8.405 -3.778 -4.230 1.00 0.00 C ATOM 781 CG PHE A 55 8.279 -2.981 -2.957 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.461 -3.406 -1.920 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.969 -1.789 -2.809 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.337 -2.662 -0.767 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.849 -1.040 -1.653 1.00 0.00 C ATOM 786 CZ PHE A 55 8.032 -1.477 -0.630 1.00 0.00 C ATOM 0 H PHE A 55 10.835 -4.238 -4.184 1.00 0.00 H new ATOM 0 HA PHE A 55 8.598 -5.622 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.038 -3.225 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.420 -3.855 -4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.914 -4.332 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.609 -1.440 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.695 -3.006 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.394 -0.113 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.937 -0.894 0.274 1.00 0.00 H new ATOM 796 N GLU A 56 9.246 -5.875 -6.370 1.00 0.00 N ATOM 797 CA GLU A 56 8.944 -6.622 -7.583 1.00 0.00 C ATOM 798 C GLU A 56 9.043 -8.127 -7.341 1.00 0.00 C ATOM 799 O GLU A 56 8.504 -8.923 -8.111 1.00 0.00 O ATOM 800 CB GLU A 56 9.889 -6.201 -8.713 1.00 0.00 C ATOM 801 CG GLU A 56 9.317 -6.418 -10.105 1.00 0.00 C ATOM 802 CD GLU A 56 10.246 -5.936 -11.201 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.285 -6.590 -11.431 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.934 -4.903 -11.832 1.00 0.00 O ATOM 0 H GLU A 56 10.027 -5.225 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 56 7.919 -6.394 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.137 -5.146 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.820 -6.760 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.113 -7.479 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.364 -5.896 -10.187 1.00 0.00 H new ATOM 811 N ASP A 57 9.729 -8.515 -6.268 1.00 0.00 N ATOM 812 CA ASP A 57 9.886 -9.923 -5.937 1.00 0.00 C ATOM 813 C ASP A 57 8.634 -10.467 -5.256 1.00 0.00 C ATOM 814 O ASP A 57 7.883 -11.234 -5.855 1.00 0.00 O ATOM 815 CB ASP A 57 11.104 -10.138 -5.035 1.00 0.00 C ATOM 816 CG ASP A 57 11.567 -11.582 -5.018 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.979 -12.085 -6.085 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.517 -12.209 -3.939 1.00 0.00 O ATOM 0 H ASP A 57 10.182 -7.874 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 57 10.039 -10.466 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.921 -9.502 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.859 -9.826 -4.020 1.00 0.00 H new ATOM 823 N GLY A 58 8.424 -10.096 -3.995 1.00 0.00 N ATOM 824 CA GLY A 58 7.271 -10.598 -3.266 1.00 0.00 C ATOM 825 C GLY A 58 5.965 -10.026 -3.766 1.00 0.00 C ATOM 826 O GLY A 58 5.009 -10.760 -4.013 1.00 0.00 O ATOM 0 H GLY A 58 9.026 -9.462 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.241 -11.685 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.385 -10.361 -2.208 1.00 0.00 H new ATOM 830 N ILE A 59 5.928 -8.711 -3.906 1.00 0.00 N ATOM 831 CA ILE A 59 4.754 -8.003 -4.367 1.00 0.00 C ATOM 832 C ILE A 59 4.626 -8.062 -5.879 1.00 0.00 C ATOM 833 O ILE A 59 4.143 -7.128 -6.518 1.00 0.00 O ATOM 834 CB ILE A 59 4.824 -6.540 -3.904 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.206 -6.472 -2.423 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.501 -5.833 -4.148 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.679 -6.651 -2.143 1.00 0.00 C ATOM 0 H ILE A 59 6.721 -8.103 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 59 3.875 -8.485 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 59 5.592 -6.030 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.888 -5.509 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.651 -7.239 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.574 -4.798 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.268 -5.854 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.710 -6.339 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.856 -6.588 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.003 -7.626 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.243 -5.868 -2.650 1.00 0.00 H new ATOM 849 N LYS A 60 5.006 -9.207 -6.423 1.00 0.00 N ATOM 850 CA LYS A 60 4.862 -9.423 -7.853 1.00 0.00 C ATOM 851 C LYS A 60 3.413 -9.066 -8.192 1.00 0.00 C ATOM 852 O LYS A 60 3.132 -8.303 -9.110 1.00 0.00 O ATOM 853 CB LYS A 60 5.196 -10.867 -8.261 1.00 0.00 C ATOM 854 CG LYS A 60 4.690 -11.933 -7.299 1.00 0.00 C ATOM 855 CD LYS A 60 5.705 -13.054 -7.131 1.00 0.00 C ATOM 856 CE LYS A 60 5.768 -13.944 -8.363 1.00 0.00 C ATOM 857 NZ LYS A 60 6.881 -13.555 -9.273 1.00 0.00 N ATOM 0 H LYS A 60 5.410 -9.989 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 60 5.565 -8.801 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.775 -11.058 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.278 -10.963 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.481 -11.481 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.750 -12.343 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.690 -12.628 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.443 -13.655 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.897 -14.982 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.822 -13.886 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.976 -14.264 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.677 -12.626 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.769 -13.503 -8.733 1.00 0.00 H new ATOM 871 N GLY A 61 2.507 -9.668 -7.432 1.00 0.00 N ATOM 872 CA GLY A 61 1.088 -9.470 -7.624 1.00 0.00 C ATOM 873 C GLY A 61 0.462 -10.720 -8.178 1.00 0.00 C ATOM 874 O GLY A 61 -0.278 -10.694 -9.162 1.00 0.00 O ATOM 0 H GLY A 61 2.741 -10.304 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.618 -9.208 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.918 -8.636 -8.305 1.00 0.00 H new ATOM 878 N HIS A 62 0.792 -11.829 -7.537 1.00 0.00 N ATOM 879 CA HIS A 62 0.292 -13.135 -7.965 1.00 0.00 C ATOM 880 C HIS A 62 -0.444 -13.875 -6.851 1.00 0.00 C ATOM 881 O HIS A 62 -1.186 -14.820 -7.115 1.00 0.00 O ATOM 882 CB HIS A 62 1.448 -13.997 -8.488 1.00 0.00 C ATOM 883 CG HIS A 62 2.364 -14.510 -7.416 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.097 -15.669 -7.545 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.666 -14.015 -6.190 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.807 -15.869 -6.450 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.564 -14.878 -5.613 1.00 0.00 N ATOM 0 H HIS A 62 1.402 -11.856 -6.720 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.427 -12.955 -8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.036 -14.845 -9.035 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.031 -13.411 -9.199 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.273 -13.110 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.472 -16.701 -6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.977 -14.771 -4.687 1.00 0.00 H new ATOM 895 N LYS A 63 -0.242 -13.456 -5.608 1.00 0.00 N ATOM 896 CA LYS A 63 -0.900 -14.106 -4.481 1.00 0.00 C ATOM 897 C LYS A 63 -1.775 -13.127 -3.705 1.00 0.00 C ATOM 898 O LYS A 63 -1.353 -12.572 -2.693 1.00 0.00 O ATOM 899 CB LYS A 63 0.135 -14.729 -3.547 1.00 0.00 C ATOM 900 CG LYS A 63 0.585 -16.117 -3.970 1.00 0.00 C ATOM 901 CD LYS A 63 -0.366 -17.187 -3.465 1.00 0.00 C ATOM 902 CE LYS A 63 0.104 -18.579 -3.859 1.00 0.00 C ATOM 903 NZ LYS A 63 1.301 -19.004 -3.081 1.00 0.00 N ATOM 0 H LYS A 63 0.366 -12.677 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.541 -14.891 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.005 -14.075 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.282 -14.783 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.645 -16.166 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.587 -16.309 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.446 -17.122 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.363 -17.010 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.704 -19.293 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.339 -18.595 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.528 -19.994 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.109 -18.399 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.103 -18.917 -2.064 1.00 0.00 H new ATOM 917 N ALA A 64 -3.007 -12.943 -4.170 1.00 0.00 N ATOM 918 CA ALA A 64 -3.950 -12.060 -3.501 1.00 0.00 C ATOM 919 C ALA A 64 -4.201 -12.529 -2.068 1.00 0.00 C ATOM 920 O ALA A 64 -4.999 -13.438 -1.838 1.00 0.00 O ATOM 921 CB ALA A 64 -5.256 -11.997 -4.282 1.00 0.00 C ATOM 0 H ALA A 64 -3.373 -13.395 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.521 -11.059 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.954 -11.333 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.062 -11.617 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.688 -12.995 -4.349 1.00 0.00 H new ATOM 927 N GLY A 65 -3.516 -11.912 -1.110 1.00 0.00 N ATOM 928 CA GLY A 65 -3.681 -12.296 0.283 1.00 0.00 C ATOM 929 C GLY A 65 -2.538 -13.164 0.779 1.00 0.00 C ATOM 930 O GLY A 65 -2.752 -14.121 1.522 1.00 0.00 O ATOM 0 H GLY A 65 -2.851 -11.155 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.748 -11.400 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.621 -12.835 0.401 1.00 0.00 H new ATOM 934 N GLU A 66 -1.321 -12.840 0.346 1.00 0.00 N ATOM 935 CA GLU A 66 -0.138 -13.605 0.729 1.00 0.00 C ATOM 936 C GLU A 66 0.609 -12.957 1.888 1.00 0.00 C ATOM 937 O GLU A 66 0.375 -11.800 2.218 1.00 0.00 O ATOM 938 CB GLU A 66 0.808 -13.735 -0.465 1.00 0.00 C ATOM 939 CG GLU A 66 1.458 -15.103 -0.581 1.00 0.00 C ATOM 940 CD GLU A 66 2.885 -15.030 -1.090 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.160 -14.181 -1.965 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.727 -15.816 -0.610 1.00 0.00 O ATOM 0 H GLU A 66 -1.129 -12.051 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.478 -14.589 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.255 -13.526 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.588 -12.977 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.449 -15.589 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.868 -15.726 -1.253 1.00 0.00 H new ATOM 949 N GLU A 67 1.528 -13.718 2.479 1.00 0.00 N ATOM 950 CA GLU A 67 2.351 -13.241 3.588 1.00 0.00 C ATOM 951 C GLU A 67 3.804 -13.650 3.358 1.00 0.00 C ATOM 952 O GLU A 67 4.172 -14.806 3.564 1.00 0.00 O ATOM 953 CB GLU A 67 1.839 -13.802 4.917 1.00 0.00 C ATOM 954 CG GLU A 67 1.669 -15.313 4.920 1.00 0.00 C ATOM 955 CD GLU A 67 0.294 -15.745 5.390 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.211 -15.156 6.369 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.278 -16.671 4.779 1.00 0.00 O ATOM 0 H GLU A 67 1.723 -14.681 2.203 1.00 0.00 H new ATOM 0 HA GLU A 67 2.290 -12.154 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.532 -13.522 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.881 -13.337 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.842 -15.696 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.426 -15.759 5.565 1.00 0.00 H new ATOM 964 N PHE A 68 4.616 -12.704 2.894 1.00 0.00 N ATOM 965 CA PHE A 68 6.021 -12.979 2.589 1.00 0.00 C ATOM 966 C PHE A 68 6.944 -11.896 3.144 1.00 0.00 C ATOM 967 O PHE A 68 6.492 -10.826 3.551 1.00 0.00 O ATOM 968 CB PHE A 68 6.201 -13.080 1.081 1.00 0.00 C ATOM 969 CG PHE A 68 5.640 -11.890 0.374 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.404 -10.750 0.210 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.339 -11.901 -0.098 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.879 -9.639 -0.422 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.810 -10.793 -0.726 1.00 0.00 C ATOM 974 CZ PHE A 68 4.579 -9.662 -0.889 1.00 0.00 C ATOM 0 H PHE A 68 4.328 -11.741 2.720 1.00 0.00 H new ATOM 0 HA PHE A 68 6.290 -13.922 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.261 -13.175 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.712 -13.983 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.419 -10.727 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.732 -12.786 0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.484 -8.754 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.793 -10.812 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.166 -8.794 -1.381 1.00 0.00 H new ATOM 984 N THR A 69 8.242 -12.185 3.151 1.00 0.00 N ATOM 985 CA THR A 69 9.238 -11.242 3.648 1.00 0.00 C ATOM 986 C THR A 69 10.309 -10.974 2.593 1.00 0.00 C ATOM 987 O THR A 69 11.050 -11.878 2.203 1.00 0.00 O ATOM 988 CB THR A 69 9.889 -11.780 4.924 1.00 0.00 C ATOM 989 OG1 THR A 69 8.903 -12.196 5.852 1.00 0.00 O ATOM 990 CG2 THR A 69 10.777 -10.769 5.617 1.00 0.00 C ATOM 0 H THR A 69 8.629 -13.068 2.817 1.00 0.00 H new ATOM 0 HA THR A 69 8.731 -10.304 3.874 1.00 0.00 H new ATOM 0 HB THR A 69 10.507 -12.618 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.338 -12.538 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.206 -11.216 6.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.578 -10.466 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.187 -9.896 5.894 1.00 0.00 H new ATOM 998 N ILE A 70 10.390 -9.726 2.137 1.00 0.00 N ATOM 999 CA ILE A 70 11.374 -9.341 1.128 1.00 0.00 C ATOM 1000 C ILE A 70 12.114 -8.077 1.539 1.00 0.00 C ATOM 1001 O ILE A 70 11.658 -7.333 2.408 1.00 0.00 O ATOM 1002 CB ILE A 70 10.722 -9.117 -0.255 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.916 -7.810 -0.282 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.836 -10.297 -0.621 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.744 -7.796 0.675 1.00 0.00 C ATOM 0 H ILE A 70 9.787 -8.965 2.450 1.00 0.00 H new ATOM 0 HA ILE A 70 12.081 -10.167 1.052 1.00 0.00 H new ATOM 0 HB ILE A 70 11.519 -9.036 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.580 -6.980 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.549 -7.641 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.384 -10.124 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.436 -11.206 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.051 -10.409 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.224 -6.841 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.058 -8.604 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.105 -7.932 1.694 1.00 0.00 H new ATOM 1017 N ASP A 71 13.234 -7.814 0.878 1.00 0.00 N ATOM 1018 CA ASP A 71 14.008 -6.610 1.139 1.00 0.00 C ATOM 1019 C ASP A 71 13.629 -5.536 0.128 1.00 0.00 C ATOM 1020 O ASP A 71 13.247 -5.851 -0.994 1.00 0.00 O ATOM 1021 CB ASP A 71 15.508 -6.903 1.052 1.00 0.00 C ATOM 1022 CG ASP A 71 16.154 -7.044 2.416 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.467 -7.502 3.354 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.346 -6.695 2.546 1.00 0.00 O ATOM 0 H ASP A 71 13.626 -8.420 0.157 1.00 0.00 H new ATOM 0 HA ASP A 71 13.785 -6.259 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.663 -7.820 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.000 -6.101 0.502 1.00 0.00 H new ATOM 1029 N VAL A 72 13.764 -4.275 0.507 1.00 0.00 N ATOM 1030 CA VAL A 72 13.462 -3.177 -0.406 1.00 0.00 C ATOM 1031 C VAL A 72 14.390 -1.997 -0.137 1.00 0.00 C ATOM 1032 O VAL A 72 14.596 -1.609 1.011 1.00 0.00 O ATOM 1033 CB VAL A 72 11.991 -2.734 -0.292 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.765 -1.337 -0.868 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.075 -3.744 -0.965 1.00 0.00 C ATOM 0 H VAL A 72 14.078 -3.985 1.433 1.00 0.00 H new ATOM 0 HA VAL A 72 13.624 -3.536 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 72 11.748 -2.689 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.714 -1.067 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.379 -0.617 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.041 -1.329 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.040 -3.414 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.338 -3.828 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.189 -4.716 -0.484 1.00 0.00 H new ATOM 1045 N THR A 73 14.933 -1.407 -1.197 1.00 0.00 N ATOM 1046 CA THR A 73 15.816 -0.259 -1.074 1.00 0.00 C ATOM 1047 C THR A 73 15.620 0.636 -2.291 1.00 0.00 C ATOM 1048 O THR A 73 15.728 0.176 -3.427 1.00 0.00 O ATOM 1049 CB THR A 73 17.280 -0.705 -0.977 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.575 -1.191 0.322 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.265 0.402 -1.291 1.00 0.00 C ATOM 0 H THR A 73 14.773 -1.710 -2.158 1.00 0.00 H new ATOM 0 HA THR A 73 15.573 0.289 -0.163 1.00 0.00 H new ATOM 0 HB THR A 73 17.391 -1.491 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.740 -1.351 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.282 0.020 -1.204 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.098 0.761 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.125 1.224 -0.589 1.00 0.00 H new ATOM 1059 N PHE A 74 15.321 1.903 -2.059 1.00 0.00 N ATOM 1060 CA PHE A 74 15.097 2.834 -3.155 1.00 0.00 C ATOM 1061 C PHE A 74 16.411 3.425 -3.658 1.00 0.00 C ATOM 1062 O PHE A 74 17.212 3.932 -2.873 1.00 0.00 O ATOM 1063 CB PHE A 74 14.151 3.940 -2.704 1.00 0.00 C ATOM 1064 CG PHE A 74 12.742 3.458 -2.510 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.446 2.482 -1.571 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.714 3.983 -3.269 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.146 2.041 -1.396 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.413 3.550 -3.100 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.128 2.578 -2.162 1.00 0.00 C ATOM 0 H PHE A 74 15.228 2.310 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 74 14.643 2.289 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.516 4.366 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.158 4.741 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.238 2.061 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.931 4.743 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.927 1.279 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.620 3.971 -3.701 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.112 2.238 -2.027 1.00 0.00 H new ATOM 1079 N PRO A 75 16.657 3.365 -4.981 1.00 0.00 N ATOM 1080 CA PRO A 75 17.888 3.896 -5.576 1.00 0.00 C ATOM 1081 C PRO A 75 17.999 5.410 -5.442 1.00 0.00 C ATOM 1082 O PRO A 75 17.081 6.073 -4.957 1.00 0.00 O ATOM 1083 CB PRO A 75 17.774 3.504 -7.052 1.00 0.00 C ATOM 1084 CG PRO A 75 16.318 3.302 -7.288 1.00 0.00 C ATOM 1085 CD PRO A 75 15.762 2.776 -5.998 1.00 0.00 C ATOM 0 HA PRO A 75 18.774 3.500 -5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.174 4.285 -7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.337 2.595 -7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.834 4.237 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.148 2.598 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.727 3.084 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.778 1.687 -5.967 1.00 0.00 H new ATOM 1093 N GLU A 76 19.129 5.951 -5.886 1.00 0.00 N ATOM 1094 CA GLU A 76 19.370 7.387 -5.828 1.00 0.00 C ATOM 1095 C GLU A 76 18.537 8.126 -6.877 1.00 0.00 C ATOM 1096 O GLU A 76 18.468 9.354 -6.872 1.00 0.00 O ATOM 1097 CB GLU A 76 20.856 7.682 -6.042 1.00 0.00 C ATOM 1098 CG GLU A 76 21.392 8.800 -5.162 1.00 0.00 C ATOM 1099 CD GLU A 76 22.606 9.480 -5.762 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.774 9.412 -6.998 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.389 10.081 -4.996 1.00 0.00 O ATOM 0 H GLU A 76 19.895 5.413 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 76 19.072 7.740 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.428 6.775 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.018 7.945 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.608 9.540 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.653 8.395 -4.184 1.00 0.00 H new ATOM 1108 N GLU A 77 17.910 7.370 -7.775 1.00 0.00 N ATOM 1109 CA GLU A 77 17.086 7.954 -8.828 1.00 0.00 C ATOM 1110 C GLU A 77 15.659 8.181 -8.334 1.00 0.00 C ATOM 1111 O GLU A 77 15.019 9.174 -8.687 1.00 0.00 O ATOM 1112 CB GLU A 77 17.078 7.047 -10.063 1.00 0.00 C ATOM 1113 CG GLU A 77 18.407 6.355 -10.319 1.00 0.00 C ATOM 1114 CD GLU A 77 18.488 5.736 -11.701 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.516 6.496 -12.692 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.525 4.491 -11.793 1.00 0.00 O ATOM 0 H GLU A 77 17.957 6.351 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 77 17.515 8.918 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.302 6.291 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.813 7.641 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.216 7.076 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.559 5.579 -9.568 1.00 0.00 H new ATOM 1123 N TYR A 78 15.169 7.258 -7.511 1.00 0.00 N ATOM 1124 CA TYR A 78 13.821 7.358 -6.958 1.00 0.00 C ATOM 1125 C TYR A 78 13.707 8.578 -6.055 1.00 0.00 C ATOM 1126 O TYR A 78 13.042 9.558 -6.393 1.00 0.00 O ATOM 1127 CB TYR A 78 13.485 6.089 -6.167 1.00 0.00 C ATOM 1128 CG TYR A 78 12.006 5.806 -6.057 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.182 6.564 -5.227 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.433 4.772 -6.782 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.831 6.292 -5.130 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.085 4.496 -6.690 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.287 5.259 -5.864 1.00 0.00 C ATOM 1134 OH TYR A 78 7.942 4.986 -5.771 1.00 0.00 O ATOM 0 H TYR A 78 15.686 6.431 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 78 13.113 7.465 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.973 5.238 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.903 6.177 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.605 7.375 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.054 4.172 -7.431 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.203 6.886 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.657 3.686 -7.262 1.00 0.00 H new ATOM 0 HH TYR A 78 7.721 4.229 -6.353 1.00 0.00 H new ATOM 1144 N HIS A 79 14.375 8.503 -4.910 1.00 0.00 N ATOM 1145 CA HIS A 79 14.390 9.582 -3.929 1.00 0.00 C ATOM 1146 C HIS A 79 13.057 10.331 -3.841 1.00 0.00 C ATOM 1147 O HIS A 79 12.948 11.473 -4.288 1.00 0.00 O ATOM 1148 CB HIS A 79 15.529 10.548 -4.239 1.00 0.00 C ATOM 1149 CG HIS A 79 16.850 10.060 -3.731 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.947 10.876 -3.560 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.240 8.821 -3.346 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.955 10.162 -3.092 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.553 8.913 -2.953 1.00 0.00 N ATOM 0 H HIS A 79 14.924 7.689 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 79 14.550 9.126 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.591 10.698 -5.317 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.309 11.519 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.632 7.928 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.941 10.537 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.124 8.141 -2.609 1.00 0.00 H new ATOM 1161 N ALA A 80 12.057 9.689 -3.236 1.00 0.00 N ATOM 1162 CA ALA A 80 10.745 10.302 -3.060 1.00 0.00 C ATOM 1163 C ALA A 80 10.754 11.239 -1.852 1.00 0.00 C ATOM 1164 O ALA A 80 11.517 11.045 -0.909 1.00 0.00 O ATOM 1165 CB ALA A 80 9.673 9.235 -2.898 1.00 0.00 C ATOM 0 H ALA A 80 12.133 8.744 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 80 10.515 10.886 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.702 9.712 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.651 8.603 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.897 8.624 -2.024 1.00 0.00 H new ATOM 1171 N GLU A 81 9.916 12.262 -1.897 1.00 0.00 N ATOM 1172 CA GLU A 81 9.843 13.246 -0.818 1.00 0.00 C ATOM 1173 C GLU A 81 9.632 12.611 0.560 1.00 0.00 C ATOM 1174 O GLU A 81 10.051 13.174 1.571 1.00 0.00 O ATOM 1175 CB GLU A 81 8.708 14.237 -1.084 1.00 0.00 C ATOM 1176 CG GLU A 81 8.791 14.930 -2.434 1.00 0.00 C ATOM 1177 CD GLU A 81 7.445 15.448 -2.899 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.055 16.554 -2.472 1.00 0.00 O ATOM 1179 OE2 GLU A 81 6.778 14.745 -3.687 1.00 0.00 O ATOM 0 H GLU A 81 9.273 12.437 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 81 10.806 13.757 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.757 13.709 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.709 14.993 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.495 15.760 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.185 14.233 -3.174 1.00 0.00 H new ATOM 1186 N ASN A 82 8.943 11.475 0.612 1.00 0.00 N ATOM 1187 CA ASN A 82 8.648 10.834 1.895 1.00 0.00 C ATOM 1188 C ASN A 82 9.644 9.743 2.299 1.00 0.00 C ATOM 1189 O ASN A 82 9.921 9.577 3.488 1.00 0.00 O ATOM 1190 CB ASN A 82 7.234 10.252 1.877 1.00 0.00 C ATOM 1191 CG ASN A 82 6.972 9.388 0.660 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.242 9.781 -0.250 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.567 8.202 0.642 1.00 0.00 N ATOM 0 H ASN A 82 8.582 10.983 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 82 8.735 11.621 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.078 9.659 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.510 11.066 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.428 7.573 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.164 7.919 1.419 1.00 0.00 H new ATOM 1200 N LEU A 83 10.155 8.978 1.340 1.00 0.00 N ATOM 1201 CA LEU A 83 11.081 7.889 1.673 1.00 0.00 C ATOM 1202 C LEU A 83 12.322 7.866 0.788 1.00 0.00 C ATOM 1203 O LEU A 83 13.021 6.859 0.717 1.00 0.00 O ATOM 1204 CB LEU A 83 10.345 6.540 1.606 1.00 0.00 C ATOM 1205 CG LEU A 83 10.155 5.905 0.214 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.062 6.938 -0.903 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.272 4.931 -0.073 1.00 0.00 C ATOM 0 H LEU A 83 9.953 9.083 0.346 1.00 0.00 H new ATOM 0 HA LEU A 83 11.433 8.068 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.887 5.829 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.360 6.671 2.054 1.00 0.00 H new ATOM 0 HG LEU A 83 9.202 5.377 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.929 6.430 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.212 7.596 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.978 7.528 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.126 4.490 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.227 5.455 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.271 4.144 0.681 1.00 0.00 H new ATOM 1219 N LYS A 84 12.596 8.975 0.121 1.00 0.00 N ATOM 1220 CA LYS A 84 13.760 9.080 -0.765 1.00 0.00 C ATOM 1221 C LYS A 84 14.951 8.252 -0.276 1.00 0.00 C ATOM 1222 O LYS A 84 15.384 8.377 0.869 1.00 0.00 O ATOM 1223 CB LYS A 84 14.188 10.540 -0.921 1.00 0.00 C ATOM 1224 CG LYS A 84 14.228 11.310 0.386 1.00 0.00 C ATOM 1225 CD LYS A 84 14.829 12.694 0.193 1.00 0.00 C ATOM 1226 CE LYS A 84 14.989 13.424 1.516 1.00 0.00 C ATOM 1227 NZ LYS A 84 13.991 14.517 1.671 1.00 0.00 N ATOM 0 H LYS A 84 12.030 9.822 0.172 1.00 0.00 H new ATOM 0 HA LYS A 84 13.450 8.678 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.176 10.572 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.501 11.039 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.219 11.402 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.814 10.756 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.800 12.605 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.192 13.278 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.882 12.715 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.995 13.839 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.134 14.990 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.110 15.207 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.031 14.119 1.633 1.00 0.00 H new ATOM 1241 N GLY A 85 15.477 7.414 -1.169 1.00 0.00 N ATOM 1242 CA GLY A 85 16.621 6.576 -0.843 1.00 0.00 C ATOM 1243 C GLY A 85 16.474 5.841 0.477 1.00 0.00 C ATOM 1244 O GLY A 85 17.326 5.965 1.356 1.00 0.00 O ATOM 0 H GLY A 85 15.127 7.300 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.768 5.848 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.517 7.195 -0.808 1.00 0.00 H new ATOM 1248 N LYS A 86 15.394 5.076 0.620 1.00 0.00 N ATOM 1249 CA LYS A 86 15.155 4.327 1.848 1.00 0.00 C ATOM 1250 C LYS A 86 15.588 2.870 1.718 1.00 0.00 C ATOM 1251 O LYS A 86 14.774 1.996 1.417 1.00 0.00 O ATOM 1252 CB LYS A 86 13.676 4.381 2.236 1.00 0.00 C ATOM 1253 CG LYS A 86 13.383 3.777 3.602 1.00 0.00 C ATOM 1254 CD LYS A 86 12.527 2.521 3.498 1.00 0.00 C ATOM 1255 CE LYS A 86 11.237 2.779 2.730 1.00 0.00 C ATOM 1256 NZ LYS A 86 10.068 2.089 3.346 1.00 0.00 N ATOM 0 H LYS A 86 14.676 4.960 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 86 15.755 4.797 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.344 5.419 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.091 3.854 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.322 3.536 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.872 4.514 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.095 1.734 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.289 2.159 4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.046 3.852 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.355 2.441 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.238 2.194 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.285 1.079 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.864 2.512 4.274 1.00 0.00 H new ATOM 1270 N ALA A 87 16.861 2.606 1.985 1.00 0.00 N ATOM 1271 CA ALA A 87 17.376 1.247 1.937 1.00 0.00 C ATOM 1272 C ALA A 87 16.906 0.514 3.183 1.00 0.00 C ATOM 1273 O ALA A 87 17.540 0.594 4.235 1.00 0.00 O ATOM 1274 CB ALA A 87 18.898 1.259 1.854 1.00 0.00 C ATOM 0 H ALA A 87 17.552 3.313 2.236 1.00 0.00 H new ATOM 0 HA ALA A 87 17.003 0.735 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.269 0.235 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.209 1.789 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.306 1.763 2.730 1.00 0.00 H new ATOM 1280 N ALA A 88 15.758 -0.151 3.083 1.00 0.00 N ATOM 1281 CA ALA A 88 15.191 -0.831 4.237 1.00 0.00 C ATOM 1282 C ALA A 88 14.817 -2.285 3.976 1.00 0.00 C ATOM 1283 O ALA A 88 15.069 -2.841 2.910 1.00 0.00 O ATOM 1284 CB ALA A 88 13.966 -0.059 4.716 1.00 0.00 C ATOM 0 H ALA A 88 15.211 -0.232 2.226 1.00 0.00 H new ATOM 0 HA ALA A 88 15.966 -0.854 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.534 -0.562 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.260 0.953 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.227 -0.016 3.916 1.00 0.00 H new ATOM 1290 N LYS A 89 14.198 -2.876 4.989 1.00 0.00 N ATOM 1291 CA LYS A 89 13.740 -4.258 4.939 1.00 0.00 C ATOM 1292 C LYS A 89 12.311 -4.310 5.458 1.00 0.00 C ATOM 1293 O LYS A 89 12.001 -3.686 6.472 1.00 0.00 O ATOM 1294 CB LYS A 89 14.652 -5.157 5.781 1.00 0.00 C ATOM 1295 CG LYS A 89 16.069 -5.260 5.241 1.00 0.00 C ATOM 1296 CD LYS A 89 16.918 -4.075 5.676 1.00 0.00 C ATOM 1297 CE LYS A 89 17.862 -4.447 6.809 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.771 -3.324 7.168 1.00 0.00 N ATOM 0 H LYS A 89 13.998 -2.408 5.873 1.00 0.00 H new ATOM 0 HA LYS A 89 13.773 -4.622 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.687 -4.772 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.218 -6.155 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.527 -6.185 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.042 -5.310 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.495 -3.709 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.269 -3.260 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.281 -4.737 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.455 -5.314 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.054 -3.412 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.617 -3.355 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.278 -2.419 7.027 1.00 0.00 H new ATOM 1312 N PHE A 90 11.451 -5.092 4.816 1.00 0.00 N ATOM 1313 CA PHE A 90 10.078 -5.245 5.289 1.00 0.00 C ATOM 1314 C PHE A 90 9.601 -6.685 5.164 1.00 0.00 C ATOM 1315 O PHE A 90 10.193 -7.490 4.445 1.00 0.00 O ATOM 1316 CB PHE A 90 9.100 -4.347 4.527 1.00 0.00 C ATOM 1317 CG PHE A 90 9.703 -3.125 3.910 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.408 -2.213 4.673 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.536 -2.880 2.561 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.939 -1.078 4.100 1.00 0.00 C ATOM 1321 CE2 PHE A 90 10.060 -1.744 1.980 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.764 -0.841 2.750 1.00 0.00 C ATOM 0 H PHE A 90 11.675 -5.625 3.976 1.00 0.00 H new ATOM 0 HA PHE A 90 10.092 -4.949 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.629 -4.936 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.309 -4.037 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.544 -2.392 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.989 -3.586 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.491 -0.374 4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.920 -1.562 0.925 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.177 0.049 2.299 1.00 0.00 H new ATOM 1332 N ALA A 91 8.480 -6.973 5.811 1.00 0.00 N ATOM 1333 CA ALA A 91 7.836 -8.271 5.735 1.00 0.00 C ATOM 1334 C ALA A 91 6.418 -7.968 5.294 1.00 0.00 C ATOM 1335 O ALA A 91 5.624 -7.404 6.046 1.00 0.00 O ATOM 1336 CB ALA A 91 7.862 -8.985 7.081 1.00 0.00 C ATOM 0 H ALA A 91 7.991 -6.305 6.407 1.00 0.00 H new ATOM 0 HA ALA A 91 8.345 -8.942 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.371 -9.954 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.895 -9.130 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.338 -8.382 7.823 1.00 0.00 H new ATOM 1342 N ILE A 92 6.157 -8.228 4.025 1.00 0.00 N ATOM 1343 CA ILE A 92 4.891 -7.863 3.412 1.00 0.00 C ATOM 1344 C ILE A 92 3.848 -8.979 3.336 1.00 0.00 C ATOM 1345 O ILE A 92 4.156 -10.166 3.433 1.00 0.00 O ATOM 1346 CB ILE A 92 5.172 -7.346 1.988 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.262 -6.263 2.034 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.899 -6.842 1.330 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.298 -5.358 0.824 1.00 0.00 C ATOM 0 H ILE A 92 6.810 -8.694 3.395 1.00 0.00 H new ATOM 0 HA ILE A 92 4.454 -7.104 4.061 1.00 0.00 H new ATOM 0 HB ILE A 92 5.538 -8.170 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.112 -5.652 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.233 -6.747 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.126 -6.483 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.174 -7.654 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.482 -6.027 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.096 -4.625 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.481 -5.954 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.343 -4.842 0.727 1.00 0.00 H new ATOM 1361 N ASN A 93 2.604 -8.543 3.127 1.00 0.00 N ATOM 1362 CA ASN A 93 1.453 -9.426 2.986 1.00 0.00 C ATOM 1363 C ASN A 93 0.596 -8.947 1.804 1.00 0.00 C ATOM 1364 O ASN A 93 -0.097 -7.934 1.909 1.00 0.00 O ATOM 1365 CB ASN A 93 0.635 -9.411 4.278 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.437 -10.479 4.328 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.269 -11.512 4.975 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.553 -10.233 3.653 1.00 0.00 N ATOM 0 H ASN A 93 2.369 -7.553 3.051 1.00 0.00 H new ATOM 0 HA ASN A 93 1.786 -10.446 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.307 -9.543 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.167 -8.433 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.313 -10.914 3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.651 -9.363 3.129 1.00 0.00 H new ATOM 1375 N LEU A 94 0.668 -9.652 0.675 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.082 -9.265 -0.524 1.00 0.00 C ATOM 1377 C LEU A 94 -1.587 -9.381 -0.328 1.00 0.00 C ATOM 1378 O LEU A 94 -2.054 -10.117 0.540 1.00 0.00 O ATOM 1379 CB LEU A 94 0.345 -10.119 -1.719 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.028 -9.555 -3.093 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.723 -8.257 -3.353 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.266 -10.573 -4.185 1.00 0.00 C ATOM 0 H LEU A 94 1.236 -10.492 0.564 1.00 0.00 H new ATOM 0 HA LEU A 94 0.149 -8.217 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.426 -10.253 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.103 -11.108 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.097 -9.343 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.448 -7.868 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.463 -7.527 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.796 -8.446 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.005 -10.155 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.328 -10.816 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.314 -11.478 -4.005 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.345 -8.651 -1.153 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.800 -8.679 -1.079 1.00 0.00 C ATOM 1396 C LYS A 95 -4.432 -8.386 -2.452 1.00 0.00 C ATOM 1397 O LYS A 95 -4.347 -9.203 -3.364 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.310 -7.692 -0.021 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.888 -8.030 1.399 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.664 -9.220 1.944 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.743 -8.782 2.921 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.986 -9.589 2.775 1.00 0.00 N ATOM 0 H LYS A 95 -1.971 -8.037 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.101 -9.683 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.949 -6.693 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.399 -7.658 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.821 -8.250 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.047 -7.165 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.120 -9.767 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.978 -9.906 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.368 -8.874 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.973 -7.729 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.697 -9.259 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.358 -9.482 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.772 -10.591 2.954 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.111 -7.246 -2.576 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.797 -6.902 -3.815 1.00 0.00 C ATOM 1418 C LYS A 96 -4.837 -6.524 -4.935 1.00 0.00 C ATOM 1419 O LYS A 96 -4.306 -5.413 -4.970 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.781 -5.757 -3.571 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.760 -5.542 -4.717 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.185 -5.889 -4.315 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.345 -7.377 -4.049 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.355 -7.647 -2.989 1.00 0.00 N ATOM 0 H LYS A 96 -5.199 -6.550 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.334 -7.794 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.341 -5.959 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.221 -4.837 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.717 -4.502 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.463 -6.154 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.458 -5.328 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.871 -5.584 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.641 -7.880 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.385 -7.798 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.434 -8.673 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.060 -7.188 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.278 -7.269 -3.284 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.644 -7.453 -5.866 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.781 -7.241 -7.022 1.00 0.00 C ATOM 1440 C VAL A 97 -4.626 -7.149 -8.296 1.00 0.00 C ATOM 1441 O VAL A 97 -5.157 -8.151 -8.771 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.758 -8.395 -7.161 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.428 -9.749 -6.940 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.065 -8.355 -8.518 1.00 0.00 C ATOM 0 H VAL A 97 -5.082 -8.374 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.238 -6.307 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.000 -8.259 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.688 -10.542 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.859 -9.783 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.216 -9.890 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.352 -9.177 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.808 -8.452 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.538 -7.407 -8.630 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.754 -5.938 -8.838 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.545 -5.720 -10.050 1.00 0.00 C ATOM 1456 C GLU A 98 -4.770 -4.867 -11.061 1.00 0.00 C ATOM 1457 O GLU A 98 -3.766 -4.252 -10.708 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.872 -5.056 -9.682 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.616 -5.777 -8.572 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.702 -4.925 -7.945 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -8.394 -3.797 -7.507 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.860 -5.388 -7.889 1.00 0.00 O ATOM 0 H GLU A 98 -4.322 -5.095 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.749 -6.683 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.683 -4.027 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.507 -5.013 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.060 -6.689 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.907 -6.079 -7.801 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.224 -4.849 -12.322 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.538 -4.088 -13.373 1.00 0.00 C ATOM 1471 C GLU A 99 -5.093 -2.676 -13.547 1.00 0.00 C ATOM 1472 O GLU A 99 -6.114 -2.469 -14.199 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.576 -4.839 -14.709 1.00 0.00 C ATOM 1474 CG GLU A 99 -5.936 -4.848 -15.385 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.989 -3.958 -16.611 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.193 -3.000 -16.685 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -6.828 -4.222 -17.499 1.00 0.00 O ATOM 0 H GLU A 99 -6.056 -5.348 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.503 -3.987 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.850 -4.388 -15.386 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.260 -5.869 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.187 -5.869 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.693 -4.522 -14.672 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.392 -1.700 -12.976 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.798 -0.304 -13.082 1.00 0.00 C ATOM 1486 C ARG A 100 -4.433 0.262 -14.452 1.00 0.00 C ATOM 1487 O ARG A 100 -3.577 -0.281 -15.150 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.135 0.526 -11.981 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.618 0.579 -12.086 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.092 1.987 -11.851 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.162 2.817 -13.050 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.457 3.934 -13.219 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.631 4.357 -12.270 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.576 4.634 -14.336 1.00 0.00 N ATOM 0 H ARG A 100 -3.540 -1.851 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.880 -0.253 -12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.529 1.542 -12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.409 0.112 -11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.178 -0.101 -11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.308 0.234 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.667 2.458 -11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.058 1.933 -11.510 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.787 2.525 -13.801 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.533 3.826 -11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.094 5.213 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.209 4.318 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.034 5.489 -14.462 1.00 0.00 H new