USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 133:sc= 0.588 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.1 USER MOD Set 2.1: A 38 GLN : amide:sc= 0.994 K(o=3.2,f=-7.1!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 159:sc= 2.25 (180deg=0.785) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.013 (180deg=-0.375) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 33 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.23) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0815 X(o=-0.082,f=-0.078) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 SER OG : rot -89:sc= 0.308 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.428 K(o=0.43,f=-0.36) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 7.677 -2.171 7.882 1.00 0.00 N ATOM 153 CA TYR A 23 6.603 -1.522 7.156 1.00 0.00 C ATOM 154 C TYR A 23 5.359 -1.111 7.923 1.00 0.00 C ATOM 155 O TYR A 23 4.862 -1.767 8.836 1.00 0.00 O ATOM 156 CB TYR A 23 6.269 -2.231 5.835 1.00 0.00 C ATOM 157 CG TYR A 23 5.318 -1.506 4.926 1.00 0.00 C ATOM 158 CD1 TYR A 23 5.719 -0.353 4.236 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.007 -1.965 4.719 1.00 0.00 C ATOM 160 CE1 TYR A 23 4.907 0.131 3.196 1.00 0.00 C ATOM 161 CE2 TYR A 23 3.114 -1.401 3.809 1.00 0.00 C ATOM 162 CZ TYR A 23 3.628 -0.408 2.948 1.00 0.00 C ATOM 163 OH TYR A 23 2.842 0.147 1.977 1.00 0.00 O ATOM 0 HA TYR A 23 7.052 -0.554 6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.198 -2.405 5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.847 -3.209 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.636 0.154 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.669 -2.809 5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.271 0.934 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.080 -1.709 3.765 1.00 0.00 H new ATOM 0 HH TYR A 23 1.992 -0.338 1.927 1.00 0.00 H new ATOM 173 N TYR A 24 4.862 0.093 7.614 1.00 0.00 N ATOM 174 CA TYR A 24 4.057 1.018 8.383 1.00 0.00 C ATOM 175 C TYR A 24 2.860 0.469 9.141 1.00 0.00 C ATOM 176 O TYR A 24 2.094 -0.364 8.684 1.00 0.00 O ATOM 177 CB TYR A 24 3.611 2.182 7.494 1.00 0.00 C ATOM 178 CG TYR A 24 4.817 2.894 6.915 1.00 0.00 C ATOM 179 CD1 TYR A 24 5.494 3.712 7.821 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.157 2.935 5.559 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.605 4.450 7.407 1.00 0.00 C ATOM 182 CE2 TYR A 24 6.368 3.527 5.176 1.00 0.00 C ATOM 183 CZ TYR A 24 7.180 4.165 6.148 1.00 0.00 C ATOM 184 OH TYR A 24 8.316 4.747 5.679 1.00 0.00 O ATOM 0 H TYR A 24 5.048 0.482 6.690 1.00 0.00 H new ATOM 0 HA TYR A 24 4.735 1.329 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.978 1.811 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.011 2.883 8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.158 3.774 8.845 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.494 2.516 4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.017 5.224 8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.682 3.497 4.143 1.00 0.00 H new ATOM 0 HH TYR A 24 8.521 4.393 4.788 1.00 0.00 H new ATOM 194 N LYS A 25 2.619 1.039 10.317 1.00 0.00 N ATOM 195 CA LYS A 25 1.557 0.543 11.162 1.00 0.00 C ATOM 196 C LYS A 25 0.214 1.292 11.139 1.00 0.00 C ATOM 197 O LYS A 25 -0.800 0.612 11.274 1.00 0.00 O ATOM 198 CB LYS A 25 2.117 0.452 12.580 1.00 0.00 C ATOM 199 CG LYS A 25 3.247 -0.556 12.589 1.00 0.00 C ATOM 200 CD LYS A 25 3.823 -0.608 13.996 1.00 0.00 C ATOM 201 CE LYS A 25 4.999 -1.578 14.147 1.00 0.00 C ATOM 202 NZ LYS A 25 6.102 -0.983 13.352 1.00 0.00 N ATOM 0 H LYS A 25 3.139 1.831 10.695 1.00 0.00 H new ATOM 0 HA LYS A 25 1.270 -0.424 10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.477 1.427 12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.335 0.150 13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.883 -1.539 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.017 -0.271 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.150 0.392 14.282 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.034 -0.897 14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.284 -1.690 15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.740 -2.571 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.007 -1.406 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.941 -1.169 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.132 0.044 13.514 1.00 0.00 H new ATOM 216 N ILE A 26 0.222 2.605 10.945 1.00 0.00 N ATOM 217 CA ILE A 26 -0.911 3.501 11.043 1.00 0.00 C ATOM 218 C ILE A 26 -1.916 3.093 9.969 1.00 0.00 C ATOM 219 O ILE A 26 -3.100 3.339 10.061 1.00 0.00 O ATOM 220 CB ILE A 26 -0.522 4.945 10.784 1.00 0.00 C ATOM 221 CG1 ILE A 26 0.094 5.325 9.432 1.00 0.00 C ATOM 222 CG2 ILE A 26 0.293 5.412 11.979 1.00 0.00 C ATOM 223 CD1 ILE A 26 0.392 6.796 9.231 1.00 0.00 C ATOM 0 H ILE A 26 1.080 3.099 10.699 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.318 3.431 12.052 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.460 5.491 10.680 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.021 4.766 9.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.583 5.000 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.593 6.449 11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.310 5.334 12.884 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.181 4.788 12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.824 6.948 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.531 7.369 9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.098 7.131 9.991 1.00 0.00 H new ATOM 235 N ILE A 27 -1.355 2.618 8.849 1.00 0.00 N ATOM 236 CA ILE A 27 -2.083 2.129 7.694 1.00 0.00 C ATOM 237 C ILE A 27 -2.978 0.951 8.035 1.00 0.00 C ATOM 238 O ILE A 27 -4.132 0.894 7.605 1.00 0.00 O ATOM 239 CB ILE A 27 -1.205 2.044 6.454 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.467 0.713 6.368 1.00 0.00 C ATOM 241 CG2 ILE A 27 -0.355 3.306 6.374 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.372 0.524 5.110 1.00 0.00 C ATOM 0 H ILE A 27 -0.343 2.566 8.728 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.818 2.872 7.384 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.805 2.030 5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.183 0.618 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.197 -0.095 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.281 3.261 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.005 4.179 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.268 3.382 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.858 -0.451 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.271 0.582 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.130 1.306 5.057 1.00 0.00 H new ATOM 254 N LYS A 28 -2.500 0.049 8.903 1.00 0.00 N ATOM 255 CA LYS A 28 -3.005 -1.292 9.080 1.00 0.00 C ATOM 256 C LYS A 28 -4.515 -1.504 9.178 1.00 0.00 C ATOM 257 O LYS A 28 -5.160 -1.989 8.261 1.00 0.00 O ATOM 258 CB LYS A 28 -2.121 -2.098 10.012 1.00 0.00 C ATOM 259 CG LYS A 28 -2.299 -3.601 9.803 1.00 0.00 C ATOM 260 CD LYS A 28 -1.332 -4.284 10.763 1.00 0.00 C ATOM 261 CE LYS A 28 -1.271 -5.748 10.364 1.00 0.00 C ATOM 262 NZ LYS A 28 -2.448 -6.557 10.746 1.00 0.00 N ATOM 0 H LYS A 28 -1.716 0.257 9.522 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.907 -1.750 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.078 -1.829 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.356 -1.844 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.327 -3.903 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.083 -3.878 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.344 -3.827 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.672 -4.179 11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.145 -5.808 9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.383 -6.193 10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.312 -7.539 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.562 -6.538 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.300 -6.164 10.297 1.00 0.00 H new ATOM 276 N THR A 29 -5.134 -1.157 10.312 1.00 0.00 N ATOM 277 CA THR A 29 -6.519 -1.354 10.713 1.00 0.00 C ATOM 278 C THR A 29 -7.531 -0.820 9.705 1.00 0.00 C ATOM 279 O THR A 29 -8.592 -1.423 9.534 1.00 0.00 O ATOM 280 CB THR A 29 -6.766 -0.786 12.104 1.00 0.00 C ATOM 281 OG1 THR A 29 -5.806 -1.387 12.938 1.00 0.00 O ATOM 282 CG2 THR A 29 -8.109 -1.191 12.724 1.00 0.00 C ATOM 0 H THR A 29 -4.613 -0.679 11.047 1.00 0.00 H new ATOM 0 HA THR A 29 -6.677 -2.432 10.742 1.00 0.00 H new ATOM 0 HB THR A 29 -6.734 0.300 12.019 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.915 -1.056 13.854 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.203 -0.743 13.713 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.923 -0.842 12.089 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.157 -2.276 12.811 1.00 0.00 H new ATOM 290 N ALA A 30 -7.171 0.261 9.017 1.00 0.00 N ATOM 291 CA ALA A 30 -7.965 0.942 8.010 1.00 0.00 C ATOM 292 C ALA A 30 -8.101 0.088 6.764 1.00 0.00 C ATOM 293 O ALA A 30 -9.237 0.046 6.295 1.00 0.00 O ATOM 294 CB ALA A 30 -7.255 2.237 7.648 1.00 0.00 C ATOM 0 H ALA A 30 -6.265 0.707 9.159 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.962 1.137 8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.832 2.769 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.160 2.861 8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.264 2.011 7.256 1.00 0.00 H new ATOM 300 N ARG A 31 -7.103 -0.419 6.043 1.00 0.00 N ATOM 301 CA ARG A 31 -7.377 -1.365 4.983 1.00 0.00 C ATOM 302 C ARG A 31 -8.126 -2.575 5.523 1.00 0.00 C ATOM 303 O ARG A 31 -8.974 -3.106 4.814 1.00 0.00 O ATOM 304 CB ARG A 31 -6.145 -1.611 4.121 1.00 0.00 C ATOM 305 CG ARG A 31 -5.162 -2.483 4.885 1.00 0.00 C ATOM 306 CD ARG A 31 -4.007 -2.951 3.990 1.00 0.00 C ATOM 307 NE ARG A 31 -4.418 -4.135 3.236 1.00 0.00 N ATOM 308 CZ ARG A 31 -3.662 -4.806 2.349 1.00 0.00 C ATOM 309 NH1 ARG A 31 -2.357 -4.540 2.226 1.00 0.00 N ATOM 310 NH2 ARG A 31 -4.288 -5.737 1.605 1.00 0.00 N ATOM 0 H ARG A 31 -6.118 -0.191 6.175 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.078 -0.946 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.431 -2.097 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.677 -0.663 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.763 -1.926 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.683 -3.350 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.718 -2.154 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.132 -3.181 4.599 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.363 -4.483 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.926 -3.822 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.793 -5.055 1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.287 -5.903 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.764 -6.276 0.916 1.00 0.00 H new ATOM 324 N GLU A 32 -7.796 -3.117 6.694 1.00 0.00 N ATOM 325 CA GLU A 32 -8.460 -4.223 7.357 1.00 0.00 C ATOM 326 C GLU A 32 -9.974 -4.086 7.505 1.00 0.00 C ATOM 327 O GLU A 32 -10.581 -5.145 7.585 1.00 0.00 O ATOM 328 CB GLU A 32 -7.693 -4.503 8.641 1.00 0.00 C ATOM 329 CG GLU A 32 -6.392 -5.196 8.284 1.00 0.00 C ATOM 330 CD GLU A 32 -5.547 -5.441 9.538 1.00 0.00 C ATOM 331 OE1 GLU A 32 -5.666 -4.854 10.635 1.00 0.00 O ATOM 332 OE2 GLU A 32 -4.766 -6.407 9.389 1.00 0.00 O ATOM 0 H GLU A 32 -7.005 -2.768 7.235 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.421 -5.105 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.493 -3.573 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.286 -5.130 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.603 -6.145 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.832 -4.586 7.575 1.00 0.00 H new ATOM 339 N GLN A 33 -10.552 -2.905 7.735 1.00 0.00 N ATOM 340 CA GLN A 33 -11.986 -2.730 7.808 1.00 0.00 C ATOM 341 C GLN A 33 -12.646 -3.343 6.568 1.00 0.00 C ATOM 342 O GLN A 33 -13.686 -4.006 6.643 1.00 0.00 O ATOM 343 CB GLN A 33 -12.360 -1.266 7.937 1.00 0.00 C ATOM 344 CG GLN A 33 -11.802 -0.324 8.991 1.00 0.00 C ATOM 345 CD GLN A 33 -11.974 -0.661 10.467 1.00 0.00 C ATOM 346 OE1 GLN A 33 -13.017 -0.365 11.052 1.00 0.00 O ATOM 347 NE2 GLN A 33 -11.028 -1.399 11.057 1.00 0.00 N ATOM 0 H GLN A 33 -10.025 -2.043 7.876 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.348 -3.242 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.131 -0.810 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.444 -1.240 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.734 -0.220 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.252 0.655 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.173 -1.631 10.552 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.161 -1.730 12.012 1.00 0.00 H new ATOM 356 N LEU A 34 -12.035 -3.105 5.410 1.00 0.00 N ATOM 357 CA LEU A 34 -12.387 -3.449 4.055 1.00 0.00 C ATOM 358 C LEU A 34 -11.984 -4.903 3.774 1.00 0.00 C ATOM 359 O LEU A 34 -12.572 -5.659 2.988 1.00 0.00 O ATOM 360 CB LEU A 34 -11.628 -2.511 3.120 1.00 0.00 C ATOM 361 CG LEU A 34 -11.794 -1.017 3.378 1.00 0.00 C ATOM 362 CD1 LEU A 34 -11.081 -0.156 2.336 1.00 0.00 C ATOM 363 CD2 LEU A 34 -13.296 -0.696 3.371 1.00 0.00 C ATOM 0 H LEU A 34 -11.154 -2.591 5.416 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.461 -3.348 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.567 -2.753 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.944 -2.718 2.098 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.341 -0.784 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.233 0.898 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.014 -0.380 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.487 -0.371 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.441 0.369 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.720 -0.959 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.794 -1.270 4.153 1.00 0.00 H new ATOM 375 N GLY A 35 -10.988 -5.313 4.541 1.00 0.00 N ATOM 376 CA GLY A 35 -10.266 -6.554 4.371 1.00 0.00 C ATOM 377 C GLY A 35 -9.626 -6.779 3.005 1.00 0.00 C ATOM 378 O GLY A 35 -9.104 -7.857 2.773 1.00 0.00 O ATOM 0 H GLY A 35 -10.649 -4.764 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.483 -6.601 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.951 -7.379 4.568 1.00 0.00 H new ATOM 382 N ILE A 36 -9.661 -5.807 2.088 1.00 0.00 N ATOM 383 CA ILE A 36 -9.413 -5.948 0.666 1.00 0.00 C ATOM 384 C ILE A 36 -8.003 -6.468 0.476 1.00 0.00 C ATOM 385 O ILE A 36 -7.130 -6.036 1.227 1.00 0.00 O ATOM 386 CB ILE A 36 -9.633 -4.636 -0.079 1.00 0.00 C ATOM 387 CG1 ILE A 36 -8.982 -3.357 0.449 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.141 -4.505 -0.355 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.967 -2.195 -0.538 1.00 0.00 C ATOM 0 H ILE A 36 -9.878 -4.844 2.344 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.124 -6.658 0.243 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.056 -4.722 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.508 -3.043 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.956 -3.581 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.334 -3.574 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.474 -5.347 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.685 -4.501 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.487 -1.332 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.414 -2.484 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.990 -1.937 -0.812 1.00 0.00 H new ATOM 401 N SER A 37 -7.656 -7.266 -0.544 1.00 0.00 N ATOM 402 CA SER A 37 -6.287 -7.639 -0.886 1.00 0.00 C ATOM 403 C SER A 37 -6.046 -7.481 -2.388 1.00 0.00 C ATOM 404 O SER A 37 -6.938 -7.054 -3.125 1.00 0.00 O ATOM 405 CB SER A 37 -6.061 -9.094 -0.523 1.00 0.00 C ATOM 406 OG SER A 37 -6.841 -9.968 -1.293 1.00 0.00 O ATOM 0 H SER A 37 -8.347 -7.680 -1.170 1.00 0.00 H new ATOM 0 HA SER A 37 -5.605 -6.990 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.007 -9.339 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.291 -9.242 0.532 1.00 0.00 H new ATOM 0 HG SER A 37 -6.659 -10.892 -1.024 1.00 0.00 H new ATOM 412 N GLN A 38 -4.841 -7.852 -2.803 1.00 0.00 N ATOM 413 CA GLN A 38 -4.206 -7.533 -4.064 1.00 0.00 C ATOM 414 C GLN A 38 -5.135 -7.137 -5.203 1.00 0.00 C ATOM 415 O GLN A 38 -5.036 -5.959 -5.525 1.00 0.00 O ATOM 416 CB GLN A 38 -3.198 -8.549 -4.605 1.00 0.00 C ATOM 417 CG GLN A 38 -1.993 -8.748 -3.699 1.00 0.00 C ATOM 418 CD GLN A 38 -1.000 -9.721 -4.342 1.00 0.00 C ATOM 419 OE1 GLN A 38 -0.347 -9.433 -5.337 1.00 0.00 O ATOM 420 NE2 GLN A 38 -0.964 -10.923 -3.803 1.00 0.00 N ATOM 0 H GLN A 38 -4.240 -8.429 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.655 -6.651 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.699 -9.507 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.855 -8.222 -5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.506 -7.790 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.316 -9.133 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.522 -11.127 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.378 -11.649 -4.215 1.00 0.00 H new ATOM 429 N GLN A 39 -6.083 -7.931 -5.720 1.00 0.00 N ATOM 430 CA GLN A 39 -6.893 -7.621 -6.885 1.00 0.00 C ATOM 431 C GLN A 39 -7.667 -6.332 -6.634 1.00 0.00 C ATOM 432 O GLN A 39 -7.649 -5.466 -7.503 1.00 0.00 O ATOM 433 CB GLN A 39 -7.794 -8.787 -7.230 1.00 0.00 C ATOM 434 CG GLN A 39 -7.005 -10.057 -7.554 1.00 0.00 C ATOM 435 CD GLN A 39 -7.946 -11.258 -7.704 1.00 0.00 C ATOM 436 OE1 GLN A 39 -8.109 -12.000 -6.746 1.00 0.00 O ATOM 437 NE2 GLN A 39 -8.423 -11.455 -8.933 1.00 0.00 N ATOM 0 H GLN A 39 -6.308 -8.840 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.253 -7.459 -7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.466 -8.983 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.417 -8.521 -8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.440 -9.915 -8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.281 -10.253 -6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.232 -10.775 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.979 -12.286 -9.137 1.00 0.00 H new ATOM 446 N GLN A 40 -8.392 -6.233 -5.513 1.00 0.00 N ATOM 447 CA GLN A 40 -9.158 -5.046 -5.172 1.00 0.00 C ATOM 448 C GLN A 40 -8.232 -3.866 -4.880 1.00 0.00 C ATOM 449 O GLN A 40 -8.726 -2.742 -4.895 1.00 0.00 O ATOM 450 CB GLN A 40 -10.019 -5.385 -3.948 1.00 0.00 C ATOM 451 CG GLN A 40 -11.311 -6.004 -4.475 1.00 0.00 C ATOM 452 CD GLN A 40 -12.286 -6.433 -3.388 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.366 -5.896 -3.193 1.00 0.00 O ATOM 454 NE2 GLN A 40 -11.960 -7.448 -2.586 1.00 0.00 N ATOM 0 H GLN A 40 -8.459 -6.979 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.792 -4.752 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.498 -6.080 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.230 -4.489 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.806 -5.285 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.062 -6.871 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.069 -7.929 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.602 -7.743 -1.850 1.00 0.00 H new ATOM 463 N LEU A 41 -7.022 -4.095 -4.388 1.00 0.00 N ATOM 464 CA LEU A 41 -6.126 -3.098 -3.832 1.00 0.00 C ATOM 465 C LEU A 41 -5.368 -2.335 -4.916 1.00 0.00 C ATOM 466 O LEU A 41 -4.892 -1.225 -4.717 1.00 0.00 O ATOM 467 CB LEU A 41 -5.170 -3.816 -2.882 1.00 0.00 C ATOM 468 CG LEU A 41 -4.429 -2.980 -1.847 1.00 0.00 C ATOM 469 CD1 LEU A 41 -5.341 -2.366 -0.785 1.00 0.00 C ATOM 470 CD2 LEU A 41 -3.379 -3.879 -1.176 1.00 0.00 C ATOM 0 H LEU A 41 -6.621 -5.032 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.703 -2.346 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.738 -4.579 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.426 -4.336 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.970 -2.139 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.743 -1.785 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.071 -1.715 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.860 -3.160 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.832 -3.304 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.876 -4.721 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.683 -4.250 -1.929 1.00 0.00 H new ATOM 482 N ALA A 42 -5.215 -2.940 -6.099 1.00 0.00 N ATOM 483 CA ALA A 42 -5.028 -2.412 -7.426 1.00 0.00 C ATOM 484 C ALA A 42 -6.106 -1.399 -7.770 1.00 0.00 C ATOM 485 O ALA A 42 -5.676 -0.324 -8.201 1.00 0.00 O ATOM 486 CB ALA A 42 -4.972 -3.625 -8.344 1.00 0.00 C ATOM 0 H ALA A 42 -5.223 -3.959 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.105 -1.841 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.831 -3.296 -9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.140 -4.265 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.905 -4.183 -8.266 1.00 0.00 H new ATOM 492 N GLN A 43 -7.375 -1.696 -7.489 1.00 0.00 N ATOM 493 CA GLN A 43 -8.444 -0.757 -7.761 1.00 0.00 C ATOM 494 C GLN A 43 -8.488 0.322 -6.705 1.00 0.00 C ATOM 495 O GLN A 43 -9.041 1.402 -6.913 1.00 0.00 O ATOM 496 CB GLN A 43 -9.783 -1.495 -7.898 1.00 0.00 C ATOM 497 CG GLN A 43 -9.701 -2.693 -8.843 1.00 0.00 C ATOM 498 CD GLN A 43 -11.055 -3.228 -9.264 1.00 0.00 C ATOM 499 OE1 GLN A 43 -11.806 -3.742 -8.436 1.00 0.00 O ATOM 500 NE2 GLN A 43 -11.523 -3.276 -10.515 1.00 0.00 N ATOM 0 H GLN A 43 -7.679 -2.577 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.249 -0.262 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.109 -1.834 -6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.540 -0.801 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.141 -2.406 -9.733 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.140 -3.491 -8.357 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.977 -2.878 -11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.426 -3.711 -10.705 1.00 0.00 H new ATOM 509 N LYS A 44 -7.938 0.113 -5.507 1.00 0.00 N ATOM 510 CA LYS A 44 -8.175 1.050 -4.426 1.00 0.00 C ATOM 511 C LYS A 44 -7.164 2.173 -4.642 1.00 0.00 C ATOM 512 O LYS A 44 -7.328 3.247 -4.049 1.00 0.00 O ATOM 513 CB LYS A 44 -8.119 0.503 -3.004 1.00 0.00 C ATOM 514 CG LYS A 44 -8.792 1.327 -1.913 1.00 0.00 C ATOM 515 CD LYS A 44 -10.319 1.247 -2.003 1.00 0.00 C ATOM 516 CE LYS A 44 -11.084 2.114 -1.011 1.00 0.00 C ATOM 517 NZ LYS A 44 -11.276 3.474 -1.522 1.00 0.00 N ATOM 0 H LYS A 44 -7.340 -0.679 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.214 1.374 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.571 -0.489 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.071 0.375 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.466 0.972 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.477 2.367 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.621 1.528 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.620 0.209 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.054 1.662 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.542 2.152 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.800 4.037 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.350 3.913 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.815 3.438 -2.411 1.00 0.00 H new ATOM 531 N LEU A 45 -6.188 1.962 -5.527 1.00 0.00 N ATOM 532 CA LEU A 45 -5.076 2.857 -5.766 1.00 0.00 C ATOM 533 C LEU A 45 -5.086 3.155 -7.258 1.00 0.00 C ATOM 534 O LEU A 45 -4.450 4.123 -7.675 1.00 0.00 O ATOM 535 CB LEU A 45 -3.807 2.131 -5.305 1.00 0.00 C ATOM 536 CG LEU A 45 -2.599 3.066 -5.272 1.00 0.00 C ATOM 537 CD1 LEU A 45 -2.844 4.323 -4.435 1.00 0.00 C ATOM 538 CD2 LEU A 45 -1.329 2.362 -4.820 1.00 0.00 C ATOM 0 H LEU A 45 -6.158 1.129 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.132 3.801 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.969 1.711 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.602 1.296 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.454 3.384 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.952 4.949 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.684 4.879 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.071 4.038 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.502 3.072 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.472 1.963 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.102 1.545 -5.505 1.00 0.00 H new ATOM 550 N LYS A 46 -5.899 2.450 -8.047 1.00 0.00 N ATOM 551 CA LYS A 46 -6.167 2.543 -9.468 1.00 0.00 C ATOM 552 C LYS A 46 -4.904 2.388 -10.307 1.00 0.00 C ATOM 553 O LYS A 46 -4.542 3.178 -11.174 1.00 0.00 O ATOM 554 CB LYS A 46 -6.909 3.819 -9.860 1.00 0.00 C ATOM 555 CG LYS A 46 -8.097 4.156 -8.977 1.00 0.00 C ATOM 556 CD LYS A 46 -9.235 5.014 -9.514 1.00 0.00 C ATOM 557 CE LYS A 46 -8.680 6.383 -9.904 1.00 0.00 C ATOM 558 NZ LYS A 46 -9.759 7.289 -10.317 1.00 0.00 N ATOM 0 H LYS A 46 -6.457 1.700 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.828 1.704 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.208 4.653 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.254 3.721 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.532 3.212 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.708 4.655 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.694 4.533 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.013 5.124 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.141 6.814 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.963 6.271 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.357 8.212 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.257 6.885 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.429 7.412 -9.531 1.00 0.00 H new ATOM 572 N VAL A 47 -4.249 1.277 -9.981 1.00 0.00 N ATOM 573 CA VAL A 47 -3.007 0.678 -10.417 1.00 0.00 C ATOM 574 C VAL A 47 -3.174 -0.751 -10.913 1.00 0.00 C ATOM 575 O VAL A 47 -4.250 -1.308 -10.706 1.00 0.00 O ATOM 576 CB VAL A 47 -1.873 0.708 -9.405 1.00 0.00 C ATOM 577 CG1 VAL A 47 -1.741 2.151 -8.910 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.973 -0.165 -8.152 1.00 0.00 C ATOM 0 H VAL A 47 -4.667 0.674 -9.272 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.720 1.329 -11.243 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.029 0.298 -9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.934 2.213 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.518 2.806 -9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.676 2.463 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.083 -0.024 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.856 0.119 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.051 -1.212 -8.444 1.00 0.00 H new ATOM 588 N SER A 48 -2.129 -1.437 -11.407 1.00 0.00 N ATOM 589 CA SER A 48 -2.115 -2.851 -11.677 1.00 0.00 C ATOM 590 C SER A 48 -1.849 -3.771 -10.498 1.00 0.00 C ATOM 591 O SER A 48 -1.118 -3.368 -9.592 1.00 0.00 O ATOM 592 CB SER A 48 -1.071 -3.128 -12.751 1.00 0.00 C ATOM 593 OG SER A 48 0.239 -2.694 -12.466 1.00 0.00 O ATOM 0 H SER A 48 -1.243 -0.985 -11.632 1.00 0.00 H new ATOM 0 HA SER A 48 -3.134 -3.084 -11.987 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.045 -4.202 -12.935 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.396 -2.653 -13.677 1.00 0.00 H new ATOM 0 HG SER A 48 0.829 -2.921 -13.215 1.00 0.00 H new ATOM 599 N GLU A 49 -2.218 -5.051 -10.575 1.00 0.00 N ATOM 600 CA GLU A 49 -1.736 -5.946 -9.536 1.00 0.00 C ATOM 601 C GLU A 49 -0.233 -6.155 -9.467 1.00 0.00 C ATOM 602 O GLU A 49 0.298 -6.733 -8.522 1.00 0.00 O ATOM 603 CB GLU A 49 -2.436 -7.297 -9.654 1.00 0.00 C ATOM 604 CG GLU A 49 -3.941 -7.286 -9.470 1.00 0.00 C ATOM 605 CD GLU A 49 -4.780 -7.204 -10.747 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.497 -6.345 -11.599 1.00 0.00 O ATOM 607 OE2 GLU A 49 -5.817 -7.872 -10.902 1.00 0.00 O ATOM 0 H GLU A 49 -2.809 -5.466 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.985 -5.438 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.213 -7.714 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.005 -7.973 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.226 -8.189 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.202 -6.440 -8.835 1.00 0.00 H new ATOM 614 N ASN A 50 0.508 -5.765 -10.508 1.00 0.00 N ATOM 615 CA ASN A 50 1.954 -5.740 -10.473 1.00 0.00 C ATOM 616 C ASN A 50 2.518 -4.500 -9.787 1.00 0.00 C ATOM 617 O ASN A 50 3.543 -4.598 -9.116 1.00 0.00 O ATOM 618 CB ASN A 50 2.457 -6.020 -11.881 1.00 0.00 C ATOM 619 CG ASN A 50 3.963 -6.234 -11.910 1.00 0.00 C ATOM 620 OD1 ASN A 50 4.582 -6.994 -11.161 1.00 0.00 O ATOM 621 ND2 ASN A 50 4.663 -5.599 -12.848 1.00 0.00 N ATOM 0 H ASN A 50 0.111 -5.459 -11.396 1.00 0.00 H new ATOM 0 HA ASN A 50 2.340 -6.529 -9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.956 -6.904 -12.277 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.196 -5.187 -12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.669 -5.751 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.193 -4.961 -13.490 1.00 0.00 H new ATOM 628 N ILE A 51 1.758 -3.418 -9.731 1.00 0.00 N ATOM 629 CA ILE A 51 2.144 -2.211 -9.021 1.00 0.00 C ATOM 630 C ILE A 51 2.153 -2.391 -7.500 1.00 0.00 C ATOM 631 O ILE A 51 3.057 -1.867 -6.858 1.00 0.00 O ATOM 632 CB ILE A 51 1.386 -0.996 -9.524 1.00 0.00 C ATOM 633 CG1 ILE A 51 2.156 -0.453 -10.742 1.00 0.00 C ATOM 634 CG2 ILE A 51 1.430 0.100 -8.461 1.00 0.00 C ATOM 635 CD1 ILE A 51 1.444 0.636 -11.533 1.00 0.00 C ATOM 0 H ILE A 51 0.846 -3.353 -10.183 1.00 0.00 H new ATOM 0 HA ILE A 51 3.188 -2.008 -9.259 1.00 0.00 H new ATOM 0 HB ILE A 51 0.357 -1.266 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.114 -0.062 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.372 -1.284 -11.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.887 0.975 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.968 -0.264 -7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.466 0.373 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.071 0.948 -12.368 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.498 0.250 -11.914 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.252 1.491 -10.884 1.00 0.00 H new ATOM 647 N VAL A 52 1.137 -3.047 -6.917 1.00 0.00 N ATOM 648 CA VAL A 52 1.012 -3.256 -5.492 1.00 0.00 C ATOM 649 C VAL A 52 2.003 -4.191 -4.805 1.00 0.00 C ATOM 650 O VAL A 52 2.344 -3.993 -3.653 1.00 0.00 O ATOM 651 CB VAL A 52 -0.382 -3.641 -5.035 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.172 -2.341 -5.218 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.931 -4.904 -5.689 1.00 0.00 C ATOM 0 H VAL A 52 0.367 -3.452 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 52 1.268 -2.248 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.435 -3.975 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.207 -2.499 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.730 -1.557 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.141 -2.041 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.931 -5.107 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.978 -4.764 -6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.277 -5.746 -5.460 1.00 0.00 H new ATOM 663 N LYS A 53 2.596 -5.173 -5.516 1.00 0.00 N ATOM 664 CA LYS A 53 3.554 -6.157 -5.112 1.00 0.00 C ATOM 665 C LYS A 53 4.690 -5.679 -4.201 1.00 0.00 C ATOM 666 O LYS A 53 4.771 -6.206 -3.103 1.00 0.00 O ATOM 667 CB LYS A 53 4.039 -6.927 -6.337 1.00 0.00 C ATOM 668 CG LYS A 53 2.992 -8.031 -6.549 1.00 0.00 C ATOM 669 CD LYS A 53 3.128 -8.756 -7.869 1.00 0.00 C ATOM 670 CE LYS A 53 2.100 -9.821 -8.200 1.00 0.00 C ATOM 671 NZ LYS A 53 0.715 -9.492 -7.839 1.00 0.00 N ATOM 0 H LYS A 53 2.368 -5.285 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 53 3.022 -6.832 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.111 -6.277 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.030 -7.349 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.071 -8.755 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.997 -7.591 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.106 -8.011 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.113 -9.222 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.141 -10.021 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.381 -10.744 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.062 -10.078 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.567 -9.678 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.534 -8.487 -8.037 1.00 0.00 H new ATOM 685 N ARG A 54 5.418 -4.594 -4.439 1.00 0.00 N ATOM 686 CA ARG A 54 6.484 -4.118 -3.575 1.00 0.00 C ATOM 687 C ARG A 54 5.955 -3.762 -2.200 1.00 0.00 C ATOM 688 O ARG A 54 6.641 -4.048 -1.215 1.00 0.00 O ATOM 689 CB ARG A 54 7.028 -2.877 -4.262 1.00 0.00 C ATOM 690 CG ARG A 54 8.202 -3.249 -5.180 1.00 0.00 C ATOM 691 CD ARG A 54 8.546 -2.181 -6.222 1.00 0.00 C ATOM 692 NE ARG A 54 9.570 -2.641 -7.153 1.00 0.00 N ATOM 693 CZ ARG A 54 9.492 -3.065 -8.420 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.302 -3.367 -8.949 1.00 0.00 N ATOM 695 NH2 ARG A 54 10.558 -3.422 -9.154 1.00 0.00 N ATOM 0 H ARG A 54 5.277 -4.007 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 54 7.248 -4.881 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.239 -2.400 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.356 -2.154 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.083 -3.439 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.965 -4.180 -5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.647 -1.911 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.893 -1.279 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 54 10.515 -2.639 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.456 -3.274 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.240 -3.690 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.493 -3.378 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.432 -3.737 -10.116 1.00 0.00 H new ATOM 709 N PHE A 55 4.772 -3.146 -2.103 1.00 0.00 N ATOM 710 CA PHE A 55 4.338 -2.576 -0.857 1.00 0.00 C ATOM 711 C PHE A 55 3.741 -3.697 -0.016 1.00 0.00 C ATOM 712 O PHE A 55 3.645 -3.628 1.208 1.00 0.00 O ATOM 713 CB PHE A 55 3.223 -1.556 -1.086 1.00 0.00 C ATOM 714 CG PHE A 55 3.324 -0.399 -2.056 1.00 0.00 C ATOM 715 CD1 PHE A 55 4.457 0.408 -2.032 1.00 0.00 C ATOM 716 CD2 PHE A 55 2.389 -0.317 -3.089 1.00 0.00 C ATOM 717 CE1 PHE A 55 4.663 1.334 -3.063 1.00 0.00 C ATOM 718 CE2 PHE A 55 2.537 0.692 -4.052 1.00 0.00 C ATOM 719 CZ PHE A 55 3.684 1.503 -4.037 1.00 0.00 C ATOM 0 H PHE A 55 4.114 -3.038 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 55 5.188 -2.093 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.344 -2.127 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.005 -1.119 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.171 0.321 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.568 -1.016 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.574 1.912 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.774 0.845 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.807 2.267 -4.791 1.00 0.00 H new ATOM 729 N GLU A 56 3.086 -4.680 -0.660 1.00 0.00 N ATOM 730 CA GLU A 56 2.532 -5.835 0.001 1.00 0.00 C ATOM 731 C GLU A 56 3.665 -6.662 0.595 1.00 0.00 C ATOM 732 O GLU A 56 3.635 -7.045 1.758 1.00 0.00 O ATOM 733 CB GLU A 56 1.725 -6.552 -1.072 1.00 0.00 C ATOM 734 CG GLU A 56 0.803 -7.602 -0.465 1.00 0.00 C ATOM 735 CD GLU A 56 -0.011 -6.981 0.656 1.00 0.00 C ATOM 736 OE1 GLU A 56 -0.903 -6.144 0.438 1.00 0.00 O ATOM 737 OE2 GLU A 56 0.210 -7.429 1.810 1.00 0.00 O ATOM 0 H GLU A 56 2.934 -4.677 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 56 1.881 -5.603 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.134 -5.826 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.402 -7.027 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.139 -8.003 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.389 -8.437 -0.082 1.00 0.00 H new ATOM 744 N SER A 57 4.725 -6.978 -0.160 1.00 0.00 N ATOM 745 CA SER A 57 5.705 -7.963 0.255 1.00 0.00 C ATOM 746 C SER A 57 6.719 -7.409 1.245 1.00 0.00 C ATOM 747 O SER A 57 7.169 -8.151 2.135 1.00 0.00 O ATOM 748 CB SER A 57 6.377 -8.430 -1.033 1.00 0.00 C ATOM 749 OG SER A 57 7.040 -7.375 -1.669 1.00 0.00 O ATOM 0 H SER A 57 4.918 -6.556 -1.068 1.00 0.00 H new ATOM 0 HA SER A 57 5.225 -8.784 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.087 -9.226 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.629 -8.851 -1.705 1.00 0.00 H new ATOM 0 HG SER A 57 6.424 -6.925 -2.284 1.00 0.00 H new ATOM 755 N GLY A 58 7.005 -6.117 1.191 1.00 0.00 N ATOM 756 CA GLY A 58 8.097 -5.554 1.968 1.00 0.00 C ATOM 757 C GLY A 58 9.385 -5.490 1.139 1.00 0.00 C ATOM 758 O GLY A 58 10.435 -5.087 1.622 1.00 0.00 O ATOM 0 H GLY A 58 6.498 -5.441 0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.829 -4.554 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.264 -6.159 2.859 1.00 0.00 H new ATOM 762 N LYS A 59 9.275 -5.837 -0.148 1.00 0.00 N ATOM 763 CA LYS A 59 10.317 -5.971 -1.141 1.00 0.00 C ATOM 764 C LYS A 59 10.524 -4.693 -1.942 1.00 0.00 C ATOM 765 O LYS A 59 10.592 -4.760 -3.163 1.00 0.00 O ATOM 766 CB LYS A 59 10.187 -7.193 -2.055 1.00 0.00 C ATOM 767 CG LYS A 59 10.321 -8.597 -1.450 1.00 0.00 C ATOM 768 CD LYS A 59 10.221 -9.689 -2.507 1.00 0.00 C ATOM 769 CE LYS A 59 10.341 -11.080 -1.917 1.00 0.00 C ATOM 770 NZ LYS A 59 11.697 -11.390 -1.463 1.00 0.00 N ATOM 0 H LYS A 59 8.360 -6.049 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 59 11.218 -6.152 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.213 -7.137 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.940 -7.099 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.278 -8.679 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.542 -8.745 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.268 -9.600 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.005 -9.544 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.652 -11.174 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.036 -11.814 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.720 -12.352 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.355 -11.329 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.982 -10.709 -0.730 1.00 0.00 H new ATOM 784 N LEU A 60 10.756 -3.634 -1.165 1.00 0.00 N ATOM 785 CA LEU A 60 10.774 -2.234 -1.470 1.00 0.00 C ATOM 786 C LEU A 60 11.859 -1.598 -0.609 1.00 0.00 C ATOM 787 O LEU A 60 11.833 -1.894 0.587 1.00 0.00 O ATOM 788 CB LEU A 60 9.431 -1.701 -0.988 1.00 0.00 C ATOM 789 CG LEU A 60 9.294 -0.192 -1.153 1.00 0.00 C ATOM 790 CD1 LEU A 60 9.309 0.303 -2.601 1.00 0.00 C ATOM 791 CD2 LEU A 60 8.060 0.197 -0.341 1.00 0.00 C ATOM 0 H LEU A 60 10.962 -3.778 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 60 10.950 -2.031 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.631 -2.195 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.300 -1.959 0.063 1.00 0.00 H new ATOM 0 HG LEU A 60 10.176 0.321 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.206 1.388 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.251 0.021 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.481 -0.147 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.900 1.273 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.188 -0.327 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.210 -0.077 0.703 1.00 0.00 H new ATOM 803 N LYS A 61 12.754 -0.794 -1.171 1.00 0.00 N ATOM 804 CA LYS A 61 13.486 0.177 -0.382 1.00 0.00 C ATOM 805 C LYS A 61 12.925 1.585 -0.231 1.00 0.00 C ATOM 806 O LYS A 61 12.498 2.237 -1.182 1.00 0.00 O ATOM 807 CB LYS A 61 14.862 0.219 -1.039 1.00 0.00 C ATOM 808 CG LYS A 61 15.886 1.080 -0.315 1.00 0.00 C ATOM 809 CD LYS A 61 17.319 0.641 -0.608 1.00 0.00 C ATOM 810 CE LYS A 61 18.453 1.616 -0.294 1.00 0.00 C ATOM 811 NZ LYS A 61 19.725 1.253 -0.959 1.00 0.00 N ATOM 0 H LYS A 61 12.986 -0.798 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 61 13.452 -0.157 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.247 -0.798 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.752 0.589 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.759 2.121 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.705 1.031 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.506 -0.277 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.380 0.390 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 61 18.160 2.619 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.609 1.649 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.457 1.948 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.024 0.308 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.589 1.248 -1.990 1.00 0.00 H new ATOM 825 N PRO A 62 12.806 2.097 0.996 1.00 0.00 N ATOM 826 CA PRO A 62 12.279 3.407 1.356 1.00 0.00 C ATOM 827 C PRO A 62 13.451 4.375 1.424 1.00 0.00 C ATOM 828 O PRO A 62 14.625 4.090 1.199 1.00 0.00 O ATOM 829 CB PRO A 62 11.531 3.226 2.666 1.00 0.00 C ATOM 830 CG PRO A 62 12.384 2.157 3.355 1.00 0.00 C ATOM 831 CD PRO A 62 12.929 1.311 2.209 1.00 0.00 C ATOM 0 HA PRO A 62 11.578 3.825 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.484 4.149 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.504 2.895 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.190 2.605 3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.789 1.557 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.970 1.044 2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.371 0.379 2.121 1.00 0.00 H new ATOM 839 N THR A 63 13.136 5.582 1.909 1.00 0.00 N ATOM 840 CA THR A 63 14.004 6.727 2.086 1.00 0.00 C ATOM 841 C THR A 63 13.466 7.667 3.150 1.00 0.00 C ATOM 842 O THR A 63 12.273 7.597 3.456 1.00 0.00 O ATOM 843 CB THR A 63 14.439 7.483 0.835 1.00 0.00 C ATOM 844 OG1 THR A 63 13.363 8.258 0.348 1.00 0.00 O ATOM 845 CG2 THR A 63 14.931 6.724 -0.395 1.00 0.00 C ATOM 0 H THR A 63 12.184 5.788 2.210 1.00 0.00 H new ATOM 0 HA THR A 63 14.937 6.275 2.423 1.00 0.00 H new ATOM 0 HB THR A 63 15.305 8.014 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.676 9.166 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.194 7.434 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.808 6.133 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.143 6.062 -0.754 1.00 0.00 H new ATOM 853 N ILE A 64 14.235 8.698 3.485 1.00 0.00 N ATOM 854 CA ILE A 64 13.840 9.859 4.255 1.00 0.00 C ATOM 855 C ILE A 64 12.765 10.702 3.585 1.00 0.00 C ATOM 856 O ILE A 64 11.791 11.026 4.269 1.00 0.00 O ATOM 857 CB ILE A 64 15.042 10.674 4.736 1.00 0.00 C ATOM 858 CG1 ILE A 64 16.017 11.044 3.622 1.00 0.00 C ATOM 859 CG2 ILE A 64 15.659 9.758 5.791 1.00 0.00 C ATOM 860 CD1 ILE A 64 17.105 12.063 3.944 1.00 0.00 C ATOM 0 H ILE A 64 15.215 8.742 3.204 1.00 0.00 H new ATOM 0 HA ILE A 64 13.360 9.470 5.153 1.00 0.00 H new ATOM 0 HB ILE A 64 14.759 11.652 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 64 16.503 10.129 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.437 11.426 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.541 10.236 6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.931 9.570 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.945 8.813 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.722 12.228 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.645 13.004 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.727 11.687 4.756 1.00 0.00 H new ATOM 872 N SER A 65 12.831 10.996 2.290 1.00 0.00 N ATOM 873 CA SER A 65 11.739 11.516 1.480 1.00 0.00 C ATOM 874 C SER A 65 10.619 10.511 1.313 1.00 0.00 C ATOM 875 O SER A 65 9.443 10.846 1.488 1.00 0.00 O ATOM 876 CB SER A 65 12.181 12.064 0.117 1.00 0.00 C ATOM 877 OG SER A 65 12.895 11.102 -0.612 1.00 0.00 O ATOM 0 H SER A 65 13.689 10.871 1.753 1.00 0.00 H new ATOM 0 HA SER A 65 11.357 12.366 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.306 12.379 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.802 12.948 0.262 1.00 0.00 H new ATOM 0 HG SER A 65 13.162 11.479 -1.476 1.00 0.00 H new ATOM 883 N GLN A 66 10.728 9.181 1.142 1.00 0.00 N ATOM 884 CA GLN A 66 9.642 8.278 0.812 1.00 0.00 C ATOM 885 C GLN A 66 8.620 8.055 1.918 1.00 0.00 C ATOM 886 O GLN A 66 7.525 7.621 1.573 1.00 0.00 O ATOM 887 CB GLN A 66 10.144 6.966 0.224 1.00 0.00 C ATOM 888 CG GLN A 66 10.672 6.966 -1.216 1.00 0.00 C ATOM 889 CD GLN A 66 9.678 6.972 -2.355 1.00 0.00 C ATOM 890 OE1 GLN A 66 8.755 6.186 -2.497 1.00 0.00 O ATOM 891 NE2 GLN A 66 9.904 7.883 -3.314 1.00 0.00 N ATOM 0 H GLN A 66 11.621 8.698 1.237 1.00 0.00 H new ATOM 0 HA GLN A 66 9.086 8.804 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.941 6.596 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.329 6.244 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.313 7.840 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.306 6.087 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.670 8.549 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.310 7.910 -4.142 1.00 0.00 H new ATOM 900 N ALA A 67 8.913 8.159 3.227 1.00 0.00 N ATOM 901 CA ALA A 67 8.065 7.655 4.283 1.00 0.00 C ATOM 902 C ALA A 67 6.641 8.191 4.255 1.00 0.00 C ATOM 903 O ALA A 67 5.717 7.388 4.114 1.00 0.00 O ATOM 904 CB ALA A 67 8.894 7.835 5.552 1.00 0.00 C ATOM 0 H ALA A 67 9.764 8.606 3.569 1.00 0.00 H new ATOM 0 HA ALA A 67 7.815 6.599 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.327 7.477 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.820 7.266 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.129 8.891 5.687 1.00 0.00 H new ATOM 910 N ARG A 68 6.414 9.457 4.643 1.00 0.00 N ATOM 911 CA ARG A 68 5.123 10.120 4.704 1.00 0.00 C ATOM 912 C ARG A 68 4.388 9.949 3.375 1.00 0.00 C ATOM 913 O ARG A 68 3.164 10.021 3.416 1.00 0.00 O ATOM 914 CB ARG A 68 5.167 11.624 4.993 1.00 0.00 C ATOM 915 CG ARG A 68 5.950 12.111 6.203 1.00 0.00 C ATOM 916 CD ARG A 68 5.311 11.614 7.492 1.00 0.00 C ATOM 917 NE ARG A 68 5.593 10.202 7.736 1.00 0.00 N ATOM 918 CZ ARG A 68 6.699 9.676 8.265 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.734 10.436 8.684 1.00 0.00 N ATOM 920 NH2 ARG A 68 6.760 8.361 8.513 1.00 0.00 N ATOM 0 H ARG A 68 7.175 10.069 4.936 1.00 0.00 H new ATOM 0 HA ARG A 68 4.617 9.641 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.577 12.118 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.139 11.970 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.980 11.759 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.986 13.200 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.678 12.207 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.233 11.765 7.443 1.00 0.00 H new ATOM 0 HE ARG A 68 4.861 9.543 7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.687 11.452 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.562 9.994 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.962 7.764 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.605 7.957 8.917 1.00 0.00 H new ATOM 934 N GLN A 69 5.100 9.672 2.269 1.00 0.00 N ATOM 935 CA GLN A 69 4.521 9.467 0.957 1.00 0.00 C ATOM 936 C GLN A 69 3.888 8.098 0.801 1.00 0.00 C ATOM 937 O GLN A 69 3.065 7.854 -0.081 1.00 0.00 O ATOM 938 CB GLN A 69 5.602 9.652 -0.104 1.00 0.00 C ATOM 939 CG GLN A 69 6.346 10.965 -0.003 1.00 0.00 C ATOM 940 CD GLN A 69 7.262 11.220 -1.189 1.00 0.00 C ATOM 941 OE1 GLN A 69 6.935 10.929 -2.344 1.00 0.00 O ATOM 942 NE2 GLN A 69 8.515 11.658 -1.053 1.00 0.00 N ATOM 0 H GLN A 69 6.116 9.585 2.277 1.00 0.00 H new ATOM 0 HA GLN A 69 3.727 10.203 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.318 8.834 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.144 9.581 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.626 11.780 0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.936 10.973 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.866 11.920 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.121 11.731 -1.870 1.00 0.00 H new ATOM 951 N LEU A 70 4.518 7.095 1.425 1.00 0.00 N ATOM 952 CA LEU A 70 4.188 5.681 1.414 1.00 0.00 C ATOM 953 C LEU A 70 3.034 5.550 2.408 1.00 0.00 C ATOM 954 O LEU A 70 2.005 4.995 2.039 1.00 0.00 O ATOM 955 CB LEU A 70 5.341 4.737 1.739 1.00 0.00 C ATOM 956 CG LEU A 70 6.311 4.670 0.554 1.00 0.00 C ATOM 957 CD1 LEU A 70 7.617 4.113 1.112 1.00 0.00 C ATOM 958 CD2 LEU A 70 5.740 3.707 -0.466 1.00 0.00 C ATOM 0 H LEU A 70 5.342 7.278 1.998 1.00 0.00 H new ATOM 0 HA LEU A 70 3.923 5.369 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.865 5.083 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.956 3.742 1.962 1.00 0.00 H new ATOM 0 HG LEU A 70 6.467 5.640 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.353 4.041 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.992 4.777 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.440 3.123 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.413 3.641 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.630 2.721 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.765 4.064 -0.798 1.00 0.00 H new ATOM 970 N GLU A 71 3.011 6.203 3.567 1.00 0.00 N ATOM 971 CA GLU A 71 1.726 6.488 4.170 1.00 0.00 C ATOM 972 C GLU A 71 0.811 7.214 3.199 1.00 0.00 C ATOM 973 O GLU A 71 -0.403 7.112 3.389 1.00 0.00 O ATOM 974 CB GLU A 71 2.005 7.281 5.453 1.00 0.00 C ATOM 975 CG GLU A 71 2.818 6.483 6.454 1.00 0.00 C ATOM 976 CD GLU A 71 3.511 7.424 7.428 1.00 0.00 C ATOM 977 OE1 GLU A 71 3.066 8.581 7.588 1.00 0.00 O ATOM 978 OE2 GLU A 71 4.375 7.061 8.257 1.00 0.00 O ATOM 0 H GLU A 71 3.829 6.529 4.082 1.00 0.00 H new ATOM 0 HA GLU A 71 1.190 5.573 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.539 8.198 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.060 7.576 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.169 5.797 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.558 5.876 5.933 1.00 0.00 H new ATOM 985 N LYS A 72 1.214 7.989 2.189 1.00 0.00 N ATOM 986 CA LYS A 72 0.284 8.746 1.395 1.00 0.00 C ATOM 987 C LYS A 72 -0.449 7.955 0.329 1.00 0.00 C ATOM 988 O LYS A 72 -1.528 8.442 0.025 1.00 0.00 O ATOM 989 CB LYS A 72 0.998 9.981 0.837 1.00 0.00 C ATOM 990 CG LYS A 72 0.013 11.131 0.603 1.00 0.00 C ATOM 991 CD LYS A 72 0.813 12.377 0.192 1.00 0.00 C ATOM 992 CE LYS A 72 -0.109 13.590 0.305 1.00 0.00 C ATOM 993 NZ LYS A 72 0.492 14.797 -0.276 1.00 0.00 N ATOM 0 H LYS A 72 2.189 8.099 1.912 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.524 9.057 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.775 10.300 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.493 9.726 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.702 10.866 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.560 11.330 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.684 12.500 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.182 12.273 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.052 13.376 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.342 13.771 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.168 15.595 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.379 15.017 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.691 14.635 -1.284 1.00 0.00 H new ATOM 1007 N ILE A 73 -0.010 6.822 -0.245 1.00 0.00 N ATOM 1008 CA ILE A 73 -0.530 6.223 -1.447 1.00 0.00 C ATOM 1009 C ILE A 73 -2.037 5.981 -1.369 1.00 0.00 C ATOM 1010 O ILE A 73 -2.796 6.541 -2.158 1.00 0.00 O ATOM 1011 CB ILE A 73 0.360 5.122 -2.025 1.00 0.00 C ATOM 1012 CG1 ILE A 73 0.741 4.054 -1.010 1.00 0.00 C ATOM 1013 CG2 ILE A 73 1.568 5.820 -2.650 1.00 0.00 C ATOM 1014 CD1 ILE A 73 1.525 2.895 -1.609 1.00 0.00 C ATOM 0 H ILE A 73 0.760 6.284 0.153 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.462 6.956 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.185 4.557 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.334 4.512 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.166 3.667 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.237 5.074 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.231 6.498 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.098 6.386 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.762 2.173 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.926 2.411 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.449 3.270 -2.049 1.00 0.00 H new ATOM 1026 N LEU A 74 -2.537 5.054 -0.561 1.00 0.00 N ATOM 1027 CA LEU A 74 -3.906 4.689 -0.296 1.00 0.00 C ATOM 1028 C LEU A 74 -4.634 5.765 0.496 1.00 0.00 C ATOM 1029 O LEU A 74 -5.847 5.938 0.495 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.908 3.395 0.496 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.249 2.173 -0.161 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -3.216 1.038 0.852 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.007 1.815 -1.432 1.00 0.00 C ATOM 0 H LEU A 74 -1.904 4.473 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.426 4.570 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.408 3.579 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.943 3.140 0.725 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.221 2.384 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.751 0.161 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.640 1.346 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.233 0.792 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.542 0.948 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.043 1.582 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.980 2.659 -2.122 1.00 0.00 H new ATOM 1045 N GLY A 75 -3.825 6.586 1.158 1.00 0.00 N ATOM 1046 CA GLY A 75 -4.126 7.775 1.930 1.00 0.00 C ATOM 1047 C GLY A 75 -4.938 7.632 3.208 1.00 0.00 C ATOM 1048 O GLY A 75 -5.306 8.651 3.799 1.00 0.00 O ATOM 0 H GLY A 75 -2.821 6.406 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.179 8.247 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.658 8.467 1.277 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.081 6.375 3.648 1.00 0.00 N ATOM 1053 CA ILE A 76 -5.769 5.817 4.780 1.00 0.00 C ATOM 1054 C ILE A 76 -4.935 5.862 6.045 1.00 0.00 C ATOM 1055 O ILE A 76 -3.754 6.204 5.978 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.221 4.394 4.482 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -5.024 3.445 4.347 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -7.138 4.311 3.268 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -5.181 1.990 3.904 1.00 0.00 C ATOM 0 H ILE A 76 -4.639 5.623 3.119 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.647 6.437 4.959 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.812 4.069 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.332 3.912 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.530 3.425 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.429 3.274 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.029 4.914 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.613 4.685 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.203 1.510 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.827 1.463 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.626 1.958 2.909 1.00 0.00 H new ATOM 1071 N LYS A 77 -5.523 5.612 7.229 1.00 0.00 N ATOM 1072 CA LYS A 77 -4.911 5.513 8.532 1.00 0.00 C ATOM 1073 C LYS A 77 -5.873 5.119 9.654 1.00 0.00 C ATOM 1074 O LYS A 77 -7.002 5.601 9.552 1.00 0.00 O ATOM 1075 CB LYS A 77 -4.003 6.701 8.855 1.00 0.00 C ATOM 1076 CG LYS A 77 -4.787 7.995 8.667 1.00 0.00 C ATOM 1077 CD LYS A 77 -4.601 9.058 9.749 1.00 0.00 C ATOM 1078 CE LYS A 77 -3.279 9.839 9.759 1.00 0.00 C ATOM 1079 NZ LYS A 77 -3.262 10.569 11.038 1.00 0.00 N ATOM 0 H LYS A 77 -6.531 5.463 7.284 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.241 4.656 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.639 6.628 9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.128 6.693 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.506 8.430 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.847 7.748 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.415 9.777 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.712 8.573 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.425 9.166 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.223 10.526 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.385 11.124 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.081 11.209 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.308 9.891 11.825 1.00 0.00 H new ATOM 1093 N LEU A 78 -5.444 4.348 10.645 1.00 0.00 N ATOM 1094 CA LEU A 78 -6.110 4.154 11.930 1.00 0.00 C ATOM 1095 C LEU A 78 -5.066 3.787 12.986 1.00 0.00 C ATOM 1096 O LEU A 78 -3.926 3.455 12.671 1.00 0.00 O ATOM 1097 CB LEU A 78 -7.130 3.022 11.925 1.00 0.00 C ATOM 1098 CG LEU A 78 -8.489 3.365 11.290 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -9.369 2.124 11.278 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -9.149 4.597 11.930 1.00 0.00 C ATOM 0 H LEU A 78 -4.578 3.813 10.572 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.627 5.090 12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.703 2.172 11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.298 2.702 12.953 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.332 3.664 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.332 2.365 10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.884 1.340 10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.522 1.777 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.104 4.792 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.314 4.411 12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.497 5.462 11.810 1.00 0.00 H new