USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 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 180:sc= -0.0143 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 71:sc= 0.363 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0.442 (180deg=0.401) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 33 GLN : amide:sc= -0.49 K(o=-0.49,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= -0.182 USER MOD Single : A 38 GLN : amide:sc= 0.713 K(o=0.71,f=-0.015) USER MOD Single : A 39 GLN : amide:sc=-0.00906 X(o=-0.0091,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.599 K(o=0.6,f=-2.9!) USER MOD Single : A 43 GLN : amide:sc= 0.334 X(o=0.33,f=-0.055) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 0.977 (180deg=-0.382) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.109 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -90:sc= 0.843 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 K(o=0,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= 0.707 K(o=0.71,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.0343) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.626 -4.856 10.751 1.00 0.00 N ATOM 153 CA TYR A 23 8.302 -4.215 9.486 1.00 0.00 C ATOM 154 C TYR A 23 7.200 -3.225 9.828 1.00 0.00 C ATOM 155 O TYR A 23 6.186 -3.492 10.455 1.00 0.00 O ATOM 156 CB TYR A 23 7.681 -5.214 8.515 1.00 0.00 C ATOM 157 CG TYR A 23 7.619 -4.520 7.173 1.00 0.00 C ATOM 158 CD1 TYR A 23 8.656 -4.598 6.221 1.00 0.00 C ATOM 159 CD2 TYR A 23 6.359 -4.085 6.772 1.00 0.00 C ATOM 160 CE1 TYR A 23 8.440 -4.078 4.946 1.00 0.00 C ATOM 161 CE2 TYR A 23 6.124 -3.529 5.507 1.00 0.00 C ATOM 162 CZ TYR A 23 7.244 -3.399 4.646 1.00 0.00 C ATOM 163 OH TYR A 23 6.969 -2.873 3.435 1.00 0.00 O ATOM 0 HA TYR A 23 9.194 -3.779 9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.281 -6.122 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.686 -5.510 8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.602 -5.053 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.532 -4.179 7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.195 -4.197 4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.137 -3.214 5.202 1.00 0.00 H new ATOM 0 HH TYR A 23 6.807 -3.596 2.794 1.00 0.00 H new ATOM 173 N TYR A 24 7.280 -2.006 9.276 1.00 0.00 N ATOM 174 CA TYR A 24 6.494 -0.846 9.676 1.00 0.00 C ATOM 175 C TYR A 24 5.033 -0.956 9.296 1.00 0.00 C ATOM 176 O TYR A 24 4.677 -1.818 8.501 1.00 0.00 O ATOM 177 CB TYR A 24 7.132 0.427 9.168 1.00 0.00 C ATOM 178 CG TYR A 24 6.873 0.925 7.767 1.00 0.00 C ATOM 179 CD1 TYR A 24 7.086 0.097 6.645 1.00 0.00 C ATOM 180 CD2 TYR A 24 6.560 2.256 7.500 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.907 0.584 5.347 1.00 0.00 C ATOM 182 CE2 TYR A 24 6.331 2.773 6.223 1.00 0.00 C ATOM 183 CZ TYR A 24 6.449 1.900 5.120 1.00 0.00 C ATOM 184 OH TYR A 24 6.102 2.350 3.889 1.00 0.00 O ATOM 0 H TYR A 24 7.921 -1.800 8.510 1.00 0.00 H new ATOM 0 HA TYR A 24 6.499 -0.812 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.837 1.225 9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.210 0.305 9.268 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.392 -0.928 6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.490 2.934 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.122 -0.057 4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.071 3.812 6.083 1.00 0.00 H new ATOM 0 HH TYR A 24 5.813 3.284 3.952 1.00 0.00 H new ATOM 194 N LYS A 25 4.130 -0.223 9.962 1.00 0.00 N ATOM 195 CA LYS A 25 2.765 -0.594 10.282 1.00 0.00 C ATOM 196 C LYS A 25 1.780 0.562 10.149 1.00 0.00 C ATOM 197 O LYS A 25 0.707 0.597 10.741 1.00 0.00 O ATOM 198 CB LYS A 25 2.766 -1.081 11.730 1.00 0.00 C ATOM 199 CG LYS A 25 3.695 -2.287 11.874 1.00 0.00 C ATOM 200 CD LYS A 25 3.280 -3.075 13.123 1.00 0.00 C ATOM 201 CE LYS A 25 3.892 -4.448 13.249 1.00 0.00 C ATOM 202 NZ LYS A 25 5.366 -4.379 13.279 1.00 0.00 N ATOM 0 H LYS A 25 4.361 0.707 10.311 1.00 0.00 H new ATOM 0 HA LYS A 25 2.439 -1.359 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.092 -0.279 12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.754 -1.352 12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.634 -2.920 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.731 -1.959 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.547 -2.493 14.005 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.195 -3.177 13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.530 -4.927 14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.572 -5.069 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.753 -5.314 13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.719 -4.087 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.667 -3.687 13.995 1.00 0.00 H new ATOM 216 N ILE A 26 2.109 1.690 9.515 1.00 0.00 N ATOM 217 CA ILE A 26 1.291 2.861 9.311 1.00 0.00 C ATOM 218 C ILE A 26 -0.190 2.550 9.080 1.00 0.00 C ATOM 219 O ILE A 26 -1.092 3.189 9.607 1.00 0.00 O ATOM 220 CB ILE A 26 1.771 3.830 8.241 1.00 0.00 C ATOM 221 CG1 ILE A 26 2.597 3.087 7.189 1.00 0.00 C ATOM 222 CG2 ILE A 26 2.634 4.928 8.869 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.670 3.861 5.881 1.00 0.00 C ATOM 0 H ILE A 26 3.034 1.805 9.101 1.00 0.00 H new ATOM 0 HA ILE A 26 1.405 3.369 10.269 1.00 0.00 H new ATOM 0 HB ILE A 26 0.897 4.280 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.605 2.919 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.158 2.106 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.971 5.615 8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.047 5.475 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.499 4.477 9.355 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.265 3.301 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.664 4.006 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.134 4.832 6.058 1.00 0.00 H new ATOM 235 N ILE A 27 -0.407 1.733 8.044 1.00 0.00 N ATOM 236 CA ILE A 27 -1.723 1.565 7.465 1.00 0.00 C ATOM 237 C ILE A 27 -2.181 0.111 7.576 1.00 0.00 C ATOM 238 O ILE A 27 -3.241 -0.189 7.046 1.00 0.00 O ATOM 239 CB ILE A 27 -1.823 2.096 6.043 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.722 1.639 5.093 1.00 0.00 C ATOM 241 CG2 ILE A 27 -1.790 3.610 6.156 1.00 0.00 C ATOM 242 CD1 ILE A 27 -1.069 1.798 3.621 1.00 0.00 C ATOM 0 H ILE A 27 0.323 1.180 7.595 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.409 2.179 8.048 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.740 1.702 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.185 2.205 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.497 0.591 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.859 4.051 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.631 3.948 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.857 3.920 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.235 1.451 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.957 1.209 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.264 2.848 3.405 1.00 0.00 H new ATOM 254 N LYS A 28 -1.402 -0.748 8.230 1.00 0.00 N ATOM 255 CA LYS A 28 -1.626 -2.173 8.361 1.00 0.00 C ATOM 256 C LYS A 28 -3.049 -2.568 8.778 1.00 0.00 C ATOM 257 O LYS A 28 -3.706 -3.210 7.961 1.00 0.00 O ATOM 258 CB LYS A 28 -0.523 -2.831 9.180 1.00 0.00 C ATOM 259 CG LYS A 28 -0.440 -4.327 8.907 1.00 0.00 C ATOM 260 CD LYS A 28 0.690 -5.063 9.622 1.00 0.00 C ATOM 261 CE LYS A 28 0.886 -6.530 9.234 1.00 0.00 C ATOM 262 NZ LYS A 28 1.924 -7.307 9.938 1.00 0.00 N ATOM 0 H LYS A 28 -0.553 -0.445 8.706 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.558 -2.585 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.433 -2.364 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.708 -2.664 10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.387 -4.784 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.326 -4.477 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.622 -4.530 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.507 -5.013 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.066 -7.042 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.110 -6.565 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.940 -8.279 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.852 -6.864 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.713 -7.326 10.956 1.00 0.00 H new ATOM 276 N THR A 29 -3.528 -2.213 9.964 1.00 0.00 N ATOM 277 CA THR A 29 -4.808 -2.605 10.526 1.00 0.00 C ATOM 278 C THR A 29 -6.026 -2.322 9.663 1.00 0.00 C ATOM 279 O THR A 29 -6.872 -3.185 9.423 1.00 0.00 O ATOM 280 CB THR A 29 -4.989 -2.098 11.953 1.00 0.00 C ATOM 281 OG1 THR A 29 -4.749 -0.722 11.813 1.00 0.00 O ATOM 282 CG2 THR A 29 -3.924 -2.590 12.929 1.00 0.00 C ATOM 0 H THR A 29 -3.000 -1.608 10.593 1.00 0.00 H new ATOM 0 HA THR A 29 -4.755 -3.693 10.553 1.00 0.00 H new ATOM 0 HB THR A 29 -5.957 -2.417 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.841 -0.284 12.685 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.124 -2.185 13.921 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.944 -3.679 12.971 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.942 -2.258 12.593 1.00 0.00 H new ATOM 290 N ALA A 30 -5.960 -1.073 9.181 1.00 0.00 N ATOM 291 CA ALA A 30 -6.853 -0.407 8.266 1.00 0.00 C ATOM 292 C ALA A 30 -7.118 -1.162 6.980 1.00 0.00 C ATOM 293 O ALA A 30 -8.239 -1.279 6.511 1.00 0.00 O ATOM 294 CB ALA A 30 -6.193 0.974 8.144 1.00 0.00 C ATOM 0 H ALA A 30 -5.198 -0.456 9.460 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.884 -0.335 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.776 1.597 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.152 1.446 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.182 0.861 7.753 1.00 0.00 H new ATOM 300 N ARG A 31 -6.093 -1.731 6.336 1.00 0.00 N ATOM 301 CA ARG A 31 -6.251 -2.656 5.229 1.00 0.00 C ATOM 302 C ARG A 31 -7.265 -3.757 5.520 1.00 0.00 C ATOM 303 O ARG A 31 -8.165 -3.975 4.714 1.00 0.00 O ATOM 304 CB ARG A 31 -4.902 -3.137 4.714 1.00 0.00 C ATOM 305 CG ARG A 31 -4.198 -1.980 3.996 1.00 0.00 C ATOM 306 CD ARG A 31 -2.956 -2.326 3.161 1.00 0.00 C ATOM 307 NE ARG A 31 -3.326 -3.155 2.014 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.556 -3.637 1.034 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.223 -3.524 0.968 1.00 0.00 N ATOM 310 NH2 ARG A 31 -3.166 -4.472 0.166 1.00 0.00 N ATOM 0 H ARG A 31 -5.119 -1.553 6.580 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.698 -2.114 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.289 -3.495 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.037 -3.976 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.923 -1.498 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.907 -1.244 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.476 -1.410 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.230 -2.853 3.779 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.314 -3.401 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.715 -3.037 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.716 -3.925 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.154 -4.697 0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.639 -4.878 -0.607 1.00 0.00 H new ATOM 324 N GLU A 32 -7.247 -4.380 6.689 1.00 0.00 N ATOM 325 CA GLU A 32 -8.241 -5.391 6.980 1.00 0.00 C ATOM 326 C GLU A 32 -9.635 -4.850 7.228 1.00 0.00 C ATOM 327 O GLU A 32 -10.636 -5.378 6.749 1.00 0.00 O ATOM 328 CB GLU A 32 -7.751 -6.192 8.194 1.00 0.00 C ATOM 329 CG GLU A 32 -7.981 -7.670 7.936 1.00 0.00 C ATOM 330 CD GLU A 32 -7.121 -8.548 8.849 1.00 0.00 C ATOM 331 OE1 GLU A 32 -7.685 -8.874 9.919 1.00 0.00 O ATOM 332 OE2 GLU A 32 -6.006 -8.981 8.514 1.00 0.00 O ATOM 0 H GLU A 32 -6.571 -4.207 7.433 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.342 -6.018 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.692 -6.001 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.284 -5.879 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.034 -7.906 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.753 -7.897 6.894 1.00 0.00 H new ATOM 339 N GLN A 33 -9.743 -3.816 8.065 1.00 0.00 N ATOM 340 CA GLN A 33 -10.936 -3.266 8.673 1.00 0.00 C ATOM 341 C GLN A 33 -11.846 -2.637 7.633 1.00 0.00 C ATOM 342 O GLN A 33 -13.068 -2.665 7.822 1.00 0.00 O ATOM 343 CB GLN A 33 -10.439 -2.188 9.631 1.00 0.00 C ATOM 344 CG GLN A 33 -9.953 -2.611 11.028 1.00 0.00 C ATOM 345 CD GLN A 33 -9.057 -1.539 11.637 1.00 0.00 C ATOM 346 OE1 GLN A 33 -8.237 -1.721 12.523 1.00 0.00 O ATOM 347 NE2 GLN A 33 -9.346 -0.249 11.421 1.00 0.00 N ATOM 0 H GLN A 33 -8.912 -3.300 8.356 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.514 -4.043 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.620 -1.662 9.141 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.246 -1.467 9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.810 -2.787 11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.407 -3.552 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.021 0.009 10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.891 0.475 11.977 1.00 0.00 H new ATOM 356 N LEU A 34 -11.295 -2.192 6.506 1.00 0.00 N ATOM 357 CA LEU A 34 -11.949 -1.462 5.430 1.00 0.00 C ATOM 358 C LEU A 34 -12.547 -2.433 4.419 1.00 0.00 C ATOM 359 O LEU A 34 -13.621 -2.124 3.890 1.00 0.00 O ATOM 360 CB LEU A 34 -10.950 -0.474 4.839 1.00 0.00 C ATOM 361 CG LEU A 34 -10.526 0.660 5.750 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.516 1.559 5.040 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.615 1.576 6.318 1.00 0.00 C ATOM 0 H LEU A 34 -10.306 -2.345 6.310 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.794 -0.880 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.059 -1.024 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.383 -0.046 3.935 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.121 0.121 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.220 2.370 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.638 0.974 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.969 1.975 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.157 2.337 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.149 2.058 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.315 0.986 6.910 1.00 0.00 H new ATOM 375 N GLY A 35 -12.110 -3.693 4.450 1.00 0.00 N ATOM 376 CA GLY A 35 -12.647 -4.705 3.565 1.00 0.00 C ATOM 377 C GLY A 35 -12.311 -4.485 2.098 1.00 0.00 C ATOM 378 O GLY A 35 -12.696 -5.240 1.189 1.00 0.00 O ATOM 0 H GLY A 35 -11.384 -4.029 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.268 -5.680 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.731 -4.734 3.679 1.00 0.00 H new ATOM 382 N ILE A 36 -11.396 -3.553 1.858 1.00 0.00 N ATOM 383 CA ILE A 36 -10.834 -3.125 0.586 1.00 0.00 C ATOM 384 C ILE A 36 -9.824 -4.092 -0.005 1.00 0.00 C ATOM 385 O ILE A 36 -9.091 -4.734 0.745 1.00 0.00 O ATOM 386 CB ILE A 36 -10.244 -1.726 0.749 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.034 -1.732 1.687 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.320 -0.718 1.166 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.073 -0.543 1.696 1.00 0.00 C ATOM 0 H ILE A 36 -10.989 -3.025 2.630 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.648 -3.107 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.872 -1.399 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.411 -1.853 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.448 -2.622 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.871 0.269 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.099 -0.681 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.757 -1.024 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.279 -0.723 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.638 -0.419 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.616 0.362 1.970 1.00 0.00 H new ATOM 401 N SER A 37 -9.759 -4.252 -1.319 1.00 0.00 N ATOM 402 CA SER A 37 -8.881 -5.227 -1.946 1.00 0.00 C ATOM 403 C SER A 37 -7.503 -4.694 -2.364 1.00 0.00 C ATOM 404 O SER A 37 -7.198 -3.513 -2.307 1.00 0.00 O ATOM 405 CB SER A 37 -9.477 -5.970 -3.124 1.00 0.00 C ATOM 406 OG SER A 37 -9.419 -5.223 -4.320 1.00 0.00 O ATOM 0 H SER A 37 -10.314 -3.709 -1.980 1.00 0.00 H new ATOM 0 HA SER A 37 -8.748 -5.929 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.946 -6.912 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.515 -6.219 -2.905 1.00 0.00 H new ATOM 0 HG SER A 37 -9.813 -5.744 -5.050 1.00 0.00 H new ATOM 412 N GLN A 38 -6.612 -5.651 -2.668 1.00 0.00 N ATOM 413 CA GLN A 38 -5.315 -5.352 -3.222 1.00 0.00 C ATOM 414 C GLN A 38 -5.386 -4.595 -4.531 1.00 0.00 C ATOM 415 O GLN A 38 -4.599 -3.660 -4.730 1.00 0.00 O ATOM 416 CB GLN A 38 -4.497 -6.625 -3.328 1.00 0.00 C ATOM 417 CG GLN A 38 -3.075 -6.253 -3.749 1.00 0.00 C ATOM 418 CD GLN A 38 -2.148 -7.458 -3.934 1.00 0.00 C ATOM 419 OE1 GLN A 38 -1.204 -7.757 -3.214 1.00 0.00 O ATOM 420 NE2 GLN A 38 -2.565 -8.252 -4.929 1.00 0.00 N ATOM 0 H GLN A 38 -6.786 -6.647 -2.531 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.808 -4.672 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.485 -7.148 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.943 -7.302 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.118 -5.693 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.646 -5.589 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.355 -7.970 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.092 -9.138 -5.107 1.00 0.00 H new ATOM 429 N GLN A 39 -6.397 -4.915 -5.357 1.00 0.00 N ATOM 430 CA GLN A 39 -6.607 -4.255 -6.622 1.00 0.00 C ATOM 431 C GLN A 39 -7.077 -2.824 -6.341 1.00 0.00 C ATOM 432 O GLN A 39 -6.547 -1.947 -7.008 1.00 0.00 O ATOM 433 CB GLN A 39 -7.557 -5.023 -7.521 1.00 0.00 C ATOM 434 CG GLN A 39 -7.414 -4.631 -9.004 1.00 0.00 C ATOM 435 CD GLN A 39 -8.286 -5.481 -9.918 1.00 0.00 C ATOM 436 OE1 GLN A 39 -9.492 -5.350 -10.029 1.00 0.00 O ATOM 437 NE2 GLN A 39 -7.583 -6.371 -10.606 1.00 0.00 N ATOM 0 H GLN A 39 -7.083 -5.641 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.670 -4.219 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.371 -6.091 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.582 -4.843 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.680 -3.581 -9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.371 -4.732 -9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.574 -6.437 -10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.052 -6.989 -11.268 1.00 0.00 H new ATOM 446 N GLN A 40 -7.897 -2.541 -5.332 1.00 0.00 N ATOM 447 CA GLN A 40 -8.394 -1.225 -4.984 1.00 0.00 C ATOM 448 C GLN A 40 -7.290 -0.291 -4.485 1.00 0.00 C ATOM 449 O GLN A 40 -7.512 0.909 -4.616 1.00 0.00 O ATOM 450 CB GLN A 40 -9.467 -1.545 -3.948 1.00 0.00 C ATOM 451 CG GLN A 40 -10.714 -2.163 -4.568 1.00 0.00 C ATOM 452 CD GLN A 40 -11.882 -2.333 -3.595 1.00 0.00 C ATOM 453 OE1 GLN A 40 -12.034 -3.232 -2.773 1.00 0.00 O ATOM 454 NE2 GLN A 40 -12.679 -1.257 -3.479 1.00 0.00 N ATOM 0 H GLN A 40 -8.247 -3.266 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.793 -0.664 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.057 -2.230 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.742 -0.631 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.038 -1.540 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.455 -3.138 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.591 -0.484 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.372 -1.214 -2.732 1.00 0.00 H new ATOM 463 N LEU A 41 -6.239 -0.839 -3.851 1.00 0.00 N ATOM 464 CA LEU A 41 -5.088 -0.076 -3.400 1.00 0.00 C ATOM 465 C LEU A 41 -4.132 0.229 -4.538 1.00 0.00 C ATOM 466 O LEU A 41 -3.502 1.277 -4.702 1.00 0.00 O ATOM 467 CB LEU A 41 -4.544 -0.767 -2.157 1.00 0.00 C ATOM 468 CG LEU A 41 -3.332 -0.137 -1.492 1.00 0.00 C ATOM 469 CD1 LEU A 41 -3.445 -0.256 0.032 1.00 0.00 C ATOM 470 CD2 LEU A 41 -2.080 -0.853 -1.985 1.00 0.00 C ATOM 0 H LEU A 41 -6.175 -1.835 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.342 0.935 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.346 -0.819 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.289 -1.793 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.277 0.921 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.571 0.199 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.345 0.257 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.499 -1.308 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.200 -0.412 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.139 -1.910 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.004 -0.750 -3.067 1.00 0.00 H new ATOM 482 N ALA A 42 -4.019 -0.750 -5.434 1.00 0.00 N ATOM 483 CA ALA A 42 -3.392 -0.607 -6.725 1.00 0.00 C ATOM 484 C ALA A 42 -3.984 0.552 -7.531 1.00 0.00 C ATOM 485 O ALA A 42 -3.280 1.196 -8.312 1.00 0.00 O ATOM 486 CB ALA A 42 -3.367 -1.938 -7.458 1.00 0.00 C ATOM 0 H ALA A 42 -4.376 -1.690 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.350 -0.325 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.890 -1.809 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.806 -2.666 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.387 -2.295 -7.599 1.00 0.00 H new ATOM 492 N GLN A 43 -5.297 0.770 -7.521 1.00 0.00 N ATOM 493 CA GLN A 43 -5.898 1.869 -8.238 1.00 0.00 C ATOM 494 C GLN A 43 -5.557 3.215 -7.572 1.00 0.00 C ATOM 495 O GLN A 43 -5.442 4.212 -8.264 1.00 0.00 O ATOM 496 CB GLN A 43 -7.389 1.601 -8.399 1.00 0.00 C ATOM 497 CG GLN A 43 -7.918 0.393 -9.172 1.00 0.00 C ATOM 498 CD GLN A 43 -6.943 -0.013 -10.268 1.00 0.00 C ATOM 499 OE1 GLN A 43 -7.000 0.430 -11.415 1.00 0.00 O ATOM 500 NE2 GLN A 43 -6.113 -0.971 -9.847 1.00 0.00 N ATOM 0 H GLN A 43 -5.964 0.187 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.482 1.946 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.807 1.538 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.818 2.486 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.074 -0.442 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.887 0.631 -9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.137 -1.275 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.455 -1.398 -10.499 1.00 0.00 H new ATOM 509 N LYS A 44 -5.487 3.314 -6.251 1.00 0.00 N ATOM 510 CA LYS A 44 -5.322 4.498 -5.416 1.00 0.00 C ATOM 511 C LYS A 44 -3.953 5.116 -5.637 1.00 0.00 C ATOM 512 O LYS A 44 -3.782 6.302 -5.361 1.00 0.00 O ATOM 513 CB LYS A 44 -5.517 4.120 -3.953 1.00 0.00 C ATOM 514 CG LYS A 44 -6.993 3.949 -3.645 1.00 0.00 C ATOM 515 CD LYS A 44 -7.231 3.404 -2.233 1.00 0.00 C ATOM 516 CE LYS A 44 -8.743 3.313 -2.037 1.00 0.00 C ATOM 517 NZ LYS A 44 -9.325 2.244 -2.843 1.00 0.00 N ATOM 0 H LYS A 44 -5.552 2.475 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.072 5.240 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.984 3.195 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.092 4.892 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.498 4.909 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.438 3.272 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.767 2.425 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.784 4.060 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.964 3.138 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.203 4.264 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.048 2.641 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.580 1.791 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.763 1.537 -2.218 1.00 0.00 H new ATOM 531 N LEU A 45 -3.034 4.386 -6.276 1.00 0.00 N ATOM 532 CA LEU A 45 -1.612 4.583 -6.349 1.00 0.00 C ATOM 533 C LEU A 45 -1.079 4.511 -7.774 1.00 0.00 C ATOM 534 O LEU A 45 0.080 4.712 -8.140 1.00 0.00 O ATOM 535 CB LEU A 45 -0.807 3.600 -5.502 1.00 0.00 C ATOM 536 CG LEU A 45 -0.855 3.742 -3.980 1.00 0.00 C ATOM 537 CD1 LEU A 45 -0.283 2.470 -3.339 1.00 0.00 C ATOM 538 CD2 LEU A 45 -0.187 5.029 -3.495 1.00 0.00 C ATOM 0 H LEU A 45 -3.314 3.560 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.476 5.588 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.143 2.594 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.236 3.674 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.892 3.840 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.314 2.564 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.877 1.609 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.749 2.332 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.247 5.083 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.859 5.034 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.696 5.889 -3.930 1.00 0.00 H new ATOM 550 N LYS A 46 -1.997 4.249 -8.693 1.00 0.00 N ATOM 551 CA LYS A 46 -1.838 3.772 -10.057 1.00 0.00 C ATOM 552 C LYS A 46 -1.094 2.475 -10.356 1.00 0.00 C ATOM 553 O LYS A 46 -1.298 1.975 -11.473 1.00 0.00 O ATOM 554 CB LYS A 46 -1.402 4.893 -10.993 1.00 0.00 C ATOM 555 CG LYS A 46 -2.453 5.999 -11.028 1.00 0.00 C ATOM 556 CD LYS A 46 -2.163 7.023 -12.113 1.00 0.00 C ATOM 557 CE LYS A 46 -0.943 7.817 -11.673 1.00 0.00 C ATOM 558 NZ LYS A 46 -0.317 8.535 -12.796 1.00 0.00 N ATOM 0 H LYS A 46 -2.984 4.381 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.859 3.445 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.447 5.301 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.248 4.497 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.436 5.560 -11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.488 6.497 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.976 6.529 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.019 7.682 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.234 8.532 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.215 7.143 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.510 9.063 -12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.016 7.852 -13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.003 9.198 -13.210 1.00 0.00 H new ATOM 572 N VAL A 47 -0.154 2.004 -9.536 1.00 0.00 N ATOM 573 CA VAL A 47 0.803 0.929 -9.746 1.00 0.00 C ATOM 574 C VAL A 47 0.185 -0.433 -9.443 1.00 0.00 C ATOM 575 O VAL A 47 -0.888 -0.494 -8.871 1.00 0.00 O ATOM 576 CB VAL A 47 2.028 1.144 -8.883 1.00 0.00 C ATOM 577 CG1 VAL A 47 2.862 2.318 -9.378 1.00 0.00 C ATOM 578 CG2 VAL A 47 1.790 1.304 -7.371 1.00 0.00 C ATOM 0 H VAL A 47 -0.036 2.414 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 47 1.095 0.942 -10.796 1.00 0.00 H new ATOM 0 HB VAL A 47 2.563 0.201 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.733 2.443 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.190 2.126 -10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.261 3.227 -9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.745 1.451 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.148 2.167 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.308 0.407 -6.982 1.00 0.00 H new ATOM 588 N SER A 48 0.848 -1.558 -9.721 1.00 0.00 N ATOM 589 CA SER A 48 0.230 -2.844 -10.011 1.00 0.00 C ATOM 590 C SER A 48 0.079 -3.679 -8.755 1.00 0.00 C ATOM 591 O SER A 48 0.778 -3.352 -7.798 1.00 0.00 O ATOM 592 CB SER A 48 0.994 -3.673 -11.054 1.00 0.00 C ATOM 593 OG SER A 48 2.247 -4.049 -10.543 1.00 0.00 O ATOM 0 H SER A 48 1.867 -1.594 -9.750 1.00 0.00 H new ATOM 0 HA SER A 48 -0.748 -2.597 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.419 -4.560 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.124 -3.093 -11.968 1.00 0.00 H new ATOM 0 HG SER A 48 2.728 -4.579 -11.213 1.00 0.00 H new ATOM 599 N GLU A 49 -0.831 -4.660 -8.740 1.00 0.00 N ATOM 600 CA GLU A 49 -1.073 -5.587 -7.649 1.00 0.00 C ATOM 601 C GLU A 49 0.207 -6.389 -7.417 1.00 0.00 C ATOM 602 O GLU A 49 0.484 -6.741 -6.267 1.00 0.00 O ATOM 603 CB GLU A 49 -2.239 -6.511 -8.003 1.00 0.00 C ATOM 604 CG GLU A 49 -3.626 -5.931 -7.805 1.00 0.00 C ATOM 605 CD GLU A 49 -4.707 -7.004 -7.664 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.900 -7.508 -6.532 1.00 0.00 O ATOM 607 OE2 GLU A 49 -5.359 -7.340 -8.663 1.00 0.00 O ATOM 0 H GLU A 49 -1.447 -4.830 -9.535 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.338 -5.050 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.137 -6.810 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.155 -7.416 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.627 -5.302 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.869 -5.287 -8.650 1.00 0.00 H new ATOM 614 N ASN A 50 0.979 -6.660 -8.462 1.00 0.00 N ATOM 615 CA ASN A 50 2.312 -7.200 -8.289 1.00 0.00 C ATOM 616 C ASN A 50 3.325 -6.291 -7.599 1.00 0.00 C ATOM 617 O ASN A 50 4.216 -6.783 -6.913 1.00 0.00 O ATOM 618 CB ASN A 50 2.733 -7.781 -9.629 1.00 0.00 C ATOM 619 CG ASN A 50 4.104 -8.443 -9.630 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.153 -7.867 -9.908 1.00 0.00 O ATOM 621 ND2 ASN A 50 4.186 -9.689 -9.139 1.00 0.00 N ATOM 0 H ASN A 50 0.702 -6.514 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 50 2.284 -7.995 -7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.990 -8.514 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.728 -6.985 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.098 -10.127 -9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.336 -10.199 -8.897 1.00 0.00 H new ATOM 628 N ILE A 51 3.226 -4.972 -7.757 1.00 0.00 N ATOM 629 CA ILE A 51 4.030 -4.001 -7.038 1.00 0.00 C ATOM 630 C ILE A 51 3.701 -3.956 -5.552 1.00 0.00 C ATOM 631 O ILE A 51 4.537 -3.841 -4.659 1.00 0.00 O ATOM 632 CB ILE A 51 4.001 -2.662 -7.766 1.00 0.00 C ATOM 633 CG1 ILE A 51 4.918 -2.688 -8.978 1.00 0.00 C ATOM 634 CG2 ILE A 51 4.361 -1.473 -6.869 1.00 0.00 C ATOM 635 CD1 ILE A 51 4.631 -1.652 -10.064 1.00 0.00 C ATOM 0 H ILE A 51 2.566 -4.544 -8.406 1.00 0.00 H new ATOM 0 HA ILE A 51 5.073 -4.317 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 51 2.969 -2.518 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.943 -2.549 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.864 -3.680 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.321 -0.553 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.651 -1.412 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.367 -1.608 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.349 -1.768 -10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.621 -1.798 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.718 -0.650 -9.643 1.00 0.00 H new ATOM 647 N VAL A 52 2.431 -4.071 -5.155 1.00 0.00 N ATOM 648 CA VAL A 52 2.005 -3.974 -3.774 1.00 0.00 C ATOM 649 C VAL A 52 2.218 -5.251 -2.964 1.00 0.00 C ATOM 650 O VAL A 52 2.664 -5.086 -1.827 1.00 0.00 O ATOM 651 CB VAL A 52 0.638 -3.328 -3.621 1.00 0.00 C ATOM 652 CG1 VAL A 52 0.804 -1.938 -4.239 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.537 -4.092 -4.251 1.00 0.00 C ATOM 0 H VAL A 52 1.662 -4.237 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 52 2.690 -3.271 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 52 0.358 -3.312 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.139 -1.395 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.576 -1.390 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.093 -2.037 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.462 -3.541 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.369 -4.198 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.615 -5.080 -3.796 1.00 0.00 H new ATOM 663 N LYS A 53 2.144 -6.416 -3.608 1.00 0.00 N ATOM 664 CA LYS A 53 2.765 -7.668 -3.202 1.00 0.00 C ATOM 665 C LYS A 53 4.249 -7.453 -2.965 1.00 0.00 C ATOM 666 O LYS A 53 4.767 -8.024 -2.021 1.00 0.00 O ATOM 667 CB LYS A 53 2.481 -8.703 -4.277 1.00 0.00 C ATOM 668 CG LYS A 53 2.646 -10.094 -3.674 1.00 0.00 C ATOM 669 CD LYS A 53 1.770 -11.077 -4.466 1.00 0.00 C ATOM 670 CE LYS A 53 2.014 -12.487 -3.932 1.00 0.00 C ATOM 671 NZ LYS A 53 0.915 -13.354 -4.396 1.00 0.00 N ATOM 0 H LYS A 53 1.618 -6.512 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 53 2.353 -8.031 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.470 -8.577 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.163 -8.572 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.691 -10.402 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.354 -10.088 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.718 -10.811 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.011 -11.028 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.973 -12.867 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.057 -12.478 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.063 -14.321 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.010 -12.989 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.897 -13.365 -5.436 1.00 0.00 H new ATOM 685 N ARG A 54 4.944 -6.644 -3.772 1.00 0.00 N ATOM 686 CA ARG A 54 6.381 -6.433 -3.748 1.00 0.00 C ATOM 687 C ARG A 54 6.666 -5.619 -2.493 1.00 0.00 C ATOM 688 O ARG A 54 7.709 -5.834 -1.892 1.00 0.00 O ATOM 689 CB ARG A 54 6.971 -5.633 -4.918 1.00 0.00 C ATOM 690 CG ARG A 54 8.331 -6.101 -5.426 1.00 0.00 C ATOM 691 CD ARG A 54 8.285 -7.515 -6.023 1.00 0.00 C ATOM 692 NE ARG A 54 9.628 -8.019 -6.287 1.00 0.00 N ATOM 693 CZ ARG A 54 9.956 -9.233 -6.750 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.982 -10.125 -6.980 1.00 0.00 N ATOM 695 NH2 ARG A 54 11.180 -9.735 -6.939 1.00 0.00 N ATOM 0 H ARG A 54 4.486 -6.092 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 54 6.835 -7.423 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.264 -5.665 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.058 -4.590 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.692 -5.403 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.048 -6.081 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.770 -8.186 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.709 -7.503 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 54 10.400 -7.379 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.009 -9.875 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.214 -11.054 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.002 -9.171 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.293 -10.682 -7.301 1.00 0.00 H new ATOM 709 N PHE A 55 5.849 -4.649 -2.091 1.00 0.00 N ATOM 710 CA PHE A 55 5.975 -3.922 -0.850 1.00 0.00 C ATOM 711 C PHE A 55 5.705 -4.882 0.309 1.00 0.00 C ATOM 712 O PHE A 55 6.429 -4.973 1.294 1.00 0.00 O ATOM 713 CB PHE A 55 4.899 -2.856 -0.779 1.00 0.00 C ATOM 714 CG PHE A 55 4.987 -1.679 -1.730 1.00 0.00 C ATOM 715 CD1 PHE A 55 6.005 -1.649 -2.699 1.00 0.00 C ATOM 716 CD2 PHE A 55 4.028 -0.669 -1.650 1.00 0.00 C ATOM 717 CE1 PHE A 55 6.037 -0.595 -3.613 1.00 0.00 C ATOM 718 CE2 PHE A 55 3.959 0.270 -2.688 1.00 0.00 C ATOM 719 CZ PHE A 55 5.011 0.351 -3.595 1.00 0.00 C ATOM 0 H PHE A 55 5.052 -4.343 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 55 6.971 -3.484 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.938 -3.343 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.889 -2.462 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.751 -2.429 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.354 -0.612 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.845 -0.512 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.102 0.921 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.034 1.166 -4.303 1.00 0.00 H new ATOM 729 N GLU A 56 4.698 -5.753 0.176 1.00 0.00 N ATOM 730 CA GLU A 56 4.299 -6.567 1.302 1.00 0.00 C ATOM 731 C GLU A 56 5.345 -7.621 1.628 1.00 0.00 C ATOM 732 O GLU A 56 5.357 -7.983 2.814 1.00 0.00 O ATOM 733 CB GLU A 56 2.950 -7.207 1.000 1.00 0.00 C ATOM 734 CG GLU A 56 1.767 -6.272 0.740 1.00 0.00 C ATOM 735 CD GLU A 56 0.714 -6.456 1.825 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.931 -6.075 2.999 1.00 0.00 O ATOM 737 OE2 GLU A 56 -0.317 -7.111 1.597 1.00 0.00 O ATOM 0 H GLU A 56 4.164 -5.902 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 56 4.208 -5.931 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.070 -7.848 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.690 -7.854 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.107 -5.237 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.334 -6.482 -0.238 1.00 0.00 H new ATOM 744 N SER A 57 6.331 -7.958 0.800 1.00 0.00 N ATOM 745 CA SER A 57 7.286 -9.021 1.029 1.00 0.00 C ATOM 746 C SER A 57 8.685 -8.466 1.232 1.00 0.00 C ATOM 747 O SER A 57 9.597 -9.282 1.387 1.00 0.00 O ATOM 748 CB SER A 57 7.218 -9.847 -0.253 1.00 0.00 C ATOM 749 OG SER A 57 7.405 -8.979 -1.361 1.00 0.00 O ATOM 0 H SER A 57 6.486 -7.473 -0.084 1.00 0.00 H new ATOM 0 HA SER A 57 7.061 -9.600 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.985 -10.621 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.255 -10.353 -0.327 1.00 0.00 H new ATOM 0 HG SER A 57 6.536 -8.640 -1.662 1.00 0.00 H new ATOM 755 N GLY A 58 8.764 -7.130 1.125 1.00 0.00 N ATOM 756 CA GLY A 58 9.938 -6.286 1.245 1.00 0.00 C ATOM 757 C GLY A 58 11.055 -6.413 0.215 1.00 0.00 C ATOM 758 O GLY A 58 12.173 -6.165 0.633 1.00 0.00 O ATOM 0 H GLY A 58 7.929 -6.576 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.599 -5.250 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.375 -6.469 2.227 1.00 0.00 H new ATOM 762 N LYS A 59 10.783 -6.811 -1.036 1.00 0.00 N ATOM 763 CA LYS A 59 11.650 -7.171 -2.138 1.00 0.00 C ATOM 764 C LYS A 59 12.115 -5.972 -2.952 1.00 0.00 C ATOM 765 O LYS A 59 12.802 -6.150 -3.961 1.00 0.00 O ATOM 766 CB LYS A 59 11.025 -8.273 -2.980 1.00 0.00 C ATOM 767 CG LYS A 59 10.999 -9.522 -2.096 1.00 0.00 C ATOM 768 CD LYS A 59 10.657 -10.722 -2.958 1.00 0.00 C ATOM 769 CE LYS A 59 10.482 -11.802 -1.889 1.00 0.00 C ATOM 770 NZ LYS A 59 10.288 -13.115 -2.513 1.00 0.00 N ATOM 0 H LYS A 59 9.808 -6.895 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 59 12.567 -7.577 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.019 -7.998 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.606 -8.449 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.967 -9.665 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.263 -9.406 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.749 -10.567 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.452 -10.964 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.358 -11.826 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.626 -11.562 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.171 -13.837 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.438 -13.092 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.117 -13.348 -3.096 1.00 0.00 H new ATOM 784 N LEU A 60 11.791 -4.772 -2.456 1.00 0.00 N ATOM 785 CA LEU A 60 11.858 -3.496 -3.131 1.00 0.00 C ATOM 786 C LEU A 60 12.441 -2.450 -2.186 1.00 0.00 C ATOM 787 O LEU A 60 12.206 -2.445 -0.971 1.00 0.00 O ATOM 788 CB LEU A 60 10.457 -3.080 -3.550 1.00 0.00 C ATOM 789 CG LEU A 60 10.214 -1.655 -4.068 1.00 0.00 C ATOM 790 CD1 LEU A 60 9.227 -1.599 -5.222 1.00 0.00 C ATOM 791 CD2 LEU A 60 9.756 -0.763 -2.926 1.00 0.00 C ATOM 0 H LEU A 60 11.451 -4.674 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 60 12.494 -3.579 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.130 -3.770 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.801 -3.232 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 60 11.163 -1.291 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.099 -0.565 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.606 -2.192 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.266 -2.000 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.585 0.247 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.830 -1.156 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.524 -0.739 -2.153 1.00 0.00 H new ATOM 803 N LYS A 61 13.230 -1.526 -2.758 1.00 0.00 N ATOM 804 CA LYS A 61 13.817 -0.480 -1.948 1.00 0.00 C ATOM 805 C LYS A 61 12.827 0.648 -1.752 1.00 0.00 C ATOM 806 O LYS A 61 12.247 1.057 -2.769 1.00 0.00 O ATOM 807 CB LYS A 61 15.027 0.018 -2.747 1.00 0.00 C ATOM 808 CG LYS A 61 15.830 1.038 -1.939 1.00 0.00 C ATOM 809 CD LYS A 61 17.253 1.250 -2.484 1.00 0.00 C ATOM 810 CE LYS A 61 18.178 2.004 -1.553 1.00 0.00 C ATOM 811 NZ LYS A 61 19.284 2.630 -2.306 1.00 0.00 N ATOM 0 H LYS A 61 13.463 -1.491 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 61 14.098 -0.841 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.665 -0.825 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.691 0.470 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.301 1.991 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.889 0.707 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.693 0.277 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.190 1.791 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.617 2.770 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.582 1.323 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.906 3.142 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.830 1.894 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.896 3.296 -3.004 1.00 0.00 H new ATOM 825 N PRO A 62 12.530 1.077 -0.533 1.00 0.00 N ATOM 826 CA PRO A 62 11.438 1.967 -0.220 1.00 0.00 C ATOM 827 C PRO A 62 11.788 3.424 -0.463 1.00 0.00 C ATOM 828 O PRO A 62 12.940 3.787 -0.223 1.00 0.00 O ATOM 829 CB PRO A 62 11.197 1.788 1.282 1.00 0.00 C ATOM 830 CG PRO A 62 12.608 1.534 1.763 1.00 0.00 C ATOM 831 CD PRO A 62 13.336 0.787 0.648 1.00 0.00 C ATOM 0 HA PRO A 62 10.577 1.732 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.757 2.674 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.530 0.954 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.112 2.473 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.602 0.946 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.361 1.138 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.387 -0.283 0.847 1.00 0.00 H new ATOM 839 N THR A 63 10.842 4.309 -0.801 1.00 0.00 N ATOM 840 CA THR A 63 11.116 5.720 -0.937 1.00 0.00 C ATOM 841 C THR A 63 10.248 6.600 -0.047 1.00 0.00 C ATOM 842 O THR A 63 9.259 6.193 0.571 1.00 0.00 O ATOM 843 CB THR A 63 10.917 6.094 -2.400 1.00 0.00 C ATOM 844 OG1 THR A 63 9.515 6.069 -2.627 1.00 0.00 O ATOM 845 CG2 THR A 63 11.383 5.122 -3.472 1.00 0.00 C ATOM 0 H THR A 63 9.872 4.054 -0.985 1.00 0.00 H new ATOM 0 HA THR A 63 12.141 5.897 -0.612 1.00 0.00 H new ATOM 0 HB THR A 63 11.482 7.021 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.330 6.306 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.169 5.537 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.456 4.958 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.859 4.174 -3.356 1.00 0.00 H new ATOM 853 N ILE A 64 10.636 7.859 0.127 1.00 0.00 N ATOM 854 CA ILE A 64 9.858 8.854 0.858 1.00 0.00 C ATOM 855 C ILE A 64 8.510 9.150 0.226 1.00 0.00 C ATOM 856 O ILE A 64 7.526 8.951 0.947 1.00 0.00 O ATOM 857 CB ILE A 64 10.561 10.169 1.175 1.00 0.00 C ATOM 858 CG1 ILE A 64 11.179 10.781 -0.068 1.00 0.00 C ATOM 859 CG2 ILE A 64 11.592 9.950 2.286 1.00 0.00 C ATOM 860 CD1 ILE A 64 11.762 12.183 0.129 1.00 0.00 C ATOM 0 H ILE A 64 11.514 8.223 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 64 9.715 8.348 1.813 1.00 0.00 H new ATOM 0 HB ILE A 64 9.823 10.886 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.969 10.121 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 64 10.421 10.825 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.092 10.892 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.090 9.585 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.329 9.217 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.181 12.538 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.974 12.862 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.546 12.148 0.885 1.00 0.00 H new ATOM 872 N SER A 65 8.389 9.443 -1.067 1.00 0.00 N ATOM 873 CA SER A 65 7.096 9.522 -1.722 1.00 0.00 C ATOM 874 C SER A 65 6.193 8.301 -1.601 1.00 0.00 C ATOM 875 O SER A 65 4.981 8.424 -1.748 1.00 0.00 O ATOM 876 CB SER A 65 7.331 9.889 -3.181 1.00 0.00 C ATOM 877 OG SER A 65 8.039 8.852 -3.809 1.00 0.00 O ATOM 0 H SER A 65 9.181 9.630 -1.682 1.00 0.00 H new ATOM 0 HA SER A 65 6.532 10.288 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.379 10.053 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.892 10.821 -3.248 1.00 0.00 H new ATOM 0 HG SER A 65 8.192 9.083 -4.749 1.00 0.00 H new ATOM 883 N GLN A 66 6.771 7.129 -1.315 1.00 0.00 N ATOM 884 CA GLN A 66 5.964 5.927 -1.139 1.00 0.00 C ATOM 885 C GLN A 66 5.237 5.919 0.209 1.00 0.00 C ATOM 886 O GLN A 66 4.033 6.129 0.245 1.00 0.00 O ATOM 887 CB GLN A 66 6.852 4.728 -1.435 1.00 0.00 C ATOM 888 CG GLN A 66 6.902 4.352 -2.912 1.00 0.00 C ATOM 889 CD GLN A 66 7.853 3.188 -3.162 1.00 0.00 C ATOM 890 OE1 GLN A 66 8.248 2.345 -2.352 1.00 0.00 O ATOM 891 NE2 GLN A 66 8.212 2.990 -4.440 1.00 0.00 N ATOM 0 H GLN A 66 7.776 6.992 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 66 5.135 5.889 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.863 4.942 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.494 3.872 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.902 4.086 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.220 5.215 -3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.918 3.650 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.778 2.180 -4.691 1.00 0.00 H new ATOM 900 N ALA A 67 5.882 5.651 1.345 1.00 0.00 N ATOM 901 CA ALA A 67 5.577 6.138 2.674 1.00 0.00 C ATOM 902 C ALA A 67 4.580 7.287 2.802 1.00 0.00 C ATOM 903 O ALA A 67 3.505 7.004 3.345 1.00 0.00 O ATOM 904 CB ALA A 67 6.918 6.334 3.357 1.00 0.00 C ATOM 0 H ALA A 67 6.696 5.037 1.350 1.00 0.00 H new ATOM 0 HA ALA A 67 4.976 5.395 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.760 6.703 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.449 5.383 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.510 7.057 2.796 1.00 0.00 H new ATOM 910 N ARG A 68 4.868 8.476 2.253 1.00 0.00 N ATOM 911 CA ARG A 68 4.063 9.675 2.281 1.00 0.00 C ATOM 912 C ARG A 68 2.701 9.335 1.681 1.00 0.00 C ATOM 913 O ARG A 68 1.692 9.770 2.231 1.00 0.00 O ATOM 914 CB ARG A 68 4.766 10.825 1.575 1.00 0.00 C ATOM 915 CG ARG A 68 5.855 11.513 2.407 1.00 0.00 C ATOM 916 CD ARG A 68 6.572 12.596 1.610 1.00 0.00 C ATOM 917 NE ARG A 68 7.837 12.994 2.212 1.00 0.00 N ATOM 918 CZ ARG A 68 8.716 13.793 1.578 1.00 0.00 C ATOM 919 NH1 ARG A 68 8.626 13.995 0.255 1.00 0.00 N ATOM 920 NH2 ARG A 68 9.695 14.324 2.314 1.00 0.00 N ATOM 0 H ARG A 68 5.739 8.620 1.742 1.00 0.00 H new ATOM 0 HA ARG A 68 3.915 10.022 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.213 10.450 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.022 11.568 1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.409 11.953 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.578 10.771 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.754 12.236 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.924 13.468 1.526 1.00 0.00 H new ATOM 0 HE ARG A 68 8.065 12.656 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.886 13.541 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.297 14.602 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.753 14.118 3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.385 14.936 1.879 1.00 0.00 H new ATOM 934 N GLN A 69 2.610 8.704 0.510 1.00 0.00 N ATOM 935 CA GLN A 69 1.357 8.338 -0.122 1.00 0.00 C ATOM 936 C GLN A 69 0.661 7.359 0.811 1.00 0.00 C ATOM 937 O GLN A 69 -0.560 7.427 0.859 1.00 0.00 O ATOM 938 CB GLN A 69 1.492 7.605 -1.463 1.00 0.00 C ATOM 939 CG GLN A 69 1.665 8.570 -2.633 1.00 0.00 C ATOM 940 CD GLN A 69 2.225 7.708 -3.762 1.00 0.00 C ATOM 941 OE1 GLN A 69 1.418 7.250 -4.562 1.00 0.00 O ATOM 942 NE2 GLN A 69 3.548 7.629 -3.898 1.00 0.00 N ATOM 0 H GLN A 69 3.429 8.430 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 69 0.826 9.271 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.347 6.930 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.608 6.990 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.716 9.025 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.346 9.383 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.159 8.035 -3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.950 7.163 -4.711 1.00 0.00 H new ATOM 951 N LEU A 70 1.365 6.377 1.372 1.00 0.00 N ATOM 952 CA LEU A 70 0.666 5.298 2.036 1.00 0.00 C ATOM 953 C LEU A 70 -0.112 5.843 3.234 1.00 0.00 C ATOM 954 O LEU A 70 -1.254 5.385 3.376 1.00 0.00 O ATOM 955 CB LEU A 70 1.628 4.191 2.450 1.00 0.00 C ATOM 956 CG LEU A 70 2.208 3.396 1.277 1.00 0.00 C ATOM 957 CD1 LEU A 70 3.457 2.657 1.733 1.00 0.00 C ATOM 958 CD2 LEU A 70 1.135 2.484 0.663 1.00 0.00 C ATOM 0 H LEU A 70 2.383 6.312 1.378 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.044 4.857 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.448 4.631 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.109 3.505 3.119 1.00 0.00 H new ATOM 0 HG LEU A 70 2.516 4.069 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.870 2.091 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.197 3.376 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.200 1.974 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.564 1.926 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.774 1.787 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.304 3.091 0.303 1.00 0.00 H new ATOM 970 N GLU A 71 0.454 6.670 4.110 1.00 0.00 N ATOM 971 CA GLU A 71 -0.212 7.397 5.170 1.00 0.00 C ATOM 972 C GLU A 71 -1.434 8.205 4.784 1.00 0.00 C ATOM 973 O GLU A 71 -2.310 8.553 5.576 1.00 0.00 O ATOM 974 CB GLU A 71 0.865 8.339 5.680 1.00 0.00 C ATOM 975 CG GLU A 71 1.703 7.606 6.733 1.00 0.00 C ATOM 976 CD GLU A 71 2.716 8.544 7.389 1.00 0.00 C ATOM 977 OE1 GLU A 71 2.256 9.651 7.757 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.896 8.236 7.645 1.00 0.00 O ATOM 0 H GLU A 71 1.456 6.857 4.091 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.611 6.680 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.498 8.669 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.412 9.231 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.047 7.186 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.226 6.771 6.267 1.00 0.00 H new ATOM 985 N LYS A 72 -1.512 8.559 3.494 1.00 0.00 N ATOM 986 CA LYS A 72 -2.574 9.387 2.951 1.00 0.00 C ATOM 987 C LYS A 72 -3.748 8.624 2.346 1.00 0.00 C ATOM 988 O LYS A 72 -4.861 9.101 2.504 1.00 0.00 O ATOM 989 CB LYS A 72 -1.929 10.372 1.970 1.00 0.00 C ATOM 990 CG LYS A 72 -1.307 11.559 2.712 1.00 0.00 C ATOM 991 CD LYS A 72 -0.549 12.421 1.705 1.00 0.00 C ATOM 992 CE LYS A 72 0.543 13.262 2.354 1.00 0.00 C ATOM 993 NZ LYS A 72 1.801 12.518 2.432 1.00 0.00 N ATOM 0 H LYS A 72 -0.826 8.270 2.797 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.050 9.919 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.163 9.861 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.678 10.732 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.083 12.146 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.632 11.206 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.104 11.778 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.252 13.078 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.692 14.177 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.230 13.561 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.203 12.615 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.623 11.513 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.472 12.896 1.733 1.00 0.00 H new ATOM 1007 N ILE A 73 -3.509 7.688 1.432 1.00 0.00 N ATOM 1008 CA ILE A 73 -4.475 7.037 0.570 1.00 0.00 C ATOM 1009 C ILE A 73 -5.758 6.599 1.244 1.00 0.00 C ATOM 1010 O ILE A 73 -6.787 6.794 0.601 1.00 0.00 O ATOM 1011 CB ILE A 73 -3.862 5.902 -0.236 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -3.095 4.917 0.656 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -3.089 6.502 -1.413 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -2.636 3.619 -0.013 1.00 0.00 C ATOM 0 H ILE A 73 -2.563 7.343 1.267 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.775 7.828 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.632 5.267 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.218 5.427 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.727 4.660 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.643 5.700 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.770 7.077 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.303 7.156 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.106 3.003 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.504 3.075 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.971 3.853 -0.844 1.00 0.00 H new ATOM 1026 N LEU A 74 -5.746 5.888 2.374 1.00 0.00 N ATOM 1027 CA LEU A 74 -6.933 5.255 2.942 1.00 0.00 C ATOM 1028 C LEU A 74 -7.794 6.303 3.648 1.00 0.00 C ATOM 1029 O LEU A 74 -8.843 5.899 4.145 1.00 0.00 O ATOM 1030 CB LEU A 74 -6.430 4.109 3.798 1.00 0.00 C ATOM 1031 CG LEU A 74 -5.393 3.135 3.237 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -5.355 1.937 4.183 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -5.720 2.643 1.830 1.00 0.00 C ATOM 0 H LEU A 74 -4.901 5.735 2.925 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.610 4.832 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.010 4.542 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.298 3.522 4.097 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.437 3.653 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.626 1.212 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.072 2.271 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.340 1.473 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.943 1.956 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.680 2.128 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.771 3.493 1.150 1.00 0.00 H new ATOM 1045 N GLY A 75 -7.350 7.554 3.693 1.00 0.00 N ATOM 1046 CA GLY A 75 -7.940 8.602 4.502 1.00 0.00 C ATOM 1047 C GLY A 75 -7.593 8.443 5.975 1.00 0.00 C ATOM 1048 O GLY A 75 -7.996 9.231 6.826 1.00 0.00 O ATOM 0 H GLY A 75 -6.547 7.871 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.592 9.573 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.023 8.589 4.380 1.00 0.00 H new ATOM 1052 N ILE A 76 -6.821 7.434 6.382 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.400 7.078 7.715 1.00 0.00 C ATOM 1054 C ILE A 76 -5.032 6.390 7.764 1.00 0.00 C ATOM 1055 O ILE A 76 -4.553 5.867 6.770 1.00 0.00 O ATOM 1056 CB ILE A 76 -7.492 6.215 8.343 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -7.846 4.989 7.499 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.786 6.911 8.774 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -8.679 3.969 8.275 1.00 0.00 C ATOM 0 H ILE A 76 -6.439 6.780 5.699 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.264 7.994 8.289 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.001 5.918 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.398 5.307 6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.929 4.515 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.469 6.177 9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.558 7.673 9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.253 7.379 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.904 3.118 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.118 3.628 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.610 4.433 8.602 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.453 6.253 8.941 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.144 5.680 9.208 1.00 0.00 C ATOM 1073 C LYS A 77 -2.870 5.713 10.714 1.00 0.00 C ATOM 1074 O LYS A 77 -3.559 6.467 11.403 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.093 6.531 8.507 1.00 0.00 C ATOM 1076 CG LYS A 77 -1.679 7.882 9.100 1.00 0.00 C ATOM 1077 CD LYS A 77 -2.773 8.946 9.185 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.216 10.327 9.546 1.00 0.00 C ATOM 1079 NZ LYS A 77 -2.250 10.608 10.990 1.00 0.00 N ATOM 0 H LYS A 77 -4.916 6.560 9.797 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.111 4.651 8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.191 5.925 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.450 6.718 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.289 7.711 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.859 8.281 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.294 9.005 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.509 8.648 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.187 10.400 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.789 11.091 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.860 11.556 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.233 10.568 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.681 9.899 11.495 1.00 0.00 H new ATOM 1093 N LEU A 78 -1.898 4.970 11.257 1.00 0.00 N ATOM 1094 CA LEU A 78 -1.706 4.891 12.691 1.00 0.00 C ATOM 1095 C LEU A 78 -0.238 4.636 13.006 1.00 0.00 C ATOM 1096 O LEU A 78 0.549 4.185 12.164 1.00 0.00 O ATOM 1097 CB LEU A 78 -2.435 3.741 13.380 1.00 0.00 C ATOM 1098 CG LEU A 78 -3.900 4.011 13.713 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -4.535 2.851 14.466 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -4.129 5.231 14.609 1.00 0.00 C ATOM 0 H LEU A 78 -1.235 4.417 10.714 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.094 5.842 13.055 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.380 2.861 12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.908 3.497 14.302 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.347 4.173 12.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.577 3.085 14.683 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.485 1.950 13.855 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.998 2.686 15.400 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.196 5.350 14.796 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.608 5.090 15.556 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.746 6.123 14.114 1.00 0.00 H new