USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 14 TYR OH : rot 120:sc= 0.0284 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.238 K(o=-0.21,f=-0.93) USER MOD Set 2.1: A 23 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 30:sc= 0.108 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.3!) USER MOD Single : A 27 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -93:sc= 1.17 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 31 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 43 SER OG : rot 79:sc= 0.0193 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0676) USER MOD Single : A 56 GLN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 57 ASN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.592 12.285 -5.314 1.00 0.00 N ATOM 151 CA THR A 12 0.169 11.127 -4.863 1.00 0.00 C ATOM 152 C THR A 12 -0.196 9.883 -5.664 1.00 0.00 C ATOM 153 O THR A 12 -1.288 9.795 -6.227 1.00 0.00 O ATOM 154 CB THR A 12 -0.067 10.848 -3.366 1.00 0.00 C ATOM 155 OG1 THR A 12 0.226 12.020 -2.597 1.00 0.00 O ATOM 156 CG2 THR A 12 0.800 9.692 -2.889 1.00 0.00 C ATOM 0 HA THR A 12 1.222 11.360 -5.020 1.00 0.00 H new ATOM 0 HB THR A 12 -1.114 10.577 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.051 12.818 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.617 9.513 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.554 8.794 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.851 9.939 -3.039 1.00 0.00 H new ATOM 164 N ILE A 13 0.722 8.924 -5.711 1.00 0.00 N ATOM 165 CA ILE A 13 0.495 7.684 -6.442 1.00 0.00 C ATOM 166 C ILE A 13 -0.858 7.077 -6.087 1.00 0.00 C ATOM 167 O ILE A 13 -1.387 6.242 -6.821 1.00 0.00 O ATOM 168 CB ILE A 13 1.600 6.651 -6.155 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.979 7.264 -6.405 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.402 5.411 -7.015 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.150 7.820 -7.801 1.00 0.00 C ATOM 0 H ILE A 13 1.631 8.982 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 13 0.511 7.935 -7.503 1.00 0.00 H new ATOM 0 HB ILE A 13 1.539 6.357 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.149 8.062 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.742 6.506 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.191 4.690 -6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.433 4.965 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.441 5.689 -8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.151 8.238 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.012 7.022 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.410 8.602 -7.974 1.00 0.00 H new ATOM 183 N TYR A 14 -1.413 7.502 -4.958 1.00 0.00 N ATOM 184 CA TYR A 14 -2.705 7.000 -4.504 1.00 0.00 C ATOM 185 C TYR A 14 -3.550 8.125 -3.913 1.00 0.00 C ATOM 186 O TYR A 14 -3.024 9.063 -3.315 1.00 0.00 O ATOM 187 CB TYR A 14 -2.509 5.894 -3.465 1.00 0.00 C ATOM 188 CG TYR A 14 -2.101 4.567 -4.063 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.813 4.366 -4.545 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.003 3.513 -4.145 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.436 3.156 -5.093 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.634 2.298 -4.690 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.350 2.125 -5.163 1.00 0.00 C ATOM 194 OH TYR A 14 -0.977 0.917 -5.707 1.00 0.00 O ATOM 0 H TYR A 14 -0.989 8.193 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.231 6.590 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.749 6.210 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.436 5.762 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.094 5.170 -4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.009 3.646 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.569 3.017 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.347 1.489 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.084 0.210 -5.037 1.00 0.00 H new ATOM 204 N SER A 15 -4.864 8.022 -4.086 1.00 0.00 N ATOM 205 CA SER A 15 -5.783 9.031 -3.574 1.00 0.00 C ATOM 206 C SER A 15 -5.923 8.919 -2.059 1.00 0.00 C ATOM 207 O SER A 15 -5.751 7.843 -1.486 1.00 0.00 O ATOM 208 CB SER A 15 -7.155 8.885 -4.236 1.00 0.00 C ATOM 209 OG SER A 15 -7.087 9.185 -5.619 1.00 0.00 O ATOM 0 H SER A 15 -5.316 7.250 -4.577 1.00 0.00 H new ATOM 0 HA SER A 15 -5.375 10.013 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.522 7.868 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.869 9.550 -3.751 1.00 0.00 H new ATOM 0 HG SER A 15 -7.975 9.083 -6.020 1.00 0.00 H new ATOM 215 N SER A 16 -6.236 10.040 -1.415 1.00 0.00 N ATOM 216 CA SER A 16 -6.396 10.070 0.034 1.00 0.00 C ATOM 217 C SER A 16 -7.398 9.015 0.492 1.00 0.00 C ATOM 218 O SER A 16 -7.208 8.368 1.522 1.00 0.00 O ATOM 219 CB SER A 16 -6.854 11.457 0.489 1.00 0.00 C ATOM 220 OG SER A 16 -8.028 11.857 -0.197 1.00 0.00 O ATOM 0 H SER A 16 -6.384 10.939 -1.874 1.00 0.00 H new ATOM 0 HA SER A 16 -5.429 9.848 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.042 11.447 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.060 12.182 0.311 1.00 0.00 H new ATOM 0 HG SER A 16 -8.301 12.746 0.113 1.00 0.00 H new ATOM 226 N PHE A 17 -8.466 8.847 -0.281 1.00 0.00 N ATOM 227 CA PHE A 17 -9.500 7.872 0.045 1.00 0.00 C ATOM 228 C PHE A 17 -8.932 6.456 0.042 1.00 0.00 C ATOM 229 O PHE A 17 -9.141 5.691 0.983 1.00 0.00 O ATOM 230 CB PHE A 17 -10.657 7.971 -0.951 1.00 0.00 C ATOM 231 CG PHE A 17 -11.531 6.750 -0.979 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.190 5.655 -1.756 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.694 6.698 -0.228 1.00 0.00 C ATOM 234 CE1 PHE A 17 -11.992 4.530 -1.783 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.500 5.575 -0.251 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.149 4.490 -1.030 1.00 0.00 C ATOM 0 H PHE A 17 -8.638 9.374 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.871 8.094 1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.267 8.839 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.253 8.142 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.287 5.681 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.974 7.544 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.714 3.683 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.404 5.546 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.778 3.612 -1.050 1.00 0.00 H new ATOM 246 N GLN A 18 -8.213 6.115 -1.022 1.00 0.00 N ATOM 247 CA GLN A 18 -7.616 4.791 -1.148 1.00 0.00 C ATOM 248 C GLN A 18 -6.525 4.583 -0.102 1.00 0.00 C ATOM 249 O GLN A 18 -6.381 3.492 0.452 1.00 0.00 O ATOM 250 CB GLN A 18 -7.036 4.601 -2.551 1.00 0.00 C ATOM 251 CG GLN A 18 -8.094 4.466 -3.634 1.00 0.00 C ATOM 252 CD GLN A 18 -7.497 4.222 -5.006 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.406 4.701 -5.315 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.212 3.473 -5.838 1.00 0.00 N ATOM 0 H GLN A 18 -8.030 6.737 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.399 4.051 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.393 5.449 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.406 3.711 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.764 3.644 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.699 5.373 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.112 3.096 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.861 3.275 -6.775 1.00 0.00 H new ATOM 263 N LEU A 19 -5.760 5.636 0.165 1.00 0.00 N ATOM 264 CA LEU A 19 -4.682 5.570 1.145 1.00 0.00 C ATOM 265 C LEU A 19 -5.237 5.389 2.554 1.00 0.00 C ATOM 266 O LEU A 19 -4.919 4.417 3.238 1.00 0.00 O ATOM 267 CB LEU A 19 -3.828 6.837 1.079 1.00 0.00 C ATOM 268 CG LEU A 19 -2.667 6.814 0.084 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.771 8.026 0.281 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.867 5.528 0.229 1.00 0.00 C ATOM 0 H LEU A 19 -5.867 6.546 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.060 4.707 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.477 7.676 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.425 7.031 2.073 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.077 6.852 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.951 7.992 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.351 8.936 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.368 8.020 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.045 5.528 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.467 5.460 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.515 4.673 0.037 1.00 0.00 H new ATOM 282 N ALA A 20 -6.072 6.332 2.981 1.00 0.00 N ATOM 283 CA ALA A 20 -6.675 6.275 4.306 1.00 0.00 C ATOM 284 C ALA A 20 -6.948 4.834 4.724 1.00 0.00 C ATOM 285 O ALA A 20 -6.547 4.404 5.805 1.00 0.00 O ATOM 286 CB ALA A 20 -7.961 7.087 4.336 1.00 0.00 C ATOM 0 H ALA A 20 -6.346 7.144 2.428 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.970 6.705 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.401 7.035 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.741 8.126 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.664 6.682 3.608 1.00 0.00 H new ATOM 292 N ALA A 21 -7.633 4.092 3.860 1.00 0.00 N ATOM 293 CA ALA A 21 -7.957 2.699 4.139 1.00 0.00 C ATOM 294 C ALA A 21 -6.709 1.824 4.095 1.00 0.00 C ATOM 295 O ALA A 21 -6.459 1.035 5.007 1.00 0.00 O ATOM 296 CB ALA A 21 -8.995 2.190 3.149 1.00 0.00 C ATOM 0 H ALA A 21 -7.974 4.433 2.961 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.372 2.644 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.228 1.148 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.902 2.790 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.600 2.267 2.136 1.00 0.00 H new ATOM 302 N LEU A 22 -5.928 1.969 3.030 1.00 0.00 N ATOM 303 CA LEU A 22 -4.705 1.191 2.867 1.00 0.00 C ATOM 304 C LEU A 22 -3.860 1.232 4.137 1.00 0.00 C ATOM 305 O LEU A 22 -3.616 0.201 4.763 1.00 0.00 O ATOM 306 CB LEU A 22 -3.893 1.723 1.684 1.00 0.00 C ATOM 307 CG LEU A 22 -4.266 1.166 0.310 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.419 1.812 -0.776 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.106 -0.347 0.285 1.00 0.00 C ATOM 0 H LEU A 22 -6.120 2.618 2.267 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.985 0.156 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.998 2.808 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.840 1.510 1.867 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.312 1.403 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.699 1.403 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.585 2.889 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.365 1.607 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.376 -0.725 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.070 -0.607 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.757 -0.794 1.036 1.00 0.00 H new ATOM 321 N GLN A 23 -3.421 2.429 4.511 1.00 0.00 N ATOM 322 CA GLN A 23 -2.605 2.603 5.707 1.00 0.00 C ATOM 323 C GLN A 23 -3.296 2.004 6.928 1.00 0.00 C ATOM 324 O GLN A 23 -2.669 1.312 7.731 1.00 0.00 O ATOM 325 CB GLN A 23 -2.320 4.087 5.944 1.00 0.00 C ATOM 326 CG GLN A 23 -1.206 4.640 5.070 1.00 0.00 C ATOM 327 CD GLN A 23 -0.723 6.000 5.531 1.00 0.00 C ATOM 328 OE1 GLN A 23 -1.460 6.748 6.175 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.522 6.329 5.205 1.00 0.00 N ATOM 0 H GLN A 23 -3.616 3.292 4.004 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.661 2.080 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.231 4.657 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.056 4.235 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.369 3.942 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.559 4.714 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.098 5.679 4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.902 7.232 5.489 1.00 0.00 H new ATOM 338 N ARG A 24 -4.590 2.276 7.063 1.00 0.00 N ATOM 339 CA ARG A 24 -5.364 1.765 8.187 1.00 0.00 C ATOM 340 C ARG A 24 -5.138 0.267 8.368 1.00 0.00 C ATOM 341 O ARG A 24 -5.142 -0.240 9.490 1.00 0.00 O ATOM 342 CB ARG A 24 -6.854 2.045 7.977 1.00 0.00 C ATOM 343 CG ARG A 24 -7.636 2.188 9.272 1.00 0.00 C ATOM 344 CD ARG A 24 -8.921 2.974 9.064 1.00 0.00 C ATOM 345 NE ARG A 24 -8.665 4.308 8.527 1.00 0.00 N ATOM 346 CZ ARG A 24 -9.605 5.073 7.983 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.855 4.638 7.903 1.00 0.00 N ATOM 348 NH2 ARG A 24 -9.294 6.276 7.517 1.00 0.00 N ATOM 0 H ARG A 24 -5.124 2.847 6.408 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.028 2.277 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.964 2.959 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.287 1.236 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.873 1.200 9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.019 2.689 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.574 2.428 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.451 3.060 10.013 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.713 4.672 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.097 3.714 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.574 5.228 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.333 6.613 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.016 6.863 7.099 1.00 0.00 H new ATOM 362 N ARG A 25 -4.941 -0.435 7.257 1.00 0.00 N ATOM 363 CA ARG A 25 -4.715 -1.874 7.292 1.00 0.00 C ATOM 364 C ARG A 25 -3.249 -2.187 7.576 1.00 0.00 C ATOM 365 O ARG A 25 -2.935 -3.093 8.348 1.00 0.00 O ATOM 366 CB ARG A 25 -5.137 -2.511 5.967 1.00 0.00 C ATOM 367 CG ARG A 25 -5.208 -4.029 6.016 1.00 0.00 C ATOM 368 CD ARG A 25 -6.398 -4.505 6.834 1.00 0.00 C ATOM 369 NE ARG A 25 -6.206 -5.860 7.344 1.00 0.00 N ATOM 370 CZ ARG A 25 -7.192 -6.615 7.814 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.434 -6.151 7.838 1.00 0.00 N ATOM 372 NH2 ARG A 25 -6.937 -7.839 8.260 1.00 0.00 N ATOM 0 H ARG A 25 -4.933 -0.030 6.321 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.320 -2.292 8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.113 -2.119 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.433 -2.214 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.280 -4.424 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.288 -4.424 6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.560 -3.823 7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.297 -4.474 6.218 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.263 -6.248 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.634 -5.212 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.189 -6.734 8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.983 -8.200 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.695 -8.418 8.621 1.00 0.00 H new ATOM 386 N PHE A 26 -2.355 -1.432 6.946 1.00 0.00 N ATOM 387 CA PHE A 26 -0.922 -1.630 7.128 1.00 0.00 C ATOM 388 C PHE A 26 -0.576 -1.762 8.609 1.00 0.00 C ATOM 389 O PHE A 26 0.176 -2.652 9.003 1.00 0.00 O ATOM 390 CB PHE A 26 -0.143 -0.466 6.513 1.00 0.00 C ATOM 391 CG PHE A 26 1.347 -0.653 6.555 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.936 -1.764 5.973 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.158 0.282 7.177 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.306 -1.939 6.010 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.529 0.113 7.217 1.00 0.00 C ATOM 396 CZ PHE A 26 4.104 -1.000 6.634 1.00 0.00 C ATOM 0 H PHE A 26 -2.598 -0.677 6.305 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.640 -2.554 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.456 -0.337 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.401 0.452 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.317 -2.502 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.714 1.153 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.752 -2.809 5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.150 0.850 7.704 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.175 -1.135 6.666 1.00 0.00 H new ATOM 406 N GLN A 27 -1.130 -0.868 9.422 1.00 0.00 N ATOM 407 CA GLN A 27 -0.879 -0.884 10.858 1.00 0.00 C ATOM 408 C GLN A 27 -1.453 -2.144 11.497 1.00 0.00 C ATOM 409 O GLN A 27 -0.842 -2.735 12.388 1.00 0.00 O ATOM 410 CB GLN A 27 -1.484 0.357 11.517 1.00 0.00 C ATOM 411 CG GLN A 27 -2.968 0.532 11.237 1.00 0.00 C ATOM 412 CD GLN A 27 -3.583 1.663 12.036 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.980 2.170 12.982 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.791 2.067 11.658 1.00 0.00 N ATOM 0 H GLN A 27 -1.755 -0.124 9.111 1.00 0.00 H new ATOM 0 HA GLN A 27 0.200 -0.879 11.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.331 0.297 12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.950 1.241 11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.113 0.723 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.490 -0.397 11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.255 1.619 10.868 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.255 2.826 12.158 1.00 0.00 H new ATOM 423 N LYS A 28 -2.631 -2.552 11.037 1.00 0.00 N ATOM 424 CA LYS A 28 -3.288 -3.743 11.562 1.00 0.00 C ATOM 425 C LYS A 28 -2.394 -4.969 11.408 1.00 0.00 C ATOM 426 O LYS A 28 -2.149 -5.697 12.372 1.00 0.00 O ATOM 427 CB LYS A 28 -4.619 -3.975 10.843 1.00 0.00 C ATOM 428 CG LYS A 28 -5.752 -3.111 11.369 1.00 0.00 C ATOM 429 CD LYS A 28 -6.552 -3.832 12.441 1.00 0.00 C ATOM 430 CE LYS A 28 -6.066 -3.469 13.836 1.00 0.00 C ATOM 431 NZ LYS A 28 -6.247 -4.594 14.796 1.00 0.00 N ATOM 0 H LYS A 28 -3.151 -2.074 10.301 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.479 -3.585 12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.487 -3.778 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.897 -5.024 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.346 -2.186 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.411 -2.834 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.607 -3.576 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.471 -4.909 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.012 -3.194 13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.610 -2.595 14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.904 -4.308 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.256 -4.840 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.708 -5.421 14.468 1.00 0.00 H new ATOM 445 N THR A 29 -1.909 -5.194 10.191 1.00 0.00 N ATOM 446 CA THR A 29 -1.043 -6.332 9.912 1.00 0.00 C ATOM 447 C THR A 29 -0.153 -6.063 8.704 1.00 0.00 C ATOM 448 O THR A 29 -0.609 -5.529 7.693 1.00 0.00 O ATOM 449 CB THR A 29 -1.861 -7.612 9.657 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.031 -8.613 9.058 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.049 -7.323 8.752 1.00 0.00 C ATOM 0 H THR A 29 -2.102 -4.603 9.383 1.00 0.00 H new ATOM 0 HA THR A 29 -0.420 -6.478 10.794 1.00 0.00 H new ATOM 0 HB THR A 29 -2.234 -7.976 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.102 -8.556 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.612 -8.242 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.694 -6.582 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.693 -6.938 7.796 1.00 0.00 H new ATOM 459 N GLN A 30 1.118 -6.436 8.815 1.00 0.00 N ATOM 460 CA GLN A 30 2.071 -6.234 7.730 1.00 0.00 C ATOM 461 C GLN A 30 1.715 -7.098 6.525 1.00 0.00 C ATOM 462 O GLN A 30 1.960 -6.716 5.380 1.00 0.00 O ATOM 463 CB GLN A 30 3.489 -6.557 8.202 1.00 0.00 C ATOM 464 CG GLN A 30 4.081 -5.497 9.118 1.00 0.00 C ATOM 465 CD GLN A 30 5.332 -5.975 9.831 1.00 0.00 C ATOM 466 OE1 GLN A 30 6.054 -6.838 9.331 1.00 0.00 O ATOM 467 NE2 GLN A 30 5.594 -5.414 11.005 1.00 0.00 N ATOM 0 H GLN A 30 1.511 -6.880 9.645 1.00 0.00 H new ATOM 0 HA GLN A 30 2.025 -5.187 7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.480 -7.513 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.135 -6.675 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.318 -4.608 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.336 -5.203 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.968 -4.702 11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.422 -5.695 11.531 1.00 0.00 H new ATOM 476 N TYR A 31 1.135 -8.263 6.789 1.00 0.00 N ATOM 477 CA TYR A 31 0.748 -9.183 5.726 1.00 0.00 C ATOM 478 C TYR A 31 -0.770 -9.320 5.650 1.00 0.00 C ATOM 479 O TYR A 31 -1.470 -9.170 6.653 1.00 0.00 O ATOM 480 CB TYR A 31 1.384 -10.555 5.953 1.00 0.00 C ATOM 481 CG TYR A 31 2.813 -10.647 5.469 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.768 -9.726 5.882 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.210 -11.656 4.600 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.075 -9.806 5.442 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.515 -11.745 4.156 1.00 0.00 C ATOM 486 CZ TYR A 31 5.444 -10.817 4.579 1.00 0.00 C ATOM 487 OH TYR A 31 6.745 -10.901 4.140 1.00 0.00 O ATOM 0 H TYR A 31 0.922 -8.593 7.730 1.00 0.00 H new ATOM 0 HA TYR A 31 1.106 -8.776 4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.354 -10.789 7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.787 -11.312 5.444 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.483 -8.934 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.485 -12.384 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.804 -9.081 5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.806 -12.537 3.482 1.00 0.00 H new ATOM 0 HH TYR A 31 6.839 -11.670 3.539 1.00 0.00 H new ATOM 497 N LEU A 32 -1.272 -9.605 4.454 1.00 0.00 N ATOM 498 CA LEU A 32 -2.707 -9.764 4.245 1.00 0.00 C ATOM 499 C LEU A 32 -3.018 -11.109 3.596 1.00 0.00 C ATOM 500 O LEU A 32 -2.298 -11.561 2.706 1.00 0.00 O ATOM 501 CB LEU A 32 -3.244 -8.627 3.372 1.00 0.00 C ATOM 502 CG LEU A 32 -3.585 -7.326 4.100 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.261 -6.347 3.153 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.473 -7.606 5.304 1.00 0.00 C ATOM 0 H LEU A 32 -0.707 -9.731 3.614 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.197 -9.730 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.504 -8.406 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.140 -8.980 2.861 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.658 -6.876 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.497 -5.427 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.591 -6.123 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.180 -6.789 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.706 -6.669 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.397 -8.079 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.953 -8.271 5.993 1.00 0.00 H new ATOM 516 N ALA A 33 -4.096 -11.742 4.046 1.00 0.00 N ATOM 517 CA ALA A 33 -4.505 -13.033 3.506 1.00 0.00 C ATOM 518 C ALA A 33 -4.985 -12.898 2.066 1.00 0.00 C ATOM 519 O ALA A 33 -5.083 -11.792 1.534 1.00 0.00 O ATOM 520 CB ALA A 33 -5.594 -13.647 4.373 1.00 0.00 C ATOM 0 H ALA A 33 -4.702 -11.382 4.783 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.637 -13.693 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.890 -14.611 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.216 -13.789 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.457 -12.982 4.398 1.00 0.00 H new ATOM 526 N LEU A 34 -5.284 -14.031 1.438 1.00 0.00 N ATOM 527 CA LEU A 34 -5.755 -14.039 0.058 1.00 0.00 C ATOM 528 C LEU A 34 -6.989 -13.157 -0.103 1.00 0.00 C ATOM 529 O LEU A 34 -6.995 -12.187 -0.861 1.00 0.00 O ATOM 530 CB LEU A 34 -6.074 -15.469 -0.384 1.00 0.00 C ATOM 531 CG LEU A 34 -7.229 -15.622 -1.375 1.00 0.00 C ATOM 532 CD1 LEU A 34 -6.831 -15.092 -2.744 1.00 0.00 C ATOM 533 CD2 LEU A 34 -7.659 -17.079 -1.470 1.00 0.00 C ATOM 0 H LEU A 34 -5.208 -14.955 1.863 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.961 -13.638 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.178 -15.898 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.302 -16.060 0.503 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.074 -15.036 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.665 -15.209 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.571 -14.036 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.971 -15.650 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.482 -17.170 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.819 -17.685 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.985 -17.427 -0.490 1.00 0.00 H new ATOM 545 N PRO A 35 -8.060 -13.499 0.630 1.00 0.00 N ATOM 546 CA PRO A 35 -9.318 -12.749 0.588 1.00 0.00 C ATOM 547 C PRO A 35 -9.195 -11.372 1.232 1.00 0.00 C ATOM 548 O PRO A 35 -9.945 -10.454 0.903 1.00 0.00 O ATOM 549 CB PRO A 35 -10.282 -13.629 1.388 1.00 0.00 C ATOM 550 CG PRO A 35 -9.407 -14.413 2.304 1.00 0.00 C ATOM 551 CD PRO A 35 -8.123 -14.642 1.555 1.00 0.00 C ATOM 0 HA PRO A 35 -9.643 -12.556 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.999 -13.026 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.857 -14.284 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.226 -13.869 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.875 -15.359 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.264 -14.664 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.133 -15.592 1.020 1.00 0.00 H new ATOM 559 N GLU A 36 -8.244 -11.237 2.151 1.00 0.00 N ATOM 560 CA GLU A 36 -8.023 -9.971 2.840 1.00 0.00 C ATOM 561 C GLU A 36 -7.453 -8.924 1.887 1.00 0.00 C ATOM 562 O GLU A 36 -7.871 -7.766 1.898 1.00 0.00 O ATOM 563 CB GLU A 36 -7.075 -10.168 4.025 1.00 0.00 C ATOM 564 CG GLU A 36 -7.691 -10.951 5.173 1.00 0.00 C ATOM 565 CD GLU A 36 -8.847 -10.218 5.825 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.827 -8.969 5.838 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.773 -10.893 6.321 1.00 0.00 O ATOM 0 H GLU A 36 -7.615 -11.988 2.435 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.985 -9.615 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.180 -10.687 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.757 -9.192 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.039 -11.916 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.925 -11.153 5.922 1.00 0.00 H new ATOM 574 N ARG A 37 -6.495 -9.341 1.065 1.00 0.00 N ATOM 575 CA ARG A 37 -5.866 -8.440 0.107 1.00 0.00 C ATOM 576 C ARG A 37 -6.855 -8.020 -0.976 1.00 0.00 C ATOM 577 O ARG A 37 -6.880 -6.863 -1.393 1.00 0.00 O ATOM 578 CB ARG A 37 -4.648 -9.110 -0.531 1.00 0.00 C ATOM 579 CG ARG A 37 -3.887 -8.206 -1.487 1.00 0.00 C ATOM 580 CD ARG A 37 -2.410 -8.568 -1.539 1.00 0.00 C ATOM 581 NE ARG A 37 -1.820 -8.650 -0.206 1.00 0.00 N ATOM 582 CZ ARG A 37 -0.728 -9.354 0.073 1.00 0.00 C ATOM 583 NH1 ARG A 37 -0.111 -10.032 -0.885 1.00 0.00 N ATOM 584 NH2 ARG A 37 -0.252 -9.380 1.311 1.00 0.00 N ATOM 0 H ARG A 37 -6.138 -10.296 1.043 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.542 -7.548 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.972 -9.442 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.974 -10.001 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.318 -8.285 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.998 -7.168 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.289 -9.524 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.875 -7.823 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.271 -8.139 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.474 -10.014 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.727 -10.572 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.724 -8.859 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.586 -9.921 1.524 1.00 0.00 H new ATOM 598 N ALA A 38 -7.668 -8.970 -1.427 1.00 0.00 N ATOM 599 CA ALA A 38 -8.660 -8.699 -2.460 1.00 0.00 C ATOM 600 C ALA A 38 -9.701 -7.697 -1.972 1.00 0.00 C ATOM 601 O ALA A 38 -10.249 -6.925 -2.759 1.00 0.00 O ATOM 602 CB ALA A 38 -9.333 -9.991 -2.898 1.00 0.00 C ATOM 0 H ALA A 38 -7.659 -9.934 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.146 -8.262 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.071 -9.773 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.583 -10.675 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.827 -10.452 -2.043 1.00 0.00 H new ATOM 608 N GLU A 39 -9.970 -7.716 -0.670 1.00 0.00 N ATOM 609 CA GLU A 39 -10.947 -6.809 -0.079 1.00 0.00 C ATOM 610 C GLU A 39 -10.579 -5.355 -0.359 1.00 0.00 C ATOM 611 O GLU A 39 -11.431 -4.548 -0.733 1.00 0.00 O ATOM 612 CB GLU A 39 -11.043 -7.041 1.430 1.00 0.00 C ATOM 613 CG GLU A 39 -12.221 -6.335 2.081 1.00 0.00 C ATOM 614 CD GLU A 39 -12.066 -6.206 3.583 1.00 0.00 C ATOM 615 OE1 GLU A 39 -12.394 -7.175 4.300 1.00 0.00 O ATOM 616 OE2 GLU A 39 -11.616 -5.135 4.043 1.00 0.00 O ATOM 0 H GLU A 39 -9.525 -8.349 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.916 -7.014 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.122 -8.111 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.121 -6.700 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.331 -5.342 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.136 -6.884 1.860 1.00 0.00 H new ATOM 623 N LEU A 40 -9.305 -5.028 -0.175 1.00 0.00 N ATOM 624 CA LEU A 40 -8.822 -3.671 -0.407 1.00 0.00 C ATOM 625 C LEU A 40 -8.972 -3.283 -1.874 1.00 0.00 C ATOM 626 O LEU A 40 -9.260 -2.130 -2.195 1.00 0.00 O ATOM 627 CB LEU A 40 -7.357 -3.550 0.018 1.00 0.00 C ATOM 628 CG LEU A 40 -7.009 -4.115 1.395 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.609 -3.688 1.809 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.032 -3.668 2.430 1.00 0.00 C ATOM 0 H LEU A 40 -8.588 -5.684 0.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.425 -2.990 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.741 -4.055 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.080 -2.496 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.033 -5.203 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.379 -4.100 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.886 -4.058 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.558 -2.600 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.768 -4.080 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.041 -2.579 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.021 -4.024 2.142 1.00 0.00 H new ATOM 642 N ALA A 41 -8.776 -4.253 -2.760 1.00 0.00 N ATOM 643 CA ALA A 41 -8.893 -4.014 -4.194 1.00 0.00 C ATOM 644 C ALA A 41 -10.352 -3.841 -4.604 1.00 0.00 C ATOM 645 O ALA A 41 -10.655 -3.148 -5.574 1.00 0.00 O ATOM 646 CB ALA A 41 -8.256 -5.155 -4.973 1.00 0.00 C ATOM 0 H ALA A 41 -8.535 -5.212 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.365 -3.090 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.351 -4.963 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.201 -5.231 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.759 -6.090 -4.726 1.00 0.00 H new ATOM 652 N ALA A 42 -11.251 -4.475 -3.858 1.00 0.00 N ATOM 653 CA ALA A 42 -12.677 -4.390 -4.144 1.00 0.00 C ATOM 654 C ALA A 42 -13.280 -3.119 -3.554 1.00 0.00 C ATOM 655 O ALA A 42 -14.059 -2.428 -4.211 1.00 0.00 O ATOM 656 CB ALA A 42 -13.398 -5.617 -3.605 1.00 0.00 C ATOM 0 H ALA A 42 -11.016 -5.053 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.804 -4.354 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.463 -5.540 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.994 -6.513 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.255 -5.678 -2.526 1.00 0.00 H new ATOM 662 N SER A 43 -12.914 -2.817 -2.313 1.00 0.00 N ATOM 663 CA SER A 43 -13.423 -1.631 -1.633 1.00 0.00 C ATOM 664 C SER A 43 -12.795 -0.364 -2.208 1.00 0.00 C ATOM 665 O SER A 43 -13.496 0.534 -2.674 1.00 0.00 O ATOM 666 CB SER A 43 -13.141 -1.717 -0.132 1.00 0.00 C ATOM 667 OG SER A 43 -13.822 -2.814 0.452 1.00 0.00 O ATOM 0 H SER A 43 -12.267 -3.377 -1.757 1.00 0.00 H new ATOM 0 HA SER A 43 -14.501 -1.586 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.069 -1.820 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.452 -0.792 0.353 1.00 0.00 H new ATOM 0 HG SER A 43 -13.333 -3.642 0.262 1.00 0.00 H new ATOM 673 N LEU A 44 -11.468 -0.300 -2.171 1.00 0.00 N ATOM 674 CA LEU A 44 -10.744 0.855 -2.688 1.00 0.00 C ATOM 675 C LEU A 44 -10.877 0.948 -4.205 1.00 0.00 C ATOM 676 O LEU A 44 -10.545 1.969 -4.806 1.00 0.00 O ATOM 677 CB LEU A 44 -9.266 0.771 -2.299 1.00 0.00 C ATOM 678 CG LEU A 44 -8.976 0.447 -0.833 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.491 0.593 -0.539 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.794 1.344 0.084 1.00 0.00 C ATOM 0 H LEU A 44 -10.872 -1.034 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.180 1.752 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.790 0.011 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.793 1.723 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.263 -0.588 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.303 0.359 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.926 -0.092 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.179 1.617 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.574 1.099 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.539 2.387 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.856 1.190 -0.109 1.00 0.00 H new ATOM 692 N GLY A 45 -11.369 -0.124 -4.817 1.00 0.00 N ATOM 693 CA GLY A 45 -11.540 -0.142 -6.258 1.00 0.00 C ATOM 694 C GLY A 45 -10.237 -0.378 -6.995 1.00 0.00 C ATOM 695 O GLY A 45 -10.094 0.002 -8.157 1.00 0.00 O ATOM 0 H GLY A 45 -11.652 -0.980 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.252 -0.923 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.970 0.806 -6.581 1.00 0.00 H new ATOM 699 N LEU A 46 -9.282 -1.006 -6.317 1.00 0.00 N ATOM 700 CA LEU A 46 -7.982 -1.292 -6.913 1.00 0.00 C ATOM 701 C LEU A 46 -7.849 -2.774 -7.246 1.00 0.00 C ATOM 702 O LEU A 46 -8.752 -3.566 -6.976 1.00 0.00 O ATOM 703 CB LEU A 46 -6.859 -0.868 -5.964 1.00 0.00 C ATOM 704 CG LEU A 46 -6.926 0.568 -5.444 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.300 0.665 -4.062 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.236 1.518 -6.412 1.00 0.00 C ATOM 0 H LEU A 46 -9.384 -1.327 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.902 -0.722 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.859 -1.543 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.907 -1.003 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.974 0.858 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.357 1.694 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.838 0.014 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.256 0.356 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.293 2.536 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.191 1.230 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.729 1.470 -7.383 1.00 0.00 H new ATOM 718 N THR A 47 -6.715 -3.145 -7.834 1.00 0.00 N ATOM 719 CA THR A 47 -6.463 -4.532 -8.203 1.00 0.00 C ATOM 720 C THR A 47 -5.416 -5.161 -7.292 1.00 0.00 C ATOM 721 O THR A 47 -4.624 -4.459 -6.664 1.00 0.00 O ATOM 722 CB THR A 47 -5.992 -4.647 -9.665 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.725 -6.017 -9.987 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.741 -3.813 -9.898 1.00 0.00 C ATOM 0 H THR A 47 -5.957 -2.503 -8.065 1.00 0.00 H new ATOM 0 HA THR A 47 -7.406 -5.066 -8.090 1.00 0.00 H new ATOM 0 HB THR A 47 -6.786 -4.270 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.428 -6.082 -10.919 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.427 -3.910 -10.937 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.955 -2.767 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.943 -4.164 -9.244 1.00 0.00 H new ATOM 732 N GLN A 48 -5.417 -6.489 -7.226 1.00 0.00 N ATOM 733 CA GLN A 48 -4.465 -7.213 -6.391 1.00 0.00 C ATOM 734 C GLN A 48 -3.032 -6.821 -6.735 1.00 0.00 C ATOM 735 O GLN A 48 -2.145 -6.856 -5.881 1.00 0.00 O ATOM 736 CB GLN A 48 -4.649 -8.721 -6.562 1.00 0.00 C ATOM 737 CG GLN A 48 -5.945 -9.248 -5.967 1.00 0.00 C ATOM 738 CD GLN A 48 -6.342 -10.596 -6.534 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.553 -11.254 -7.214 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.571 -11.017 -6.257 1.00 0.00 N ATOM 0 H GLN A 48 -6.066 -7.085 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.655 -6.947 -5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.622 -8.964 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.809 -9.236 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.836 -9.331 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.744 -8.530 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.192 -10.440 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.894 -11.917 -6.611 1.00 0.00 H new ATOM 749 N THR A 49 -2.810 -6.447 -7.991 1.00 0.00 N ATOM 750 CA THR A 49 -1.485 -6.050 -8.448 1.00 0.00 C ATOM 751 C THR A 49 -1.107 -4.674 -7.912 1.00 0.00 C ATOM 752 O THR A 49 0.063 -4.294 -7.920 1.00 0.00 O ATOM 753 CB THR A 49 -1.404 -6.028 -9.986 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.969 -7.230 -10.523 1.00 0.00 O ATOM 755 CG2 THR A 49 0.039 -5.889 -10.450 1.00 0.00 C ATOM 0 H THR A 49 -3.532 -6.411 -8.710 1.00 0.00 H new ATOM 0 HA THR A 49 -0.784 -6.792 -8.065 1.00 0.00 H new ATOM 0 HB THR A 49 -1.969 -5.168 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.915 -7.208 -11.501 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.071 -5.876 -11.539 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.458 -4.960 -10.063 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.623 -6.732 -10.080 1.00 0.00 H new ATOM 763 N GLN A 50 -2.106 -3.931 -7.445 1.00 0.00 N ATOM 764 CA GLN A 50 -1.878 -2.597 -6.904 1.00 0.00 C ATOM 765 C GLN A 50 -1.689 -2.647 -5.392 1.00 0.00 C ATOM 766 O GLN A 50 -0.743 -2.071 -4.854 1.00 0.00 O ATOM 767 CB GLN A 50 -3.047 -1.674 -7.254 1.00 0.00 C ATOM 768 CG GLN A 50 -2.989 -1.130 -8.673 1.00 0.00 C ATOM 769 CD GLN A 50 -3.629 0.239 -8.799 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.315 1.156 -8.040 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.532 0.384 -9.761 1.00 0.00 N ATOM 0 H GLN A 50 -3.081 -4.231 -7.431 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.966 -2.202 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.982 -2.219 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.062 -0.839 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.949 -1.072 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.491 -1.825 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.762 -0.403 -10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.996 1.283 -9.894 1.00 0.00 H new ATOM 780 N VAL A 51 -2.596 -3.339 -4.710 1.00 0.00 N ATOM 781 CA VAL A 51 -2.530 -3.465 -3.259 1.00 0.00 C ATOM 782 C VAL A 51 -1.345 -4.326 -2.836 1.00 0.00 C ATOM 783 O VAL A 51 -0.844 -4.207 -1.718 1.00 0.00 O ATOM 784 CB VAL A 51 -3.824 -4.075 -2.689 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.604 -4.555 -1.262 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.961 -3.067 -2.752 1.00 0.00 C ATOM 0 H VAL A 51 -3.386 -3.821 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.405 -2.459 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.099 -4.936 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.529 -4.983 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.821 -5.313 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.305 -3.714 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.867 -3.515 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.698 -2.185 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.133 -2.777 -3.789 1.00 0.00 H new ATOM 796 N LYS A 52 -0.900 -5.195 -3.738 1.00 0.00 N ATOM 797 CA LYS A 52 0.227 -6.076 -3.461 1.00 0.00 C ATOM 798 C LYS A 52 1.528 -5.284 -3.371 1.00 0.00 C ATOM 799 O LYS A 52 2.312 -5.464 -2.438 1.00 0.00 O ATOM 800 CB LYS A 52 0.344 -7.146 -4.548 1.00 0.00 C ATOM 801 CG LYS A 52 -0.482 -8.390 -4.269 1.00 0.00 C ATOM 802 CD LYS A 52 -0.490 -9.334 -5.460 1.00 0.00 C ATOM 803 CE LYS A 52 0.896 -9.896 -5.735 1.00 0.00 C ATOM 804 NZ LYS A 52 1.323 -10.859 -4.681 1.00 0.00 N ATOM 0 H LYS A 52 -1.304 -5.307 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 52 0.049 -6.560 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.032 -6.719 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.391 -7.431 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.080 -8.906 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.505 -8.102 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.185 -10.152 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.851 -8.805 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.900 -10.393 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.615 -9.078 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.200 -11.333 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.491 -10.348 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.577 -11.569 -4.537 1.00 0.00 H new ATOM 818 N ILE A 53 1.750 -4.407 -4.344 1.00 0.00 N ATOM 819 CA ILE A 53 2.954 -3.587 -4.372 1.00 0.00 C ATOM 820 C ILE A 53 2.943 -2.556 -3.247 1.00 0.00 C ATOM 821 O ILE A 53 3.944 -2.368 -2.555 1.00 0.00 O ATOM 822 CB ILE A 53 3.107 -2.857 -5.719 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.067 -3.860 -6.874 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.403 -2.061 -5.747 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.983 -3.209 -8.237 1.00 0.00 C ATOM 0 H ILE A 53 1.112 -4.246 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 53 3.799 -4.262 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 53 2.275 -2.163 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.959 -4.485 -6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.210 -4.520 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.496 -1.551 -6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.395 -1.325 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.248 -2.736 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.958 -3.980 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.077 -2.607 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.853 -2.571 -8.390 1.00 0.00 H new ATOM 837 N TRP A 54 1.806 -1.894 -3.070 1.00 0.00 N ATOM 838 CA TRP A 54 1.664 -0.884 -2.028 1.00 0.00 C ATOM 839 C TRP A 54 2.127 -1.424 -0.679 1.00 0.00 C ATOM 840 O TRP A 54 2.764 -0.714 0.099 1.00 0.00 O ATOM 841 CB TRP A 54 0.210 -0.420 -1.933 1.00 0.00 C ATOM 842 CG TRP A 54 0.019 0.752 -1.019 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.137 2.059 -1.383 1.00 0.00 C ATOM 844 CD2 TRP A 54 -0.035 0.723 0.412 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.284 2.845 -0.265 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.226 2.049 0.848 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.058 -0.293 1.366 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.325 2.381 2.197 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.040 0.038 2.704 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.230 1.366 3.109 1.00 0.00 C ATOM 0 H TRP A 54 0.969 -2.038 -3.634 1.00 0.00 H new ATOM 0 HA TRP A 54 2.293 -0.034 -2.293 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.146 -0.156 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.406 -1.248 -1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.144 2.422 -2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.415 3.857 -0.264 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.204 -1.319 1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.472 3.404 2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.031 -0.740 3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.303 1.593 4.162 1.00 0.00 H new ATOM 861 N PHE A 55 1.803 -2.684 -0.409 1.00 0.00 N ATOM 862 CA PHE A 55 2.185 -3.319 0.847 1.00 0.00 C ATOM 863 C PHE A 55 3.659 -3.716 0.829 1.00 0.00 C ATOM 864 O PHE A 55 4.380 -3.506 1.803 1.00 0.00 O ATOM 865 CB PHE A 55 1.317 -4.552 1.105 1.00 0.00 C ATOM 866 CG PHE A 55 0.067 -4.252 1.883 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.985 -3.570 1.293 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.056 -4.653 3.203 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.135 -3.292 2.007 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.204 -4.379 3.922 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.246 -3.698 3.322 1.00 0.00 C ATOM 0 H PHE A 55 1.277 -3.286 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 55 2.030 -2.599 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.042 -5.000 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.904 -5.293 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.905 -3.252 0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.755 -5.186 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.947 -2.757 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.287 -4.697 4.951 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.145 -3.484 3.880 1.00 0.00 H new ATOM 881 N GLN A 56 4.097 -4.292 -0.286 1.00 0.00 N ATOM 882 CA GLN A 56 5.483 -4.720 -0.431 1.00 0.00 C ATOM 883 C GLN A 56 6.436 -3.540 -0.271 1.00 0.00 C ATOM 884 O GLN A 56 7.294 -3.538 0.611 1.00 0.00 O ATOM 885 CB GLN A 56 5.695 -5.381 -1.794 1.00 0.00 C ATOM 886 CG GLN A 56 6.835 -6.387 -1.811 1.00 0.00 C ATOM 887 CD GLN A 56 6.699 -7.404 -2.927 1.00 0.00 C ATOM 888 OE1 GLN A 56 5.631 -7.551 -3.522 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.784 -8.112 -3.218 1.00 0.00 N ATOM 0 H GLN A 56 3.512 -4.473 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 56 5.697 -5.446 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.774 -5.882 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.892 -4.608 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.781 -5.857 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.870 -6.907 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.648 -7.957 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.753 -8.811 -3.961 1.00 0.00 H new ATOM 898 N ASN A 57 6.280 -2.538 -1.131 1.00 0.00 N ATOM 899 CA ASN A 57 7.128 -1.353 -1.085 1.00 0.00 C ATOM 900 C ASN A 57 7.173 -0.770 0.324 1.00 0.00 C ATOM 901 O ASN A 57 8.234 -0.697 0.944 1.00 0.00 O ATOM 902 CB ASN A 57 6.618 -0.298 -2.069 1.00 0.00 C ATOM 903 CG ASN A 57 7.217 -0.460 -3.453 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.892 0.437 -3.958 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.971 -1.608 -4.073 1.00 0.00 N ATOM 0 H ASN A 57 5.574 -2.524 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 57 8.138 -1.648 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.532 -0.363 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.855 0.695 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.347 -1.774 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.406 -2.324 -3.616 1.00 0.00 H new ATOM 912 N LYS A 58 6.014 -0.357 0.825 1.00 0.00 N ATOM 913 CA LYS A 58 5.919 0.218 2.162 1.00 0.00 C ATOM 914 C LYS A 58 6.885 -0.472 3.120 1.00 0.00 C ATOM 915 O LYS A 58 7.632 0.187 3.844 1.00 0.00 O ATOM 916 CB LYS A 58 4.488 0.098 2.690 1.00 0.00 C ATOM 917 CG LYS A 58 4.096 1.214 3.643 1.00 0.00 C ATOM 918 CD LYS A 58 3.490 2.394 2.902 1.00 0.00 C ATOM 919 CE LYS A 58 2.475 3.131 3.762 1.00 0.00 C ATOM 920 NZ LYS A 58 3.125 3.855 4.890 1.00 0.00 N ATOM 0 H LYS A 58 5.126 -0.410 0.325 1.00 0.00 H new ATOM 0 HA LYS A 58 6.189 1.272 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.798 0.093 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.377 -0.859 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.380 0.836 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.974 1.544 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.281 3.081 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.009 2.043 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.923 3.840 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.749 2.420 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.400 4.344 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.631 3.175 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.799 4.551 4.513 1.00 0.00 H new ATOM 934 N ARG A 59 6.866 -1.800 3.119 1.00 0.00 N ATOM 935 CA ARG A 59 7.740 -2.578 3.988 1.00 0.00 C ATOM 936 C ARG A 59 9.203 -2.209 3.758 1.00 0.00 C ATOM 937 O ARG A 59 9.965 -2.033 4.709 1.00 0.00 O ATOM 938 CB ARG A 59 7.536 -4.075 3.745 1.00 0.00 C ATOM 939 CG ARG A 59 6.463 -4.694 4.624 1.00 0.00 C ATOM 940 CD ARG A 59 6.648 -6.198 4.754 1.00 0.00 C ATOM 941 NE ARG A 59 7.947 -6.542 5.327 1.00 0.00 N ATOM 942 CZ ARG A 59 8.534 -7.721 5.161 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.942 -8.665 4.443 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.717 -7.959 5.714 1.00 0.00 N ATOM 0 H ARG A 59 6.254 -2.360 2.526 1.00 0.00 H new ATOM 0 HA ARG A 59 7.483 -2.347 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.272 -4.232 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.479 -4.594 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.492 -4.236 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.480 -4.482 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.856 -6.608 5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.551 -6.661 3.772 1.00 0.00 H new ATOM 0 HE ARG A 59 8.429 -5.838 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.033 -8.486 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.396 -9.570 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.176 -7.236 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.167 -8.865 5.586 1.00 0.00 H new