USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 28 SER OG : rot 180:sc= -0.0297 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 0.934 F(o=-13,f=-7.7) USER MOD Set 2.2: A 38 CYS SG : rot -79:sc= -8.6! USER MOD Set 3.1: A 9 SER OG : rot 15:sc= 0.828 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.47 X(o=0.36,f=0.69) USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= -1.03 (180deg=-2.4!) USER MOD Single : A 24 GLN : amide:sc= -4.95! C(o=-5!,f=-6.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.856 F(o=-1.8,f=-0.86) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= -1.09 (180deg=-1.43) USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.19 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 51 ASN : amide:sc= -1.77 X(o=-1.8,f=-2.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 152:sc= -0.257 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.352 -0.956 0.418 1.00 0.00 N ATOM 202 CA SER A 9 13.047 -2.238 0.516 1.00 0.00 C ATOM 203 C SER A 9 12.120 -3.374 0.073 1.00 0.00 C ATOM 204 O SER A 9 10.995 -3.119 -0.355 1.00 0.00 O ATOM 205 CB SER A 9 13.513 -2.451 1.960 1.00 0.00 C ATOM 206 OG SER A 9 13.258 -1.306 2.757 1.00 0.00 O ATOM 0 HA SER A 9 13.917 -2.234 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.002 -3.314 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.580 -2.674 1.971 1.00 0.00 H new ATOM 0 HG SER A 9 12.628 -0.717 2.291 1.00 0.00 H new ATOM 212 N PRO A 10 12.551 -4.651 0.180 1.00 0.00 N ATOM 213 CA PRO A 10 11.708 -5.787 -0.206 1.00 0.00 C ATOM 214 C PRO A 10 10.335 -5.693 0.446 1.00 0.00 C ATOM 215 O PRO A 10 9.351 -6.232 -0.058 1.00 0.00 O ATOM 216 CB PRO A 10 12.473 -7.013 0.314 1.00 0.00 C ATOM 217 CG PRO A 10 13.508 -6.463 1.236 1.00 0.00 C ATOM 218 CD PRO A 10 13.850 -5.106 0.696 1.00 0.00 C ATOM 0 HA PRO A 10 11.529 -5.827 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.807 -7.701 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.930 -7.569 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.128 -6.395 2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.388 -7.106 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.237 -4.444 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.606 -5.156 -0.087 1.00 0.00 H new ATOM 226 N GLN A 11 10.287 -4.981 1.568 1.00 0.00 N ATOM 227 CA GLN A 11 9.051 -4.777 2.307 1.00 0.00 C ATOM 228 C GLN A 11 7.936 -4.299 1.386 1.00 0.00 C ATOM 229 O GLN A 11 6.765 -4.489 1.680 1.00 0.00 O ATOM 230 CB GLN A 11 9.283 -3.765 3.428 1.00 0.00 C ATOM 231 CG GLN A 11 10.253 -4.257 4.491 1.00 0.00 C ATOM 232 CD GLN A 11 11.356 -3.259 4.789 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.506 -3.637 5.015 1.00 0.00 O ATOM 234 NE2 GLN A 11 11.013 -1.975 4.790 1.00 0.00 N ATOM 0 H GLN A 11 11.101 -4.532 1.987 1.00 0.00 H new ATOM 0 HA GLN A 11 8.744 -5.729 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.665 -2.839 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.328 -3.529 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.703 -4.468 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.698 -5.196 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.048 -1.705 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.714 -1.260 4.983 1.00 0.00 H new ATOM 243 N ALA A 12 8.296 -3.693 0.258 1.00 0.00 N ATOM 244 CA ALA A 12 7.290 -3.225 -0.689 1.00 0.00 C ATOM 245 C ALA A 12 6.254 -4.320 -0.932 1.00 0.00 C ATOM 246 O ALA A 12 5.055 -4.121 -0.724 1.00 0.00 O ATOM 247 CB ALA A 12 7.945 -2.810 -1.998 1.00 0.00 C ATOM 0 H ALA A 12 9.262 -3.517 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 12 6.787 -2.354 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.181 -2.463 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.656 -2.006 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.468 -3.663 -2.430 1.00 0.00 H new ATOM 253 N ARG A 13 6.739 -5.485 -1.348 1.00 0.00 N ATOM 254 CA ARG A 13 5.880 -6.632 -1.601 1.00 0.00 C ATOM 255 C ARG A 13 5.546 -7.352 -0.297 1.00 0.00 C ATOM 256 O ARG A 13 4.445 -7.875 -0.132 1.00 0.00 O ATOM 257 CB ARG A 13 6.565 -7.603 -2.567 1.00 0.00 C ATOM 258 CG ARG A 13 7.743 -8.342 -1.950 1.00 0.00 C ATOM 259 CD ARG A 13 8.825 -8.631 -2.977 1.00 0.00 C ATOM 260 NE ARG A 13 8.779 -10.012 -3.451 1.00 0.00 N ATOM 261 CZ ARG A 13 9.252 -11.049 -2.762 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.811 -10.865 -1.572 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.167 -12.273 -3.265 1.00 0.00 N ATOM 0 H ARG A 13 7.730 -5.658 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 13 4.954 -6.273 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.833 -8.331 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.910 -7.051 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.161 -7.747 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.397 -9.278 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.711 -7.954 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.803 -8.431 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 13 8.360 -10.193 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.880 -9.926 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.171 -11.663 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.739 -12.420 -4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.529 -13.067 -2.738 1.00 0.00 H new ATOM 277 N ALA A 14 6.511 -7.381 0.622 1.00 0.00 N ATOM 278 CA ALA A 14 6.327 -8.042 1.911 1.00 0.00 C ATOM 279 C ALA A 14 5.264 -7.337 2.744 1.00 0.00 C ATOM 280 O ALA A 14 4.289 -7.951 3.179 1.00 0.00 O ATOM 281 CB ALA A 14 7.647 -8.094 2.666 1.00 0.00 C ATOM 0 H ALA A 14 7.429 -6.954 0.496 1.00 0.00 H new ATOM 0 HA ALA A 14 5.985 -9.060 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.498 -8.589 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.379 -8.650 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.011 -7.080 2.833 1.00 0.00 H new ATOM 287 N PHE A 15 5.455 -6.041 2.957 1.00 0.00 N ATOM 288 CA PHE A 15 4.516 -5.244 3.725 1.00 0.00 C ATOM 289 C PHE A 15 3.113 -5.413 3.161 1.00 0.00 C ATOM 290 O PHE A 15 2.178 -5.723 3.892 1.00 0.00 O ATOM 291 CB PHE A 15 4.953 -3.763 3.743 1.00 0.00 C ATOM 292 CG PHE A 15 4.283 -2.873 2.721 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.930 -2.584 2.808 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.014 -2.318 1.679 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.318 -1.767 1.875 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.406 -1.499 0.746 1.00 0.00 C ATOM 297 CZ PHE A 15 3.057 -1.224 0.844 1.00 0.00 C ATOM 0 H PHE A 15 6.258 -5.520 2.605 1.00 0.00 H new ATOM 0 HA PHE A 15 4.507 -5.592 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.758 -3.357 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.031 -3.719 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.346 -3.002 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.070 -2.529 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.262 -1.554 1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.987 -1.074 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.581 -0.585 0.115 1.00 0.00 H new ATOM 307 N LEU A 16 2.981 -5.233 1.853 1.00 0.00 N ATOM 308 CA LEU A 16 1.690 -5.390 1.200 1.00 0.00 C ATOM 309 C LEU A 16 1.272 -6.854 1.208 1.00 0.00 C ATOM 310 O LEU A 16 0.083 -7.169 1.283 1.00 0.00 O ATOM 311 CB LEU A 16 1.740 -4.871 -0.235 1.00 0.00 C ATOM 312 CG LEU A 16 0.459 -5.097 -1.042 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.344 -3.807 -1.148 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.786 -5.647 -2.423 1.00 0.00 C ATOM 0 H LEU A 16 3.747 -4.980 1.228 1.00 0.00 H new ATOM 0 HA LEU A 16 0.955 -4.805 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.956 -3.803 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.569 -5.353 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.151 -5.833 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.250 -3.989 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.613 -3.463 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.256 -3.045 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.137 -5.801 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.419 -4.938 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.311 -6.597 -2.321 1.00 0.00 H new ATOM 326 N GLU A 17 2.256 -7.749 1.137 1.00 0.00 N ATOM 327 CA GLU A 17 1.982 -9.182 1.146 1.00 0.00 C ATOM 328 C GLU A 17 1.088 -9.535 2.320 1.00 0.00 C ATOM 329 O GLU A 17 0.006 -10.088 2.141 1.00 0.00 O ATOM 330 CB GLU A 17 3.287 -9.982 1.221 1.00 0.00 C ATOM 331 CG GLU A 17 3.644 -10.690 -0.077 1.00 0.00 C ATOM 332 CD GLU A 17 4.314 -12.030 0.155 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.157 -12.120 1.073 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.995 -12.988 -0.579 1.00 0.00 O ATOM 0 H GLU A 17 3.245 -7.507 1.073 1.00 0.00 H new ATOM 0 HA GLU A 17 1.471 -9.440 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.100 -9.309 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.205 -10.722 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.739 -10.838 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.306 -10.053 -0.663 1.00 0.00 H new ATOM 341 N GLN A 18 1.545 -9.196 3.516 1.00 0.00 N ATOM 342 CA GLN A 18 0.787 -9.462 4.728 1.00 0.00 C ATOM 343 C GLN A 18 -0.456 -8.577 4.793 1.00 0.00 C ATOM 344 O GLN A 18 -1.501 -9.002 5.282 1.00 0.00 O ATOM 345 CB GLN A 18 1.659 -9.264 5.975 1.00 0.00 C ATOM 346 CG GLN A 18 2.692 -8.151 5.848 1.00 0.00 C ATOM 347 CD GLN A 18 2.761 -7.276 7.085 1.00 0.00 C ATOM 348 OE1 GLN A 18 1.602 -6.852 7.577 1.00 0.00 O flip ATOM 349 NE2 GLN A 18 3.844 -6.985 7.593 1.00 0.00 N flip ATOM 0 H GLN A 18 2.441 -8.734 3.673 1.00 0.00 H new ATOM 0 HA GLN A 18 0.465 -10.503 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.012 -9.048 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.175 -10.199 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.672 -8.590 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.450 -7.533 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.710 -7.333 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.875 -6.396 8.425 1.00 0.00 H new ATOM 358 N VAL A 19 -0.348 -7.348 4.281 1.00 0.00 N ATOM 359 CA VAL A 19 -1.487 -6.431 4.276 1.00 0.00 C ATOM 360 C VAL A 19 -2.653 -7.050 3.513 1.00 0.00 C ATOM 361 O VAL A 19 -3.682 -7.387 4.098 1.00 0.00 O ATOM 362 CB VAL A 19 -1.128 -5.070 3.640 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.344 -4.157 3.579 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.005 -4.400 4.411 1.00 0.00 C ATOM 0 H VAL A 19 0.506 -6.970 3.870 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.769 -6.257 5.315 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.790 -5.256 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.063 -3.206 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.123 -4.628 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.719 -3.982 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.234 -3.443 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.319 -4.236 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.878 -5.040 4.398 1.00 0.00 H new ATOM 374 N PHE A 20 -2.476 -7.215 2.205 1.00 0.00 N ATOM 375 CA PHE A 20 -3.504 -7.814 1.364 1.00 0.00 C ATOM 376 C PHE A 20 -3.845 -9.229 1.840 1.00 0.00 C ATOM 377 O PHE A 20 -4.878 -9.784 1.472 1.00 0.00 O ATOM 378 CB PHE A 20 -3.031 -7.852 -0.090 1.00 0.00 C ATOM 379 CG PHE A 20 -4.116 -8.195 -1.071 1.00 0.00 C ATOM 380 CD1 PHE A 20 -5.278 -7.442 -1.133 1.00 0.00 C ATOM 381 CD2 PHE A 20 -3.972 -9.270 -1.934 1.00 0.00 C ATOM 382 CE1 PHE A 20 -6.276 -7.755 -2.037 1.00 0.00 C ATOM 383 CE2 PHE A 20 -4.966 -9.587 -2.840 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.120 -8.830 -2.891 1.00 0.00 C ATOM 0 H PHE A 20 -1.630 -6.942 1.706 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.404 -7.203 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.611 -6.881 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.227 -8.582 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.405 -6.601 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.073 -9.867 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.176 -7.160 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.841 -10.426 -3.508 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.899 -9.078 -3.597 1.00 0.00 H new ATOM 394 N ARG A 21 -2.966 -9.806 2.657 1.00 0.00 N ATOM 395 CA ARG A 21 -3.173 -11.152 3.183 1.00 0.00 C ATOM 396 C ARG A 21 -4.196 -11.147 4.311 1.00 0.00 C ATOM 397 O ARG A 21 -5.031 -12.045 4.414 1.00 0.00 O ATOM 398 CB ARG A 21 -1.851 -11.721 3.696 1.00 0.00 C ATOM 399 CG ARG A 21 -1.567 -13.134 3.220 1.00 0.00 C ATOM 400 CD ARG A 21 -0.138 -13.270 2.723 1.00 0.00 C ATOM 401 NE ARG A 21 0.473 -14.526 3.150 1.00 0.00 N ATOM 402 CZ ARG A 21 1.786 -14.711 3.270 1.00 0.00 C ATOM 403 NH1 ARG A 21 2.633 -13.727 2.989 1.00 0.00 N ATOM 404 NH2 ARG A 21 2.255 -15.884 3.672 1.00 0.00 N ATOM 0 H ARG A 21 -2.103 -9.361 2.969 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.552 -11.777 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.037 -11.070 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.860 -11.709 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.740 -13.837 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.259 -13.397 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.126 -13.213 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.456 -12.434 3.093 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.143 -15.309 3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.279 -12.822 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.638 -13.876 3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.610 -16.644 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.261 -16.027 3.764 1.00 0.00 H new ATOM 418 N ARG A 22 -4.113 -10.132 5.164 1.00 0.00 N ATOM 419 CA ARG A 22 -5.022 -10.009 6.296 1.00 0.00 C ATOM 420 C ARG A 22 -6.472 -9.944 5.829 1.00 0.00 C ATOM 421 O ARG A 22 -7.363 -10.520 6.453 1.00 0.00 O ATOM 422 CB ARG A 22 -4.680 -8.758 7.105 1.00 0.00 C ATOM 423 CG ARG A 22 -3.388 -8.880 7.896 1.00 0.00 C ATOM 424 CD ARG A 22 -3.475 -9.974 8.949 1.00 0.00 C ATOM 425 NE ARG A 22 -3.242 -9.458 10.296 1.00 0.00 N ATOM 426 CZ ARG A 22 -2.056 -9.043 10.736 1.00 0.00 C ATOM 427 NH1 ARG A 22 -0.995 -9.079 9.940 1.00 0.00 N ATOM 428 NH2 ARG A 22 -1.932 -8.590 11.977 1.00 0.00 N ATOM 0 H ARG A 22 -3.425 -9.382 5.092 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.905 -10.891 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.603 -7.907 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.499 -8.545 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.564 -9.094 7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.165 -7.928 8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.459 -10.442 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.743 -10.750 8.727 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.034 -9.413 10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.085 -9.426 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.089 -8.760 10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.745 -8.560 12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.024 -8.272 12.315 1.00 0.00 H new ATOM 442 N LYS A 23 -6.698 -9.244 4.726 1.00 0.00 N ATOM 443 CA LYS A 23 -8.037 -9.107 4.166 1.00 0.00 C ATOM 444 C LYS A 23 -7.967 -8.552 2.740 1.00 0.00 C ATOM 445 O LYS A 23 -7.097 -8.946 1.968 1.00 0.00 O ATOM 446 CB LYS A 23 -8.901 -8.220 5.069 1.00 0.00 C ATOM 447 CG LYS A 23 -8.433 -6.777 5.141 1.00 0.00 C ATOM 448 CD LYS A 23 -9.484 -5.860 5.758 1.00 0.00 C ATOM 449 CE LYS A 23 -10.878 -6.112 5.195 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.599 -7.179 5.943 1.00 0.00 N ATOM 0 H LYS A 23 -5.970 -8.761 4.200 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.502 -10.091 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.929 -8.241 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.909 -8.640 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.516 -6.723 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.190 -6.425 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.500 -6.005 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.206 -4.821 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.456 -5.189 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.799 -6.396 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.836 -7.957 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.992 -7.537 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.473 -6.788 6.349 1.00 0.00 H new ATOM 464 N GLN A 24 -8.877 -7.646 2.382 1.00 0.00 N ATOM 465 CA GLN A 24 -8.879 -7.076 1.040 1.00 0.00 C ATOM 466 C GLN A 24 -9.386 -5.640 1.048 1.00 0.00 C ATOM 467 O GLN A 24 -8.795 -4.757 0.426 1.00 0.00 O ATOM 468 CB GLN A 24 -9.747 -7.914 0.094 1.00 0.00 C ATOM 469 CG GLN A 24 -9.758 -9.404 0.410 1.00 0.00 C ATOM 470 CD GLN A 24 -8.499 -10.109 -0.054 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.968 -9.815 -1.125 1.00 0.00 O ATOM 472 NE2 GLN A 24 -8.016 -11.047 0.752 1.00 0.00 N ATOM 0 H GLN A 24 -9.613 -7.296 2.996 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.848 -7.082 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.770 -7.539 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.392 -7.773 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.872 -9.543 1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.624 -9.866 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.489 -11.258 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.172 -11.557 0.493 1.00 0.00 H new ATOM 481 N SER A 25 -10.497 -5.418 1.737 1.00 0.00 N ATOM 482 CA SER A 25 -11.103 -4.093 1.802 1.00 0.00 C ATOM 483 C SER A 25 -10.641 -3.304 3.022 1.00 0.00 C ATOM 484 O SER A 25 -11.373 -3.177 4.004 1.00 0.00 O ATOM 485 CB SER A 25 -12.628 -4.213 1.812 1.00 0.00 C ATOM 486 OG SER A 25 -13.240 -2.941 1.680 1.00 0.00 O ATOM 0 H SER A 25 -10.998 -6.137 2.259 1.00 0.00 H new ATOM 0 HA SER A 25 -10.779 -3.547 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.950 -4.862 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.953 -4.682 2.741 1.00 0.00 H new ATOM 0 HG SER A 25 -14.214 -3.044 1.688 1.00 0.00 H new ATOM 492 N LEU A 26 -9.436 -2.747 2.948 1.00 0.00 N ATOM 493 CA LEU A 26 -8.906 -1.942 4.043 1.00 0.00 C ATOM 494 C LEU A 26 -9.607 -0.587 4.071 1.00 0.00 C ATOM 495 O LEU A 26 -9.572 0.157 3.090 1.00 0.00 O ATOM 496 CB LEU A 26 -7.391 -1.740 3.899 1.00 0.00 C ATOM 497 CG LEU A 26 -6.563 -3.004 3.629 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.128 -2.814 4.104 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.185 -4.218 4.300 1.00 0.00 C ATOM 0 H LEU A 26 -8.812 -2.837 2.147 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.092 -2.471 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.215 -1.035 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.019 -1.275 4.812 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.555 -3.177 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.556 -3.720 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.677 -1.976 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.123 -2.610 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.578 -5.099 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.231 -4.055 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.192 -4.372 3.913 1.00 0.00 H new ATOM 511 N ASN A 27 -10.247 -0.271 5.190 1.00 0.00 N ATOM 512 CA ASN A 27 -10.959 1.001 5.324 1.00 0.00 C ATOM 513 C ASN A 27 -10.042 2.080 5.887 1.00 0.00 C ATOM 514 O ASN A 27 -8.889 1.815 6.216 1.00 0.00 O ATOM 515 CB ASN A 27 -12.207 0.862 6.212 1.00 0.00 C ATOM 516 CG ASN A 27 -12.380 -0.525 6.804 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.859 -0.721 8.011 1.00 0.00 O flip ATOM 518 ND2 ASN A 27 -12.973 -1.409 6.186 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.290 -0.871 6.014 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.282 1.294 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.149 1.589 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.091 1.110 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.358 -1.215 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.080 -2.336 6.598 1.00 0.00 H new ATOM 525 N SER A 28 -10.563 3.298 5.996 1.00 0.00 N ATOM 526 CA SER A 28 -9.792 4.423 6.522 1.00 0.00 C ATOM 527 C SER A 28 -9.087 4.045 7.823 1.00 0.00 C ATOM 528 O SER A 28 -8.035 4.590 8.154 1.00 0.00 O ATOM 529 CB SER A 28 -10.704 5.630 6.753 1.00 0.00 C ATOM 530 OG SER A 28 -10.634 6.536 5.665 1.00 0.00 O ATOM 0 H SER A 28 -11.518 3.533 5.727 1.00 0.00 H new ATOM 0 HA SER A 28 -9.033 4.685 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.732 5.293 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.415 6.138 7.673 1.00 0.00 H new ATOM 0 HG SER A 28 -11.226 7.298 5.835 1.00 0.00 H new ATOM 536 N LYS A 29 -9.675 3.104 8.553 1.00 0.00 N ATOM 537 CA LYS A 29 -9.107 2.645 9.809 1.00 0.00 C ATOM 538 C LYS A 29 -7.959 1.679 9.557 1.00 0.00 C ATOM 539 O LYS A 29 -6.879 1.818 10.125 1.00 0.00 O ATOM 540 CB LYS A 29 -10.184 1.960 10.645 1.00 0.00 C ATOM 541 CG LYS A 29 -11.202 2.920 11.241 1.00 0.00 C ATOM 542 CD LYS A 29 -10.524 4.065 11.978 1.00 0.00 C ATOM 543 CE LYS A 29 -10.572 5.351 11.170 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.604 6.555 12.045 1.00 0.00 N ATOM 0 H LYS A 29 -10.548 2.645 8.293 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.722 3.509 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.705 1.232 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.706 1.405 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.834 3.320 10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.855 2.380 11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.012 4.220 12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.487 3.802 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.702 5.401 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.454 5.344 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.636 7.411 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.448 6.520 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.750 6.575 12.639 1.00 0.00 H new ATOM 558 N GLU A 30 -8.202 0.707 8.690 1.00 0.00 N ATOM 559 CA GLU A 30 -7.193 -0.278 8.348 1.00 0.00 C ATOM 560 C GLU A 30 -6.107 0.366 7.513 1.00 0.00 C ATOM 561 O GLU A 30 -4.936 0.066 7.663 1.00 0.00 O ATOM 562 CB GLU A 30 -7.814 -1.444 7.578 1.00 0.00 C ATOM 563 CG GLU A 30 -8.907 -2.168 8.348 1.00 0.00 C ATOM 564 CD GLU A 30 -8.742 -3.675 8.326 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.954 -4.176 7.496 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.401 -4.356 9.140 1.00 0.00 O ATOM 0 H GLU A 30 -9.093 0.581 8.210 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.760 -0.663 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.227 -1.071 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.030 -2.156 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.907 -1.822 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.877 -1.907 7.925 1.00 0.00 H new ATOM 573 N LYS A 31 -6.507 1.268 6.636 1.00 0.00 N ATOM 574 CA LYS A 31 -5.560 1.962 5.786 1.00 0.00 C ATOM 575 C LYS A 31 -4.566 2.741 6.639 1.00 0.00 C ATOM 576 O LYS A 31 -3.394 2.859 6.295 1.00 0.00 O ATOM 577 CB LYS A 31 -6.312 2.887 4.828 1.00 0.00 C ATOM 578 CG LYS A 31 -6.480 4.306 5.339 1.00 0.00 C ATOM 579 CD LYS A 31 -7.126 5.198 4.296 1.00 0.00 C ATOM 580 CE LYS A 31 -7.467 6.566 4.864 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.130 7.437 3.853 1.00 0.00 N ATOM 0 H LYS A 31 -7.481 1.536 6.494 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.000 1.237 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.781 2.916 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.297 2.464 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.090 4.299 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.507 4.712 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.452 5.313 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.032 4.723 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.122 6.448 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.557 7.049 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.346 8.361 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.495 7.571 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.012 6.988 3.533 1.00 0.00 H new ATOM 595 N GLU A 32 -5.047 3.264 7.760 1.00 0.00 N ATOM 596 CA GLU A 32 -4.207 4.027 8.673 1.00 0.00 C ATOM 597 C GLU A 32 -3.570 3.106 9.712 1.00 0.00 C ATOM 598 O GLU A 32 -2.417 3.290 10.103 1.00 0.00 O ATOM 599 CB GLU A 32 -5.035 5.118 9.360 1.00 0.00 C ATOM 600 CG GLU A 32 -5.981 4.596 10.432 1.00 0.00 C ATOM 601 CD GLU A 32 -6.598 5.711 11.254 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.058 6.705 10.656 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.620 5.588 12.498 1.00 0.00 O ATOM 0 H GLU A 32 -6.018 3.173 8.059 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.409 4.500 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.358 5.844 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.615 5.649 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.774 4.015 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.439 3.919 11.092 1.00 0.00 H new ATOM 610 N GLU A 33 -4.337 2.113 10.151 1.00 0.00 N ATOM 611 CA GLU A 33 -3.872 1.152 11.139 1.00 0.00 C ATOM 612 C GLU A 33 -2.874 0.182 10.517 1.00 0.00 C ATOM 613 O GLU A 33 -1.915 -0.246 11.160 1.00 0.00 O ATOM 614 CB GLU A 33 -5.064 0.381 11.701 1.00 0.00 C ATOM 615 CG GLU A 33 -5.978 1.224 12.573 1.00 0.00 C ATOM 616 CD GLU A 33 -5.703 1.044 14.053 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.583 0.616 14.402 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.609 1.331 14.864 1.00 0.00 O ATOM 0 H GLU A 33 -5.293 1.954 9.833 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.373 1.690 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.643 -0.030 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.697 -0.464 12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.857 2.275 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.015 0.961 12.366 1.00 0.00 H new ATOM 625 N VAL A 34 -3.115 -0.151 9.257 1.00 0.00 N ATOM 626 CA VAL A 34 -2.258 -1.065 8.514 1.00 0.00 C ATOM 627 C VAL A 34 -1.021 -0.334 8.005 1.00 0.00 C ATOM 628 O VAL A 34 0.077 -0.887 7.992 1.00 0.00 O ATOM 629 CB VAL A 34 -3.023 -1.697 7.325 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.113 -2.561 6.464 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.202 -2.513 7.832 1.00 0.00 C ATOM 0 H VAL A 34 -3.908 0.203 8.722 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.949 -1.863 9.189 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.393 -0.884 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.687 -2.986 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.303 -1.951 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.696 -3.366 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.731 -2.952 6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.841 -3.307 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.880 -1.866 8.388 1.00 0.00 H new ATOM 641 N ALA A 35 -1.209 0.914 7.590 1.00 0.00 N ATOM 642 CA ALA A 35 -0.104 1.719 7.084 1.00 0.00 C ATOM 643 C ALA A 35 0.934 1.990 8.171 1.00 0.00 C ATOM 644 O ALA A 35 2.124 2.118 7.887 1.00 0.00 O ATOM 645 CB ALA A 35 -0.618 3.029 6.518 1.00 0.00 C ATOM 0 H ALA A 35 -2.112 1.388 7.594 1.00 0.00 H new ATOM 0 HA ALA A 35 0.380 1.152 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.220 3.618 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.311 2.826 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.133 3.586 7.301 1.00 0.00 H new ATOM 651 N LYS A 36 0.474 2.092 9.412 1.00 0.00 N ATOM 652 CA LYS A 36 1.364 2.367 10.536 1.00 0.00 C ATOM 653 C LYS A 36 1.952 1.087 11.128 1.00 0.00 C ATOM 654 O LYS A 36 2.961 1.132 11.833 1.00 0.00 O ATOM 655 CB LYS A 36 0.611 3.140 11.618 1.00 0.00 C ATOM 656 CG LYS A 36 -0.477 2.325 12.303 1.00 0.00 C ATOM 657 CD LYS A 36 -1.200 3.141 13.363 1.00 0.00 C ATOM 658 CE LYS A 36 -0.336 3.341 14.597 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.695 4.587 15.329 1.00 0.00 N ATOM 0 H LYS A 36 -0.508 1.989 9.667 1.00 0.00 H new ATOM 0 HA LYS A 36 2.192 2.968 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.322 3.484 12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.162 4.028 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.194 1.975 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.036 1.440 12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.477 4.111 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.125 2.637 13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.448 2.484 15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.713 3.382 14.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.083 4.687 16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.564 5.407 14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.689 4.538 15.632 1.00 0.00 H new ATOM 673 N LYS A 37 1.319 -0.049 10.855 1.00 0.00 N ATOM 674 CA LYS A 37 1.793 -1.325 11.384 1.00 0.00 C ATOM 675 C LYS A 37 2.534 -2.131 10.320 1.00 0.00 C ATOM 676 O LYS A 37 3.401 -2.944 10.640 1.00 0.00 O ATOM 677 CB LYS A 37 0.621 -2.138 11.939 1.00 0.00 C ATOM 678 CG LYS A 37 -0.296 -2.711 10.866 1.00 0.00 C ATOM 679 CD LYS A 37 -0.301 -4.231 10.887 1.00 0.00 C ATOM 680 CE LYS A 37 -1.276 -4.769 11.921 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.018 -4.203 13.274 1.00 0.00 N ATOM 0 H LYS A 37 0.482 -0.114 10.275 1.00 0.00 H new ATOM 0 HA LYS A 37 2.494 -1.110 12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.013 -2.956 12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.034 -1.504 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.310 -2.341 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.027 -2.361 9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.570 -4.609 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.702 -4.596 11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.295 -4.532 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.200 -5.856 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.599 -4.704 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.012 -4.317 13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.263 -3.192 13.280 1.00 0.00 H new ATOM 695 N CYS A 38 2.185 -1.908 9.059 1.00 0.00 N ATOM 696 CA CYS A 38 2.816 -2.624 7.958 1.00 0.00 C ATOM 697 C CYS A 38 3.944 -1.807 7.338 1.00 0.00 C ATOM 698 O CYS A 38 4.908 -2.365 6.816 1.00 0.00 O ATOM 699 CB CYS A 38 1.775 -2.980 6.898 1.00 0.00 C ATOM 700 SG CYS A 38 0.454 -4.051 7.511 1.00 0.00 S ATOM 0 H CYS A 38 1.470 -1.239 8.774 1.00 0.00 H new ATOM 0 HA CYS A 38 3.249 -3.542 8.356 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.336 -2.061 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.273 -3.473 6.063 1.00 0.00 H new ATOM 0 HG CYS A 38 0.880 -5.278 7.564 1.00 0.00 H new ATOM 706 N GLY A 39 3.825 -0.484 7.407 1.00 0.00 N ATOM 707 CA GLY A 39 4.858 0.374 6.853 1.00 0.00 C ATOM 708 C GLY A 39 4.379 1.211 5.684 1.00 0.00 C ATOM 709 O GLY A 39 5.180 1.632 4.848 1.00 0.00 O ATOM 0 H GLY A 39 3.038 0.006 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.230 1.035 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.697 -0.242 6.530 1.00 0.00 H new ATOM 713 N ILE A 40 3.078 1.468 5.628 1.00 0.00 N ATOM 714 CA ILE A 40 2.508 2.279 4.561 1.00 0.00 C ATOM 715 C ILE A 40 2.036 3.619 5.123 1.00 0.00 C ATOM 716 O ILE A 40 2.398 3.989 6.240 1.00 0.00 O ATOM 717 CB ILE A 40 1.327 1.573 3.847 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.207 0.108 4.274 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.494 1.652 2.336 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.083 -0.537 3.816 1.00 0.00 C ATOM 0 H ILE A 40 2.399 1.127 6.308 1.00 0.00 H new ATOM 0 HA ILE A 40 3.293 2.435 3.821 1.00 0.00 H new ATOM 0 HB ILE A 40 0.413 2.091 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.050 -0.453 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.273 0.045 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.656 1.151 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.521 2.697 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.425 1.164 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.109 -1.575 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.930 0.002 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.140 -0.504 2.728 1.00 0.00 H new ATOM 732 N THR A 41 1.234 4.342 4.353 1.00 0.00 N ATOM 733 CA THR A 41 0.727 5.638 4.792 1.00 0.00 C ATOM 734 C THR A 41 -0.683 5.876 4.251 1.00 0.00 C ATOM 735 O THR A 41 -1.045 5.355 3.197 1.00 0.00 O ATOM 736 CB THR A 41 1.667 6.759 4.333 1.00 0.00 C ATOM 737 OG1 THR A 41 2.810 6.226 3.687 1.00 0.00 O ATOM 738 CG2 THR A 41 2.156 7.635 5.466 1.00 0.00 C ATOM 0 H THR A 41 0.921 4.056 3.425 1.00 0.00 H new ATOM 0 HA THR A 41 0.683 5.640 5.881 1.00 0.00 H new ATOM 0 HB THR A 41 1.072 7.367 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.395 6.958 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.816 8.407 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.303 8.104 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.701 7.026 6.187 1.00 0.00 H new ATOM 746 N PRO A 42 -1.502 6.667 4.968 1.00 0.00 N ATOM 747 CA PRO A 42 -2.873 6.971 4.553 1.00 0.00 C ATOM 748 C PRO A 42 -2.954 7.368 3.083 1.00 0.00 C ATOM 749 O PRO A 42 -3.967 7.141 2.423 1.00 0.00 O ATOM 750 CB PRO A 42 -3.283 8.147 5.457 1.00 0.00 C ATOM 751 CG PRO A 42 -2.047 8.547 6.197 1.00 0.00 C ATOM 752 CD PRO A 42 -1.168 7.331 6.231 1.00 0.00 C ATOM 0 HA PRO A 42 -3.527 6.105 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.670 8.977 4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.073 7.852 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.545 9.376 5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.288 8.881 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.112 7.594 6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.383 6.698 7.092 1.00 0.00 H new ATOM 760 N LEU A 43 -1.875 7.953 2.575 1.00 0.00 N ATOM 761 CA LEU A 43 -1.812 8.376 1.181 1.00 0.00 C ATOM 762 C LEU A 43 -1.447 7.201 0.280 1.00 0.00 C ATOM 763 O LEU A 43 -1.847 7.145 -0.887 1.00 0.00 O ATOM 764 CB LEU A 43 -0.786 9.499 1.014 1.00 0.00 C ATOM 765 CG LEU A 43 -0.663 10.055 -0.404 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.027 10.472 -0.929 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.307 11.226 -0.435 1.00 0.00 C ATOM 0 H LEU A 43 -1.029 8.146 3.111 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.795 8.747 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.050 10.315 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.190 9.129 1.329 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.271 9.271 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.923 10.866 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.691 9.608 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.446 11.242 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.382 11.609 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.054 12.015 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.289 10.894 -0.099 1.00 0.00 H new ATOM 779 N GLN A 44 -0.695 6.255 0.832 1.00 0.00 N ATOM 780 CA GLN A 44 -0.288 5.077 0.084 1.00 0.00 C ATOM 781 C GLN A 44 -1.410 4.057 0.077 1.00 0.00 C ATOM 782 O GLN A 44 -1.906 3.673 -0.972 1.00 0.00 O ATOM 783 CB GLN A 44 0.972 4.456 0.688 1.00 0.00 C ATOM 784 CG GLN A 44 1.967 5.476 1.210 1.00 0.00 C ATOM 785 CD GLN A 44 2.523 6.363 0.113 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.787 5.904 -0.998 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.702 7.643 0.420 1.00 0.00 N ATOM 0 H GLN A 44 -0.357 6.283 1.794 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.067 5.380 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.684 3.793 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.460 3.840 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.483 6.097 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.789 4.957 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.470 7.981 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.072 8.288 -0.278 1.00 0.00 H new ATOM 796 N VAL A 45 -1.811 3.637 1.265 1.00 0.00 N ATOM 797 CA VAL A 45 -2.885 2.659 1.427 1.00 0.00 C ATOM 798 C VAL A 45 -3.989 2.827 0.387 1.00 0.00 C ATOM 799 O VAL A 45 -4.592 1.852 -0.046 1.00 0.00 O ATOM 800 CB VAL A 45 -3.497 2.777 2.823 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.484 2.349 3.864 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.960 4.202 3.080 1.00 0.00 C ATOM 0 H VAL A 45 -1.406 3.960 2.144 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.438 1.675 1.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.365 2.121 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.925 2.435 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.193 1.314 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.604 2.990 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.393 4.269 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.109 4.880 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.710 4.480 2.339 1.00 0.00 H new ATOM 812 N ARG A 46 -4.249 4.059 -0.023 1.00 0.00 N ATOM 813 CA ARG A 46 -5.279 4.310 -1.018 1.00 0.00 C ATOM 814 C ARG A 46 -4.737 4.082 -2.430 1.00 0.00 C ATOM 815 O ARG A 46 -5.280 3.278 -3.183 1.00 0.00 O ATOM 816 CB ARG A 46 -5.839 5.726 -0.879 1.00 0.00 C ATOM 817 CG ARG A 46 -4.797 6.785 -0.565 1.00 0.00 C ATOM 818 CD ARG A 46 -4.959 8.016 -1.444 1.00 0.00 C ATOM 819 NE ARG A 46 -6.365 8.363 -1.652 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.156 8.854 -0.700 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.683 9.068 0.522 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.424 9.133 -0.971 1.00 0.00 N ATOM 0 H ARG A 46 -3.767 4.892 0.314 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.092 3.605 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.346 5.996 -1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.592 5.730 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.877 7.074 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.800 6.367 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.442 8.859 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.484 7.837 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.763 8.220 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.708 8.856 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.294 9.444 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.793 8.971 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.030 9.509 -0.242 1.00 0.00 H new ATOM 836 N VAL A 47 -3.661 4.781 -2.783 1.00 0.00 N ATOM 837 CA VAL A 47 -3.056 4.635 -4.107 1.00 0.00 C ATOM 838 C VAL A 47 -2.383 3.273 -4.257 1.00 0.00 C ATOM 839 O VAL A 47 -2.500 2.610 -5.287 1.00 0.00 O ATOM 840 CB VAL A 47 -2.003 5.729 -4.355 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.629 7.109 -4.235 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.843 5.570 -3.381 1.00 0.00 C ATOM 0 H VAL A 47 -3.191 5.451 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.860 4.727 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.617 5.623 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.869 7.870 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.426 7.212 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.041 7.236 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.104 6.349 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.212 5.654 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.382 4.592 -3.521 1.00 0.00 H new ATOM 852 N TRP A 48 -1.670 2.878 -3.214 1.00 0.00 N ATOM 853 CA TRP A 48 -0.956 1.616 -3.185 1.00 0.00 C ATOM 854 C TRP A 48 -1.922 0.438 -3.303 1.00 0.00 C ATOM 855 O TRP A 48 -1.767 -0.410 -4.181 1.00 0.00 O ATOM 856 CB TRP A 48 -0.130 1.529 -1.899 1.00 0.00 C ATOM 857 CG TRP A 48 1.322 1.252 -2.142 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.307 2.179 -2.330 1.00 0.00 C ATOM 859 CD2 TRP A 48 1.954 -0.030 -2.224 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.514 1.552 -2.525 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.323 0.197 -2.464 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.499 -1.346 -2.119 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.238 -0.844 -2.598 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.408 -2.377 -2.254 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.764 -2.122 -2.491 1.00 0.00 C ATOM 0 H TRP A 48 -1.571 3.428 -2.361 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.282 1.567 -4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.227 2.466 -1.350 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.541 0.744 -1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.159 3.249 -2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.406 2.019 -2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.455 -1.554 -1.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.285 -0.649 -2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.067 -3.399 -2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.449 -2.951 -2.591 1.00 0.00 H new ATOM 876 N PHE A 49 -2.929 0.393 -2.431 1.00 0.00 N ATOM 877 CA PHE A 49 -3.915 -0.681 -2.471 1.00 0.00 C ATOM 878 C PHE A 49 -4.751 -0.601 -3.748 1.00 0.00 C ATOM 879 O PHE A 49 -5.360 -1.581 -4.158 1.00 0.00 O ATOM 880 CB PHE A 49 -4.847 -0.625 -1.256 1.00 0.00 C ATOM 881 CG PHE A 49 -4.162 -0.798 0.075 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.890 -1.344 0.166 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.804 -0.410 1.241 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.275 -1.498 1.397 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.194 -0.561 2.470 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.929 -1.104 2.549 1.00 0.00 C ATOM 0 H PHE A 49 -3.081 1.083 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.368 -1.624 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.368 0.333 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.606 -1.400 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.375 -1.652 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.795 0.016 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.285 -1.926 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.707 -0.254 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.450 -1.221 3.510 1.00 0.00 H new ATOM 896 N ILE A 50 -4.785 0.567 -4.379 1.00 0.00 N ATOM 897 CA ILE A 50 -5.556 0.725 -5.607 1.00 0.00 C ATOM 898 C ILE A 50 -5.045 -0.240 -6.679 1.00 0.00 C ATOM 899 O ILE A 50 -5.786 -1.091 -7.165 1.00 0.00 O ATOM 900 CB ILE A 50 -5.510 2.185 -6.127 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.720 2.965 -5.606 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.466 2.236 -7.651 1.00 0.00 C ATOM 903 CD1 ILE A 50 -8.041 2.468 -6.154 1.00 0.00 C ATOM 0 H ILE A 50 -4.296 1.406 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.596 0.489 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.596 2.646 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.741 2.903 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.602 4.018 -5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.434 3.275 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.577 1.716 -8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.355 1.754 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.854 3.066 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.040 2.555 -7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.181 1.424 -5.874 1.00 0.00 H new ATOM 915 N ASN A 51 -3.775 -0.103 -7.037 1.00 0.00 N ATOM 916 CA ASN A 51 -3.172 -0.966 -8.047 1.00 0.00 C ATOM 917 C ASN A 51 -2.936 -2.376 -7.507 1.00 0.00 C ATOM 918 O ASN A 51 -3.191 -3.365 -8.194 1.00 0.00 O ATOM 919 CB ASN A 51 -1.849 -0.369 -8.531 1.00 0.00 C ATOM 920 CG ASN A 51 -0.937 0.021 -7.385 1.00 0.00 C ATOM 921 OD1 ASN A 51 -0.220 -0.814 -6.835 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.961 1.297 -7.017 1.00 0.00 N ATOM 0 H ASN A 51 -3.143 0.595 -6.645 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.867 -1.034 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.339 -1.092 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.053 0.509 -9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.369 1.618 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.571 1.956 -7.501 1.00 0.00 H new ATOM 929 N LYS A 52 -2.437 -2.459 -6.277 1.00 0.00 N ATOM 930 CA LYS A 52 -2.152 -3.746 -5.645 1.00 0.00 C ATOM 931 C LYS A 52 -3.436 -4.487 -5.274 1.00 0.00 C ATOM 932 O LYS A 52 -3.487 -5.716 -5.314 1.00 0.00 O ATOM 933 CB LYS A 52 -1.294 -3.534 -4.393 1.00 0.00 C ATOM 934 CG LYS A 52 0.202 -3.463 -4.677 1.00 0.00 C ATOM 935 CD LYS A 52 0.684 -4.651 -5.497 1.00 0.00 C ATOM 936 CE LYS A 52 2.204 -4.729 -5.524 1.00 0.00 C ATOM 937 NZ LYS A 52 2.684 -5.945 -6.237 1.00 0.00 N ATOM 0 H LYS A 52 -2.221 -1.649 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.607 -4.358 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.605 -2.612 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.483 -4.347 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.426 -2.539 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.749 -3.427 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.279 -5.572 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.304 -4.570 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.605 -3.840 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.586 -4.732 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.724 -5.962 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.323 -6.794 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.341 -5.930 -7.219 1.00 0.00 H new ATOM 951 N ARG A 53 -4.462 -3.733 -4.906 1.00 0.00 N ATOM 952 CA ARG A 53 -5.743 -4.310 -4.518 1.00 0.00 C ATOM 953 C ARG A 53 -6.875 -3.756 -5.384 1.00 0.00 C ATOM 954 O ARG A 53 -7.996 -3.567 -4.915 1.00 0.00 O ATOM 955 CB ARG A 53 -6.018 -4.028 -3.034 1.00 0.00 C ATOM 956 CG ARG A 53 -7.372 -4.526 -2.547 1.00 0.00 C ATOM 957 CD ARG A 53 -8.253 -3.367 -2.102 1.00 0.00 C ATOM 958 NE ARG A 53 -9.619 -3.789 -1.803 1.00 0.00 N ATOM 959 CZ ARG A 53 -10.591 -2.948 -1.452 1.00 0.00 C ATOM 960 NH1 ARG A 53 -10.352 -1.645 -1.366 1.00 0.00 N ATOM 961 NH2 ARG A 53 -11.804 -3.412 -1.188 1.00 0.00 N ATOM 0 H ARG A 53 -4.432 -2.714 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.697 -5.388 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.235 -4.494 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.955 -2.954 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.868 -5.079 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.231 -5.220 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.818 -2.902 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.273 -2.608 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.841 -4.783 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.420 -1.283 -1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.100 -1.006 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.993 -4.412 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.549 -2.769 -0.919 1.00 0.00 H new ATOM 975 N MET A 54 -6.572 -3.494 -6.654 1.00 0.00 N ATOM 976 CA MET A 54 -7.565 -2.965 -7.585 1.00 0.00 C ATOM 977 C MET A 54 -8.774 -3.890 -7.675 1.00 0.00 C ATOM 978 O MET A 54 -8.871 -4.717 -8.582 1.00 0.00 O ATOM 979 CB MET A 54 -6.946 -2.781 -8.972 1.00 0.00 C ATOM 980 CG MET A 54 -7.452 -1.551 -9.706 1.00 0.00 C ATOM 981 SD MET A 54 -7.128 -1.618 -11.478 1.00 0.00 S ATOM 982 CE MET A 54 -8.106 -3.043 -11.947 1.00 0.00 C ATOM 0 H MET A 54 -5.648 -3.639 -7.061 1.00 0.00 H new ATOM 0 HA MET A 54 -7.898 -1.997 -7.211 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.863 -2.713 -8.871 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.156 -3.665 -9.574 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.525 -1.449 -9.540 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.979 -0.663 -9.287 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.423 -2.941 -12.985 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.507 -3.947 -11.837 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.984 -3.109 -11.305 1.00 0.00 H new