USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -95:sc= 0.0462 USER MOD Single : A 20 GLN : amide:sc= -0.0597 K(o=-0.06,f=-4.8!) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0.766 (180deg=0.633) USER MOD Single : A 29 GLN : amide:sc= 0.136 X(o=0.14,f=-0.087) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000882) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 32 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.12) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0205 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -128:sc= -0.0111 (180deg=-0.38) USER MOD Single : A 46 THR OG1 : rot -79:sc= 0.942 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.918 K(o=-0.92,f=-0.18) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 59 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 261 N PHE A 16 2.495 10.396 -4.304 1.00 61.21 N ATOM 262 CA PHE A 16 1.747 10.439 -3.018 1.00 1.23 C ATOM 263 C PHE A 16 2.231 11.579 -2.072 1.00 33.22 C ATOM 264 O PHE A 16 2.983 12.468 -2.481 1.00 1.33 O ATOM 265 CB PHE A 16 1.797 9.042 -2.319 1.00 34.34 C ATOM 266 CG PHE A 16 1.342 7.895 -3.223 1.00 75.23 C ATOM 267 CD1 PHE A 16 -0.009 7.671 -3.470 1.00 64.14 C ATOM 268 CD2 PHE A 16 2.265 7.064 -3.855 1.00 73.42 C ATOM 269 CE1 PHE A 16 -0.415 6.656 -4.314 1.00 52.43 C ATOM 270 CE2 PHE A 16 1.854 6.048 -4.693 1.00 62.53 C ATOM 271 CZ PHE A 16 0.518 5.844 -4.923 1.00 41.32 C ATOM 0 HA PHE A 16 0.709 10.674 -3.252 1.00 1.23 H new ATOM 0 HB2 PHE A 16 2.816 8.848 -1.983 1.00 34.34 H new ATOM 0 HB3 PHE A 16 1.167 9.066 -1.430 1.00 34.34 H new ATOM 0 HD1 PHE A 16 -0.749 8.299 -2.996 1.00 64.14 H new ATOM 0 HD2 PHE A 16 3.320 7.218 -3.686 1.00 73.42 H new ATOM 0 HE1 PHE A 16 -1.467 6.498 -4.498 1.00 52.43 H new ATOM 0 HE2 PHE A 16 2.586 5.412 -5.169 1.00 62.53 H new ATOM 0 HZ PHE A 16 0.197 5.049 -5.580 1.00 41.32 H new ATOM 281 N THR A 17 1.761 11.560 -0.811 1.00 24.04 N ATOM 282 CA THR A 17 2.122 12.584 0.213 1.00 63.53 C ATOM 283 C THR A 17 2.399 11.916 1.590 1.00 35.11 C ATOM 284 O THR A 17 2.271 10.696 1.710 1.00 62.01 O ATOM 285 CB THR A 17 1.001 13.691 0.307 1.00 35.03 C ATOM 286 OG1 THR A 17 1.360 14.719 1.251 1.00 44.52 O ATOM 287 CG2 THR A 17 -0.369 13.103 0.684 1.00 42.22 C ATOM 0 H THR A 17 1.123 10.843 -0.465 1.00 24.04 H new ATOM 0 HA THR A 17 3.044 13.077 -0.095 1.00 63.53 H new ATOM 0 HB THR A 17 0.920 14.129 -0.688 1.00 35.03 H new ATOM 0 HG1 THR A 17 0.649 15.392 1.288 1.00 44.52 H new ATOM 0 HG21 THR A 17 -1.107 13.904 0.736 1.00 42.22 H new ATOM 0 HG22 THR A 17 -0.674 12.378 -0.070 1.00 42.22 H new ATOM 0 HG23 THR A 17 -0.299 12.610 1.654 1.00 42.22 H new ATOM 295 N SER A 18 2.766 12.743 2.604 1.00 12.33 N ATOM 296 CA SER A 18 3.297 12.312 3.943 1.00 2.44 C ATOM 297 C SER A 18 2.597 11.067 4.556 1.00 5.21 C ATOM 298 O SER A 18 3.218 10.003 4.682 1.00 61.14 O ATOM 299 CB SER A 18 3.215 13.504 4.937 1.00 1.15 C ATOM 300 OG SER A 18 3.671 13.153 6.238 1.00 63.43 O ATOM 0 H SER A 18 2.702 13.757 2.519 1.00 12.33 H new ATOM 0 HA SER A 18 4.329 12.008 3.770 1.00 2.44 H new ATOM 0 HB2 SER A 18 3.811 14.333 4.557 1.00 1.15 H new ATOM 0 HB3 SER A 18 2.184 13.854 4.997 1.00 1.15 H new ATOM 0 HG SER A 18 3.604 13.932 6.829 1.00 63.43 H new ATOM 306 N TYR A 19 1.299 11.210 4.914 1.00 52.20 N ATOM 307 CA TYR A 19 0.512 10.140 5.588 1.00 11.43 C ATOM 308 C TYR A 19 0.392 8.879 4.700 1.00 14.21 C ATOM 309 O TYR A 19 0.524 7.756 5.193 1.00 53.32 O ATOM 310 CB TYR A 19 -0.898 10.667 5.978 1.00 63.44 C ATOM 311 CG TYR A 19 -1.787 9.665 6.737 1.00 65.25 C ATOM 312 CD1 TYR A 19 -1.619 9.446 8.110 1.00 21.05 C ATOM 313 CD2 TYR A 19 -2.781 8.923 6.085 1.00 24.04 C ATOM 314 CE1 TYR A 19 -2.409 8.541 8.794 1.00 43.15 C ATOM 315 CE2 TYR A 19 -3.564 8.016 6.769 1.00 51.53 C ATOM 316 CZ TYR A 19 -3.376 7.827 8.119 1.00 64.51 C ATOM 317 OH TYR A 19 -4.148 6.908 8.791 1.00 43.41 O ATOM 0 H TYR A 19 0.767 12.064 4.747 1.00 52.20 H new ATOM 0 HA TYR A 19 1.045 9.857 6.495 1.00 11.43 H new ATOM 0 HB2 TYR A 19 -0.777 11.559 6.593 1.00 63.44 H new ATOM 0 HB3 TYR A 19 -1.417 10.973 5.070 1.00 63.44 H new ATOM 0 HD1 TYR A 19 -0.858 9.995 8.645 1.00 21.05 H new ATOM 0 HD2 TYR A 19 -2.937 9.064 5.026 1.00 24.04 H new ATOM 0 HE1 TYR A 19 -2.269 8.394 9.855 1.00 43.15 H new ATOM 0 HE2 TYR A 19 -4.324 7.455 6.245 1.00 51.53 H new ATOM 0 HH TYR A 19 -3.757 6.015 8.688 1.00 43.41 H new ATOM 327 N GLN A 20 0.148 9.093 3.388 1.00 24.01 N ATOM 328 CA GLN A 20 -0.006 7.998 2.401 1.00 62.30 C ATOM 329 C GLN A 20 1.258 7.120 2.339 1.00 51.50 C ATOM 330 O GLN A 20 1.176 5.906 2.513 1.00 10.12 O ATOM 331 CB GLN A 20 -0.334 8.564 0.995 1.00 73.12 C ATOM 332 CG GLN A 20 -1.630 9.394 0.941 1.00 51.45 C ATOM 333 CD GLN A 20 -1.929 9.980 -0.439 1.00 62.00 C ATOM 334 OE1 GLN A 20 -1.034 10.271 -1.218 1.00 20.13 O ATOM 335 NE2 GLN A 20 -3.191 10.179 -0.744 1.00 72.32 N ATOM 0 H GLN A 20 0.052 10.025 2.984 1.00 24.01 H new ATOM 0 HA GLN A 20 -0.838 7.375 2.729 1.00 62.30 H new ATOM 0 HB2 GLN A 20 0.497 9.185 0.662 1.00 73.12 H new ATOM 0 HB3 GLN A 20 -0.415 7.736 0.291 1.00 73.12 H new ATOM 0 HG2 GLN A 20 -2.466 8.766 1.248 1.00 51.45 H new ATOM 0 HG3 GLN A 20 -1.560 10.207 1.664 1.00 51.45 H new ATOM 0 HE21 GLN A 20 -3.922 9.929 -0.078 1.00 72.32 H new ATOM 0 HE22 GLN A 20 -3.440 10.584 -1.647 1.00 72.32 H new ATOM 344 N LEU A 21 2.425 7.769 2.154 1.00 41.05 N ATOM 345 CA LEU A 21 3.731 7.087 2.050 1.00 2.41 C ATOM 346 C LEU A 21 4.051 6.262 3.316 1.00 75.33 C ATOM 347 O LEU A 21 4.499 5.129 3.195 1.00 71.21 O ATOM 348 CB LEU A 21 4.867 8.113 1.774 1.00 64.51 C ATOM 349 CG LEU A 21 4.851 8.781 0.362 1.00 64.15 C ATOM 350 CD1 LEU A 21 5.982 9.824 0.221 1.00 12.52 C ATOM 351 CD2 LEU A 21 4.924 7.710 -0.758 1.00 1.04 C ATOM 0 H LEU A 21 2.489 8.784 2.072 1.00 41.05 H new ATOM 0 HA LEU A 21 3.668 6.395 1.210 1.00 2.41 H new ATOM 0 HB2 LEU A 21 4.812 8.899 2.528 1.00 64.51 H new ATOM 0 HB3 LEU A 21 5.825 7.610 1.907 1.00 64.51 H new ATOM 0 HG LEU A 21 3.905 9.312 0.253 1.00 64.15 H new ATOM 0 HD11 LEU A 21 5.943 10.270 -0.773 1.00 12.52 H new ATOM 0 HD12 LEU A 21 5.855 10.602 0.974 1.00 12.52 H new ATOM 0 HD13 LEU A 21 6.946 9.336 0.362 1.00 12.52 H new ATOM 0 HD21 LEU A 21 4.911 8.200 -1.732 1.00 1.04 H new ATOM 0 HD22 LEU A 21 5.844 7.136 -0.653 1.00 1.04 H new ATOM 0 HD23 LEU A 21 4.068 7.041 -0.678 1.00 1.04 H new ATOM 363 N GLU A 22 3.786 6.837 4.513 1.00 63.02 N ATOM 364 CA GLU A 22 4.019 6.149 5.811 1.00 14.23 C ATOM 365 C GLU A 22 3.143 4.881 5.964 1.00 54.34 C ATOM 366 O GLU A 22 3.651 3.813 6.314 1.00 70.44 O ATOM 367 CB GLU A 22 3.776 7.123 7.002 1.00 32.04 C ATOM 368 CG GLU A 22 4.766 8.302 7.072 1.00 34.44 C ATOM 369 CD GLU A 22 6.236 7.851 7.200 1.00 23.05 C ATOM 370 OE1 GLU A 22 6.652 7.454 8.312 1.00 13.42 O ATOM 371 OE2 GLU A 22 6.982 7.886 6.197 1.00 44.32 O ATOM 0 H GLU A 22 3.409 7.780 4.609 1.00 63.02 H new ATOM 0 HA GLU A 22 5.061 5.830 5.822 1.00 14.23 H new ATOM 0 HB2 GLU A 22 2.763 7.519 6.931 1.00 32.04 H new ATOM 0 HB3 GLU A 22 3.834 6.560 7.934 1.00 32.04 H new ATOM 0 HG2 GLU A 22 4.657 8.914 6.177 1.00 34.44 H new ATOM 0 HG3 GLU A 22 4.510 8.933 7.923 1.00 34.44 H new ATOM 378 N GLU A 23 1.835 5.013 5.685 1.00 71.35 N ATOM 379 CA GLU A 23 0.872 3.886 5.766 1.00 11.30 C ATOM 380 C GLU A 23 1.260 2.732 4.815 1.00 52.24 C ATOM 381 O GLU A 23 1.355 1.581 5.239 1.00 52.44 O ATOM 382 CB GLU A 23 -0.556 4.387 5.447 1.00 52.44 C ATOM 383 CG GLU A 23 -1.147 5.367 6.476 1.00 3.12 C ATOM 384 CD GLU A 23 -1.497 4.708 7.820 1.00 72.52 C ATOM 385 OE1 GLU A 23 -0.609 4.578 8.691 1.00 12.15 O ATOM 386 OE2 GLU A 23 -2.665 4.296 8.009 1.00 22.15 O ATOM 0 H GLU A 23 1.411 5.895 5.398 1.00 71.35 H new ATOM 0 HA GLU A 23 0.899 3.496 6.783 1.00 11.30 H new ATOM 0 HB2 GLU A 23 -0.545 4.872 4.471 1.00 52.44 H new ATOM 0 HB3 GLU A 23 -1.218 3.525 5.367 1.00 52.44 H new ATOM 0 HG2 GLU A 23 -0.434 6.172 6.650 1.00 3.12 H new ATOM 0 HG3 GLU A 23 -2.045 5.822 6.059 1.00 3.12 H new ATOM 393 N LEU A 24 1.499 3.077 3.538 1.00 74.04 N ATOM 394 CA LEU A 24 1.947 2.121 2.494 1.00 35.13 C ATOM 395 C LEU A 24 3.284 1.419 2.895 1.00 62.13 C ATOM 396 O LEU A 24 3.453 0.213 2.682 1.00 33.44 O ATOM 397 CB LEU A 24 2.117 2.880 1.141 1.00 44.21 C ATOM 398 CG LEU A 24 0.824 3.532 0.524 1.00 4.15 C ATOM 399 CD1 LEU A 24 1.172 4.525 -0.611 1.00 20.33 C ATOM 400 CD2 LEU A 24 -0.179 2.465 0.033 1.00 44.14 C ATOM 0 H LEU A 24 1.388 4.030 3.193 1.00 74.04 H new ATOM 0 HA LEU A 24 1.190 1.344 2.388 1.00 35.13 H new ATOM 0 HB2 LEU A 24 2.859 3.666 1.284 1.00 44.21 H new ATOM 0 HB3 LEU A 24 2.528 2.183 0.410 1.00 44.21 H new ATOM 0 HG LEU A 24 0.342 4.094 1.324 1.00 4.15 H new ATOM 0 HD11 LEU A 24 0.254 4.955 -1.012 1.00 20.33 H new ATOM 0 HD12 LEU A 24 1.804 5.321 -0.217 1.00 20.33 H new ATOM 0 HD13 LEU A 24 1.704 3.999 -1.404 1.00 20.33 H new ATOM 0 HD21 LEU A 24 -1.057 2.957 -0.386 1.00 44.14 H new ATOM 0 HD22 LEU A 24 0.291 1.849 -0.733 1.00 44.14 H new ATOM 0 HD23 LEU A 24 -0.480 1.836 0.871 1.00 44.14 H new ATOM 412 N GLU A 25 4.208 2.210 3.489 1.00 25.11 N ATOM 413 CA GLU A 25 5.555 1.769 3.923 1.00 15.25 C ATOM 414 C GLU A 25 5.472 0.649 4.980 1.00 74.01 C ATOM 415 O GLU A 25 6.007 -0.446 4.780 1.00 50.12 O ATOM 416 CB GLU A 25 6.315 3.028 4.456 1.00 71.15 C ATOM 417 CG GLU A 25 7.852 2.961 4.471 1.00 73.42 C ATOM 418 CD GLU A 25 8.451 2.196 5.665 1.00 63.11 C ATOM 419 OE1 GLU A 25 8.439 2.732 6.793 1.00 35.21 O ATOM 420 OE2 GLU A 25 8.951 1.069 5.484 1.00 44.25 O ATOM 0 H GLU A 25 4.034 3.196 3.684 1.00 25.11 H new ATOM 0 HA GLU A 25 6.101 1.338 3.083 1.00 15.25 H new ATOM 0 HB2 GLU A 25 6.019 3.884 3.850 1.00 71.15 H new ATOM 0 HB3 GLU A 25 5.974 3.224 5.473 1.00 71.15 H new ATOM 0 HG2 GLU A 25 8.191 2.490 3.548 1.00 73.42 H new ATOM 0 HG3 GLU A 25 8.246 3.977 4.473 1.00 73.42 H new ATOM 427 N LYS A 26 4.756 0.938 6.081 1.00 55.10 N ATOM 428 CA LYS A 26 4.584 0.003 7.216 1.00 52.05 C ATOM 429 C LYS A 26 3.837 -1.288 6.789 1.00 70.15 C ATOM 430 O LYS A 26 4.221 -2.379 7.209 1.00 1.10 O ATOM 431 CB LYS A 26 3.865 0.704 8.420 1.00 71.54 C ATOM 432 CG LYS A 26 4.790 1.560 9.334 1.00 2.22 C ATOM 433 CD LYS A 26 5.524 2.706 8.594 1.00 13.40 C ATOM 434 CE LYS A 26 6.443 3.529 9.511 1.00 60.34 C ATOM 435 NZ LYS A 26 7.166 4.589 8.759 1.00 35.41 N ATOM 0 H LYS A 26 4.277 1.829 6.213 1.00 55.10 H new ATOM 0 HA LYS A 26 5.579 -0.295 7.547 1.00 52.05 H new ATOM 0 HB2 LYS A 26 3.074 1.344 8.028 1.00 71.54 H new ATOM 0 HB3 LYS A 26 3.384 -0.060 9.030 1.00 71.54 H new ATOM 0 HG2 LYS A 26 4.193 1.986 10.140 1.00 2.22 H new ATOM 0 HG3 LYS A 26 5.531 0.908 9.797 1.00 2.22 H new ATOM 0 HD2 LYS A 26 6.116 2.285 7.781 1.00 13.40 H new ATOM 0 HD3 LYS A 26 4.786 3.368 8.141 1.00 13.40 H new ATOM 0 HE2 LYS A 26 5.851 3.985 10.304 1.00 60.34 H new ATOM 0 HE3 LYS A 26 7.164 2.868 9.991 1.00 60.34 H new ATOM 0 HZ1 LYS A 26 7.930 4.975 9.350 1.00 35.41 H new ATOM 0 HZ2 LYS A 26 7.571 4.184 7.891 1.00 35.41 H new ATOM 0 HZ3 LYS A 26 6.503 5.351 8.509 1.00 35.41 H new ATOM 449 N VAL A 27 2.795 -1.160 5.930 1.00 3.12 N ATOM 450 CA VAL A 27 2.024 -2.332 5.419 1.00 14.41 C ATOM 451 C VAL A 27 2.882 -3.224 4.481 1.00 51.30 C ATOM 452 O VAL A 27 2.690 -4.435 4.440 1.00 44.04 O ATOM 453 CB VAL A 27 0.680 -1.903 4.708 1.00 74.21 C ATOM 454 CG1 VAL A 27 -0.111 -3.126 4.145 1.00 24.15 C ATOM 455 CG2 VAL A 27 -0.211 -1.090 5.675 1.00 70.32 C ATOM 0 H VAL A 27 2.467 -0.262 5.575 1.00 3.12 H new ATOM 0 HA VAL A 27 1.756 -2.925 6.294 1.00 14.41 H new ATOM 0 HB VAL A 27 0.955 -1.276 3.860 1.00 74.21 H new ATOM 0 HG11 VAL A 27 -1.026 -2.778 3.666 1.00 24.15 H new ATOM 0 HG12 VAL A 27 0.504 -3.652 3.414 1.00 24.15 H new ATOM 0 HG13 VAL A 27 -0.363 -3.803 4.961 1.00 24.15 H new ATOM 0 HG21 VAL A 27 -1.132 -0.804 5.167 1.00 70.32 H new ATOM 0 HG22 VAL A 27 -0.451 -1.699 6.547 1.00 70.32 H new ATOM 0 HG23 VAL A 27 0.321 -0.194 5.994 1.00 70.32 H new ATOM 465 N PHE A 28 3.844 -2.616 3.753 1.00 54.24 N ATOM 466 CA PHE A 28 4.808 -3.367 2.902 1.00 52.12 C ATOM 467 C PHE A 28 5.783 -4.205 3.774 1.00 72.11 C ATOM 468 O PHE A 28 6.207 -5.304 3.379 1.00 61.12 O ATOM 469 CB PHE A 28 5.577 -2.381 1.984 1.00 1.13 C ATOM 470 CG PHE A 28 6.527 -3.038 0.976 1.00 32.22 C ATOM 471 CD1 PHE A 28 6.031 -3.700 -0.153 1.00 2.41 C ATOM 472 CD2 PHE A 28 7.916 -2.991 1.150 1.00 71.32 C ATOM 473 CE1 PHE A 28 6.887 -4.289 -1.071 1.00 30.43 C ATOM 474 CE2 PHE A 28 8.768 -3.582 0.233 1.00 32.11 C ATOM 475 CZ PHE A 28 8.255 -4.230 -0.874 1.00 42.11 C ATOM 0 H PHE A 28 3.978 -1.605 3.734 1.00 54.24 H new ATOM 0 HA PHE A 28 4.255 -4.065 2.273 1.00 52.12 H new ATOM 0 HB2 PHE A 28 4.852 -1.778 1.437 1.00 1.13 H new ATOM 0 HB3 PHE A 28 6.152 -1.699 2.610 1.00 1.13 H new ATOM 0 HD1 PHE A 28 4.964 -3.753 -0.312 1.00 2.41 H new ATOM 0 HD2 PHE A 28 8.328 -2.487 2.012 1.00 71.32 H new ATOM 0 HE1 PHE A 28 6.487 -4.793 -1.938 1.00 30.43 H new ATOM 0 HE2 PHE A 28 9.837 -3.536 0.383 1.00 32.11 H new ATOM 0 HZ PHE A 28 8.923 -4.691 -1.587 1.00 42.11 H new ATOM 485 N GLN A 29 6.127 -3.669 4.964 1.00 5.25 N ATOM 486 CA GLN A 29 6.991 -4.366 5.950 1.00 1.22 C ATOM 487 C GLN A 29 6.215 -5.490 6.683 1.00 41.01 C ATOM 488 O GLN A 29 6.803 -6.502 7.082 1.00 12.24 O ATOM 489 CB GLN A 29 7.575 -3.361 6.984 1.00 71.13 C ATOM 490 CG GLN A 29 8.238 -2.113 6.366 1.00 21.53 C ATOM 491 CD GLN A 29 9.351 -2.415 5.354 1.00 75.22 C ATOM 492 OE1 GLN A 29 10.076 -3.401 5.466 1.00 12.52 O ATOM 493 NE2 GLN A 29 9.486 -1.574 4.345 1.00 50.44 N ATOM 0 H GLN A 29 5.818 -2.747 5.271 1.00 5.25 H new ATOM 0 HA GLN A 29 7.814 -4.820 5.399 1.00 1.22 H new ATOM 0 HB2 GLN A 29 6.774 -3.038 7.649 1.00 71.13 H new ATOM 0 HB3 GLN A 29 8.311 -3.880 7.599 1.00 71.13 H new ATOM 0 HG2 GLN A 29 7.470 -1.516 5.874 1.00 21.53 H new ATOM 0 HG3 GLN A 29 8.651 -1.502 7.169 1.00 21.53 H new ATOM 0 HE21 GLN A 29 8.873 -0.762 4.272 1.00 50.44 H new ATOM 0 HE22 GLN A 29 10.203 -1.736 3.638 1.00 50.44 H new ATOM 502 N LYS A 30 4.894 -5.287 6.874 1.00 41.34 N ATOM 503 CA LYS A 30 3.983 -6.315 7.434 1.00 72.23 C ATOM 504 C LYS A 30 3.833 -7.491 6.437 1.00 60.23 C ATOM 505 O LYS A 30 4.155 -8.645 6.748 1.00 55.54 O ATOM 506 CB LYS A 30 2.586 -5.694 7.738 1.00 52.51 C ATOM 507 CG LYS A 30 2.588 -4.559 8.788 1.00 61.34 C ATOM 508 CD LYS A 30 1.221 -3.832 8.882 1.00 42.31 C ATOM 509 CE LYS A 30 1.248 -2.617 9.828 1.00 40.23 C ATOM 510 NZ LYS A 30 1.568 -3.001 11.227 1.00 35.01 N ATOM 0 H LYS A 30 4.427 -4.409 6.646 1.00 41.34 H new ATOM 0 HA LYS A 30 4.410 -6.689 8.365 1.00 72.23 H new ATOM 0 HB2 LYS A 30 2.167 -5.308 6.809 1.00 52.51 H new ATOM 0 HB3 LYS A 30 1.921 -6.486 8.083 1.00 52.51 H new ATOM 0 HG2 LYS A 30 2.844 -4.972 9.764 1.00 61.34 H new ATOM 0 HG3 LYS A 30 3.363 -3.836 8.535 1.00 61.34 H new ATOM 0 HD2 LYS A 30 0.921 -3.504 7.887 1.00 42.31 H new ATOM 0 HD3 LYS A 30 0.464 -4.537 9.226 1.00 42.31 H new ATOM 0 HE2 LYS A 30 1.986 -1.898 9.472 1.00 40.23 H new ATOM 0 HE3 LYS A 30 0.279 -2.118 9.803 1.00 40.23 H new ATOM 0 HZ1 LYS A 30 1.558 -2.154 11.830 1.00 35.01 H new ATOM 0 HZ2 LYS A 30 0.859 -3.680 11.571 1.00 35.01 H new ATOM 0 HZ3 LYS A 30 2.511 -3.439 11.260 1.00 35.01 H new ATOM 524 N THR A 31 3.382 -7.154 5.217 1.00 22.54 N ATOM 525 CA THR A 31 3.117 -8.123 4.137 1.00 61.43 C ATOM 526 C THR A 31 3.503 -7.535 2.756 1.00 63.33 C ATOM 527 O THR A 31 3.181 -6.392 2.436 1.00 2.44 O ATOM 528 CB THR A 31 1.613 -8.577 4.125 1.00 42.34 C ATOM 529 OG1 THR A 31 1.390 -9.529 3.068 1.00 61.44 O ATOM 530 CG2 THR A 31 0.631 -7.396 3.976 1.00 3.41 C ATOM 0 H THR A 31 3.188 -6.189 4.949 1.00 22.54 H new ATOM 0 HA THR A 31 3.736 -8.999 4.332 1.00 61.43 H new ATOM 0 HB THR A 31 1.418 -9.039 5.093 1.00 42.34 H new ATOM 0 HG1 THR A 31 0.450 -9.806 3.071 1.00 61.44 H new ATOM 0 HG21 THR A 31 -0.392 -7.772 3.974 1.00 3.41 H new ATOM 0 HG22 THR A 31 0.763 -6.706 4.809 1.00 3.41 H new ATOM 0 HG23 THR A 31 0.828 -6.875 3.039 1.00 3.41 H new ATOM 538 N HIS A 32 4.220 -8.333 1.951 1.00 63.33 N ATOM 539 CA HIS A 32 4.577 -7.974 0.557 1.00 54.10 C ATOM 540 C HIS A 32 3.410 -8.295 -0.416 1.00 22.13 C ATOM 541 O HIS A 32 3.413 -7.858 -1.568 1.00 73.10 O ATOM 542 CB HIS A 32 5.878 -8.707 0.144 1.00 32.42 C ATOM 543 CG HIS A 32 7.064 -8.310 0.984 1.00 54.20 C ATOM 544 ND1 HIS A 32 7.305 -8.822 2.243 1.00 12.21 N ATOM 545 CD2 HIS A 32 8.057 -7.418 0.757 1.00 33.52 C ATOM 546 CE1 HIS A 32 8.380 -8.256 2.751 1.00 1.34 C ATOM 547 NE2 HIS A 32 8.855 -7.406 1.869 1.00 61.32 N ATOM 0 H HIS A 32 4.572 -9.246 2.241 1.00 63.33 H new ATOM 0 HA HIS A 32 4.755 -6.900 0.502 1.00 54.10 H new ATOM 0 HB2 HIS A 32 5.725 -9.783 0.226 1.00 32.42 H new ATOM 0 HB3 HIS A 32 6.093 -8.494 -0.903 1.00 32.42 H new ATOM 0 HD2 HIS A 32 8.194 -6.826 -0.136 1.00 33.52 H new ATOM 0 HE1 HIS A 32 8.799 -8.456 3.726 1.00 1.34 H new ATOM 0 HE2 HIS A 32 9.687 -6.829 1.993 1.00 61.32 H new ATOM 556 N TYR A 33 2.419 -9.070 0.077 1.00 13.33 N ATOM 557 CA TYR A 33 1.163 -9.383 -0.645 1.00 62.43 C ATOM 558 C TYR A 33 -0.066 -9.015 0.239 1.00 71.32 C ATOM 559 O TYR A 33 -0.581 -9.876 0.972 1.00 32.01 O ATOM 560 CB TYR A 33 1.113 -10.889 -1.039 1.00 71.43 C ATOM 561 CG TYR A 33 2.109 -11.305 -2.133 1.00 34.31 C ATOM 562 CD1 TYR A 33 3.437 -11.637 -1.827 1.00 53.44 C ATOM 563 CD2 TYR A 33 1.715 -11.386 -3.476 1.00 1.12 C ATOM 564 CE1 TYR A 33 4.321 -12.032 -2.816 1.00 32.32 C ATOM 565 CE2 TYR A 33 2.599 -11.778 -4.463 1.00 70.31 C ATOM 566 CZ TYR A 33 3.896 -12.102 -4.131 1.00 34.33 C ATOM 567 OH TYR A 33 4.771 -12.512 -5.115 1.00 21.25 O ATOM 0 H TYR A 33 2.468 -9.502 1.000 1.00 13.33 H new ATOM 0 HA TYR A 33 1.133 -8.790 -1.559 1.00 62.43 H new ATOM 0 HB2 TYR A 33 1.302 -11.489 -0.149 1.00 71.43 H new ATOM 0 HB3 TYR A 33 0.104 -11.128 -1.376 1.00 71.43 H new ATOM 0 HD1 TYR A 33 3.775 -11.584 -0.803 1.00 53.44 H new ATOM 0 HD2 TYR A 33 0.699 -11.137 -3.745 1.00 1.12 H new ATOM 0 HE1 TYR A 33 5.340 -12.285 -2.562 1.00 32.32 H new ATOM 0 HE2 TYR A 33 2.274 -11.830 -5.492 1.00 70.31 H new ATOM 0 HH TYR A 33 4.314 -12.506 -5.982 1.00 21.25 H new ATOM 577 N PRO A 34 -0.536 -7.723 0.225 1.00 74.12 N ATOM 578 CA PRO A 34 -1.750 -7.314 0.984 1.00 32.44 C ATOM 579 C PRO A 34 -3.048 -7.914 0.369 1.00 30.52 C ATOM 580 O PRO A 34 -3.291 -7.780 -0.837 1.00 12.44 O ATOM 581 CB PRO A 34 -1.725 -5.760 0.890 1.00 74.53 C ATOM 582 CG PRO A 34 -0.981 -5.474 -0.387 1.00 42.13 C ATOM 583 CD PRO A 34 0.072 -6.569 -0.503 1.00 13.14 C ATOM 0 HA PRO A 34 -1.747 -7.674 2.013 1.00 32.44 H new ATOM 0 HB2 PRO A 34 -2.733 -5.347 0.863 1.00 74.53 H new ATOM 0 HB3 PRO A 34 -1.222 -5.318 1.750 1.00 74.53 H new ATOM 0 HG2 PRO A 34 -1.655 -5.486 -1.244 1.00 42.13 H new ATOM 0 HG3 PRO A 34 -0.519 -4.487 -0.359 1.00 42.13 H new ATOM 0 HD2 PRO A 34 0.279 -6.817 -1.544 1.00 13.14 H new ATOM 0 HD3 PRO A 34 1.017 -6.265 -0.053 1.00 13.14 H new ATOM 591 N ASP A 35 -3.851 -8.603 1.201 1.00 30.42 N ATOM 592 CA ASP A 35 -5.163 -9.173 0.796 1.00 14.03 C ATOM 593 C ASP A 35 -6.168 -8.077 0.381 1.00 34.13 C ATOM 594 O ASP A 35 -5.968 -6.906 0.701 1.00 12.33 O ATOM 595 CB ASP A 35 -5.743 -9.998 1.960 1.00 64.24 C ATOM 596 CG ASP A 35 -4.834 -11.174 2.326 1.00 32.22 C ATOM 597 OD1 ASP A 35 -4.964 -12.253 1.702 1.00 44.02 O ATOM 598 OD2 ASP A 35 -3.962 -11.020 3.207 1.00 62.30 O ATOM 0 H ASP A 35 -3.614 -8.784 2.176 1.00 30.42 H new ATOM 0 HA ASP A 35 -4.997 -9.811 -0.072 1.00 14.03 H new ATOM 0 HB2 ASP A 35 -5.876 -9.356 2.831 1.00 64.24 H new ATOM 0 HB3 ASP A 35 -6.729 -10.372 1.686 1.00 64.24 H new ATOM 603 N VAL A 36 -7.257 -8.486 -0.309 1.00 32.34 N ATOM 604 CA VAL A 36 -8.337 -7.561 -0.761 1.00 75.41 C ATOM 605 C VAL A 36 -8.835 -6.635 0.382 1.00 2.11 C ATOM 606 O VAL A 36 -8.902 -5.418 0.211 1.00 60.41 O ATOM 607 CB VAL A 36 -9.556 -8.353 -1.397 1.00 3.12 C ATOM 608 CG1 VAL A 36 -10.036 -9.505 -0.480 1.00 34.24 C ATOM 609 CG2 VAL A 36 -10.740 -7.412 -1.766 1.00 24.23 C ATOM 0 H VAL A 36 -7.417 -9.459 -0.570 1.00 32.34 H new ATOM 0 HA VAL A 36 -7.896 -6.929 -1.532 1.00 75.41 H new ATOM 0 HB VAL A 36 -9.186 -8.794 -2.323 1.00 3.12 H new ATOM 0 HG11 VAL A 36 -10.872 -10.022 -0.952 1.00 34.24 H new ATOM 0 HG12 VAL A 36 -9.218 -10.208 -0.320 1.00 34.24 H new ATOM 0 HG13 VAL A 36 -10.357 -9.097 0.479 1.00 34.24 H new ATOM 0 HG21 VAL A 36 -11.551 -7.999 -2.198 1.00 24.23 H new ATOM 0 HG22 VAL A 36 -11.096 -6.906 -0.868 1.00 24.23 H new ATOM 0 HG23 VAL A 36 -10.403 -6.671 -2.491 1.00 24.23 H new ATOM 619 N TYR A 37 -9.107 -7.231 1.560 1.00 63.11 N ATOM 620 CA TYR A 37 -9.614 -6.506 2.743 1.00 60.34 C ATOM 621 C TYR A 37 -8.562 -5.488 3.265 1.00 4.33 C ATOM 622 O TYR A 37 -8.902 -4.357 3.621 1.00 22.35 O ATOM 623 CB TYR A 37 -10.005 -7.525 3.850 1.00 31.42 C ATOM 624 CG TYR A 37 -10.894 -6.941 4.955 1.00 2.11 C ATOM 625 CD1 TYR A 37 -12.264 -6.782 4.745 1.00 55.23 C ATOM 626 CD2 TYR A 37 -10.374 -6.538 6.194 1.00 53.45 C ATOM 627 CE1 TYR A 37 -13.081 -6.250 5.723 1.00 51.22 C ATOM 628 CE2 TYR A 37 -11.191 -6.004 7.172 1.00 72.01 C ATOM 629 CZ TYR A 37 -12.541 -5.862 6.932 1.00 11.32 C ATOM 630 OH TYR A 37 -13.357 -5.334 7.904 1.00 1.35 O ATOM 0 H TYR A 37 -8.981 -8.231 1.719 1.00 63.11 H new ATOM 0 HA TYR A 37 -10.500 -5.939 2.458 1.00 60.34 H new ATOM 0 HB2 TYR A 37 -10.523 -8.365 3.388 1.00 31.42 H new ATOM 0 HB3 TYR A 37 -9.095 -7.921 4.302 1.00 31.42 H new ATOM 0 HD1 TYR A 37 -12.694 -7.080 3.800 1.00 55.23 H new ATOM 0 HD2 TYR A 37 -9.317 -6.647 6.387 1.00 53.45 H new ATOM 0 HE1 TYR A 37 -14.140 -6.138 5.542 1.00 51.22 H new ATOM 0 HE2 TYR A 37 -10.774 -5.699 8.120 1.00 72.01 H new ATOM 0 HH TYR A 37 -12.823 -5.113 8.695 1.00 1.35 H new ATOM 640 N ALA A 38 -7.277 -5.912 3.275 1.00 64.14 N ATOM 641 CA ALA A 38 -6.128 -5.051 3.668 1.00 53.24 C ATOM 642 C ALA A 38 -5.950 -3.843 2.711 1.00 11.21 C ATOM 643 O ALA A 38 -5.616 -2.744 3.155 1.00 13.34 O ATOM 644 CB ALA A 38 -4.832 -5.881 3.722 1.00 13.21 C ATOM 0 H ALA A 38 -7.004 -6.859 3.012 1.00 64.14 H new ATOM 0 HA ALA A 38 -6.344 -4.654 4.660 1.00 53.24 H new ATOM 0 HB1 ALA A 38 -4.000 -5.238 4.011 1.00 13.21 H new ATOM 0 HB2 ALA A 38 -4.943 -6.682 4.453 1.00 13.21 H new ATOM 0 HB3 ALA A 38 -4.634 -6.311 2.740 1.00 13.21 H new ATOM 650 N ARG A 39 -6.186 -4.070 1.399 1.00 53.22 N ATOM 651 CA ARG A 39 -6.097 -3.012 0.357 1.00 54.10 C ATOM 652 C ARG A 39 -7.209 -1.954 0.543 1.00 73.02 C ATOM 653 O ARG A 39 -6.976 -0.764 0.331 1.00 4.34 O ATOM 654 CB ARG A 39 -6.212 -3.618 -1.068 1.00 43.14 C ATOM 655 CG ARG A 39 -5.137 -4.666 -1.427 1.00 22.32 C ATOM 656 CD ARG A 39 -5.375 -5.283 -2.817 1.00 4.13 C ATOM 657 NE ARG A 39 -4.515 -6.448 -3.095 1.00 12.33 N ATOM 658 CZ ARG A 39 -4.675 -7.283 -4.102 1.00 71.03 C ATOM 659 NH1 ARG A 39 -5.611 -7.102 -4.984 1.00 3.43 N ATOM 660 NH2 ARG A 39 -3.885 -8.298 -4.223 1.00 1.34 N ATOM 0 H ARG A 39 -6.443 -4.986 1.030 1.00 53.22 H new ATOM 0 HA ARG A 39 -5.123 -2.536 0.468 1.00 54.10 H new ATOM 0 HB2 ARG A 39 -7.194 -4.079 -1.171 1.00 43.14 H new ATOM 0 HB3 ARG A 39 -6.163 -2.807 -1.795 1.00 43.14 H new ATOM 0 HG2 ARG A 39 -4.152 -4.199 -1.401 1.00 22.32 H new ATOM 0 HG3 ARG A 39 -5.135 -5.455 -0.675 1.00 22.32 H new ATOM 0 HD2 ARG A 39 -6.419 -5.584 -2.899 1.00 4.13 H new ATOM 0 HD3 ARG A 39 -5.202 -4.523 -3.579 1.00 4.13 H new ATOM 0 HE ARG A 39 -3.736 -6.621 -2.459 1.00 12.33 H new ATOM 0 HH11 ARG A 39 -6.239 -6.302 -4.905 1.00 3.43 H new ATOM 0 HH12 ARG A 39 -5.718 -7.760 -5.756 1.00 3.43 H new ATOM 0 HH21 ARG A 39 -3.142 -8.450 -3.541 1.00 1.34 H new ATOM 0 HH22 ARG A 39 -4.004 -8.947 -5.000 1.00 1.34 H new ATOM 674 N GLU A 40 -8.417 -2.422 0.925 1.00 54.31 N ATOM 675 CA GLU A 40 -9.597 -1.552 1.158 1.00 20.42 C ATOM 676 C GLU A 40 -9.407 -0.640 2.394 1.00 55.44 C ATOM 677 O GLU A 40 -9.599 0.576 2.309 1.00 14.20 O ATOM 678 CB GLU A 40 -10.871 -2.425 1.328 1.00 72.45 C ATOM 679 CG GLU A 40 -11.249 -3.261 0.093 1.00 54.12 C ATOM 680 CD GLU A 40 -11.631 -2.405 -1.126 1.00 12.21 C ATOM 681 OE1 GLU A 40 -12.820 -2.037 -1.258 1.00 1.31 O ATOM 682 OE2 GLU A 40 -10.747 -2.074 -1.949 1.00 5.04 O ATOM 0 H GLU A 40 -8.605 -3.412 1.081 1.00 54.31 H new ATOM 0 HA GLU A 40 -9.710 -0.905 0.288 1.00 20.42 H new ATOM 0 HB2 GLU A 40 -10.724 -3.097 2.173 1.00 72.45 H new ATOM 0 HB3 GLU A 40 -11.709 -1.775 1.580 1.00 72.45 H new ATOM 0 HG2 GLU A 40 -10.410 -3.905 -0.172 1.00 54.12 H new ATOM 0 HG3 GLU A 40 -12.084 -3.914 0.346 1.00 54.12 H new ATOM 689 N GLN A 41 -9.031 -1.255 3.535 1.00 2.31 N ATOM 690 CA GLN A 41 -8.748 -0.537 4.806 1.00 74.34 C ATOM 691 C GLN A 41 -7.622 0.514 4.624 1.00 43.25 C ATOM 692 O GLN A 41 -7.754 1.659 5.061 1.00 21.54 O ATOM 693 CB GLN A 41 -8.365 -1.562 5.912 1.00 23.23 C ATOM 694 CG GLN A 41 -9.493 -2.550 6.299 1.00 41.13 C ATOM 695 CD GLN A 41 -10.629 -1.911 7.114 1.00 15.13 C ATOM 696 OE1 GLN A 41 -10.599 -1.907 8.341 1.00 74.51 O ATOM 697 NE2 GLN A 41 -11.631 -1.359 6.452 1.00 74.11 N ATOM 0 H GLN A 41 -8.913 -2.266 3.606 1.00 2.31 H new ATOM 0 HA GLN A 41 -9.649 -0.002 5.107 1.00 74.34 H new ATOM 0 HB2 GLN A 41 -7.500 -2.133 5.575 1.00 23.23 H new ATOM 0 HB3 GLN A 41 -8.058 -1.016 6.804 1.00 23.23 H new ATOM 0 HG2 GLN A 41 -9.911 -2.983 5.390 1.00 41.13 H new ATOM 0 HG3 GLN A 41 -9.063 -3.370 6.875 1.00 41.13 H new ATOM 0 HE21 GLN A 41 -11.637 -1.373 5.432 1.00 74.11 H new ATOM 0 HE22 GLN A 41 -12.398 -0.919 6.961 1.00 74.11 H new ATOM 706 N LEU A 42 -6.533 0.097 3.944 1.00 52.24 N ATOM 707 CA LEU A 42 -5.379 0.972 3.616 1.00 13.01 C ATOM 708 C LEU A 42 -5.793 2.140 2.685 1.00 51.51 C ATOM 709 O LEU A 42 -5.357 3.278 2.878 1.00 61.13 O ATOM 710 CB LEU A 42 -4.253 0.114 2.969 1.00 41.34 C ATOM 711 CG LEU A 42 -2.920 0.835 2.587 1.00 4.43 C ATOM 712 CD1 LEU A 42 -2.306 1.591 3.788 1.00 31.01 C ATOM 713 CD2 LEU A 42 -1.913 -0.178 1.986 1.00 34.14 C ATOM 0 H LEU A 42 -6.426 -0.859 3.604 1.00 52.24 H new ATOM 0 HA LEU A 42 -5.007 1.420 4.537 1.00 13.01 H new ATOM 0 HB2 LEU A 42 -4.011 -0.696 3.657 1.00 41.34 H new ATOM 0 HB3 LEU A 42 -4.657 -0.344 2.066 1.00 41.34 H new ATOM 0 HG LEU A 42 -3.152 1.584 1.830 1.00 4.43 H new ATOM 0 HD11 LEU A 42 -1.381 2.077 3.478 1.00 31.01 H new ATOM 0 HD12 LEU A 42 -3.010 2.344 4.143 1.00 31.01 H new ATOM 0 HD13 LEU A 42 -2.093 0.886 4.591 1.00 31.01 H new ATOM 0 HD21 LEU A 42 -0.989 0.339 1.725 1.00 34.14 H new ATOM 0 HD22 LEU A 42 -1.699 -0.956 2.719 1.00 34.14 H new ATOM 0 HD23 LEU A 42 -2.342 -0.630 1.091 1.00 34.14 H new ATOM 725 N ALA A 43 -6.659 1.838 1.696 1.00 13.10 N ATOM 726 CA ALA A 43 -7.188 2.840 0.738 1.00 63.52 C ATOM 727 C ALA A 43 -8.061 3.901 1.445 1.00 70.10 C ATOM 728 O ALA A 43 -7.990 5.084 1.130 1.00 21.00 O ATOM 729 CB ALA A 43 -7.988 2.139 -0.372 1.00 4.30 C ATOM 0 H ALA A 43 -7.013 0.895 1.536 1.00 13.10 H new ATOM 0 HA ALA A 43 -6.338 3.358 0.294 1.00 63.52 H new ATOM 0 HB1 ALA A 43 -8.372 2.884 -1.070 1.00 4.30 H new ATOM 0 HB2 ALA A 43 -7.339 1.443 -0.904 1.00 4.30 H new ATOM 0 HB3 ALA A 43 -8.821 1.592 0.070 1.00 4.30 H new ATOM 735 N MET A 44 -8.879 3.457 2.421 1.00 74.31 N ATOM 736 CA MET A 44 -9.763 4.356 3.204 1.00 64.12 C ATOM 737 C MET A 44 -8.962 5.228 4.202 1.00 14.13 C ATOM 738 O MET A 44 -9.357 6.361 4.497 1.00 13.01 O ATOM 739 CB MET A 44 -10.862 3.538 3.928 1.00 1.33 C ATOM 740 CG MET A 44 -11.865 2.827 2.993 1.00 14.53 C ATOM 741 SD MET A 44 -12.754 3.955 1.877 1.00 65.01 S ATOM 742 CE MET A 44 -11.764 3.923 0.369 1.00 72.30 C ATOM 0 H MET A 44 -8.948 2.475 2.690 1.00 74.31 H new ATOM 0 HA MET A 44 -10.246 5.039 2.505 1.00 64.12 H new ATOM 0 HB2 MET A 44 -10.382 2.790 4.558 1.00 1.33 H new ATOM 0 HB3 MET A 44 -11.414 4.205 4.590 1.00 1.33 H new ATOM 0 HG2 MET A 44 -11.330 2.088 2.397 1.00 14.53 H new ATOM 0 HG3 MET A 44 -12.590 2.284 3.599 1.00 14.53 H new ATOM 0 HE1 MET A 44 -11.525 4.943 0.069 1.00 72.30 H new ATOM 0 HE2 MET A 44 -10.841 3.373 0.551 1.00 72.30 H new ATOM 0 HE3 MET A 44 -12.327 3.434 -0.426 1.00 72.30 H new ATOM 752 N ARG A 45 -7.844 4.683 4.721 1.00 64.44 N ATOM 753 CA ARG A 45 -6.881 5.450 5.547 1.00 23.10 C ATOM 754 C ARG A 45 -6.259 6.606 4.734 1.00 42.04 C ATOM 755 O ARG A 45 -6.295 7.771 5.143 1.00 43.41 O ATOM 756 CB ARG A 45 -5.752 4.511 6.078 1.00 24.21 C ATOM 757 CG ARG A 45 -6.179 3.510 7.181 1.00 63.40 C ATOM 758 CD ARG A 45 -6.329 4.153 8.580 1.00 4.24 C ATOM 759 NE ARG A 45 -7.442 5.119 8.658 1.00 31.31 N ATOM 760 CZ ARG A 45 -7.509 6.145 9.474 1.00 61.32 C ATOM 761 NH1 ARG A 45 -6.525 6.461 10.244 1.00 22.52 N ATOM 762 NH2 ARG A 45 -8.568 6.867 9.489 1.00 3.43 N ATOM 0 H ARG A 45 -7.581 3.707 4.583 1.00 64.44 H new ATOM 0 HA ARG A 45 -7.423 5.871 6.394 1.00 23.10 H new ATOM 0 HB2 ARG A 45 -5.347 3.947 5.237 1.00 24.21 H new ATOM 0 HB3 ARG A 45 -4.943 5.129 6.467 1.00 24.21 H new ATOM 0 HG2 ARG A 45 -7.127 3.053 6.897 1.00 63.40 H new ATOM 0 HG3 ARG A 45 -5.443 2.708 7.236 1.00 63.40 H new ATOM 0 HD2 ARG A 45 -6.485 3.367 9.319 1.00 4.24 H new ATOM 0 HD3 ARG A 45 -5.399 4.657 8.843 1.00 4.24 H new ATOM 0 HE ARG A 45 -8.227 4.977 8.023 1.00 31.31 H new ATOM 0 HH11 ARG A 45 -5.668 5.909 10.229 1.00 22.52 H new ATOM 0 HH12 ARG A 45 -6.604 7.263 10.869 1.00 22.52 H new ATOM 0 HH21 ARG A 45 -9.348 6.642 8.871 1.00 3.43 H new ATOM 0 HH22 ARG A 45 -8.631 7.667 10.119 1.00 3.43 H new ATOM 776 N THR A 46 -5.728 6.254 3.560 1.00 52.21 N ATOM 777 CA THR A 46 -4.914 7.151 2.708 1.00 54.50 C ATOM 778 C THR A 46 -5.755 7.950 1.678 1.00 31.34 C ATOM 779 O THR A 46 -5.200 8.779 0.951 1.00 52.30 O ATOM 780 CB THR A 46 -3.838 6.313 1.946 1.00 62.21 C ATOM 781 OG1 THR A 46 -4.481 5.324 1.118 1.00 54.54 O ATOM 782 CG2 THR A 46 -2.868 5.609 2.908 1.00 3.23 C ATOM 0 H THR A 46 -5.849 5.323 3.160 1.00 52.21 H new ATOM 0 HA THR A 46 -4.448 7.876 3.375 1.00 54.50 H new ATOM 0 HB THR A 46 -3.264 7.006 1.331 1.00 62.21 H new ATOM 0 HG1 THR A 46 -4.761 4.566 1.672 1.00 54.54 H new ATOM 0 HG21 THR A 46 -2.137 5.038 2.335 1.00 3.23 H new ATOM 0 HG22 THR A 46 -2.352 6.354 3.514 1.00 3.23 H new ATOM 0 HG23 THR A 46 -3.426 4.935 3.558 1.00 3.23 H new ATOM 790 N ASP A 47 -7.085 7.687 1.632 1.00 2.15 N ATOM 791 CA ASP A 47 -8.034 8.270 0.634 1.00 44.10 C ATOM 792 C ASP A 47 -7.613 7.939 -0.833 1.00 22.31 C ATOM 793 O ASP A 47 -7.820 8.738 -1.758 1.00 1.15 O ATOM 794 CB ASP A 47 -8.206 9.801 0.848 1.00 55.13 C ATOM 795 CG ASP A 47 -8.746 10.148 2.243 1.00 21.15 C ATOM 796 OD1 ASP A 47 -9.975 10.061 2.458 1.00 3.33 O ATOM 797 OD2 ASP A 47 -7.946 10.509 3.137 1.00 2.43 O ATOM 0 H ASP A 47 -7.540 7.057 2.293 1.00 2.15 H new ATOM 0 HA ASP A 47 -9.005 7.802 0.798 1.00 44.10 H new ATOM 0 HB2 ASP A 47 -7.245 10.294 0.702 1.00 55.13 H new ATOM 0 HB3 ASP A 47 -8.885 10.195 0.092 1.00 55.13 H new ATOM 802 N LEU A 48 -7.030 6.745 -1.026 1.00 32.13 N ATOM 803 CA LEU A 48 -6.587 6.243 -2.350 1.00 4.11 C ATOM 804 C LEU A 48 -7.542 5.163 -2.907 1.00 41.52 C ATOM 805 O LEU A 48 -8.531 4.787 -2.271 1.00 52.33 O ATOM 806 CB LEU A 48 -5.147 5.665 -2.231 1.00 15.52 C ATOM 807 CG LEU A 48 -4.027 6.694 -1.878 1.00 3.33 C ATOM 808 CD1 LEU A 48 -2.672 5.988 -1.636 1.00 55.43 C ATOM 809 CD2 LEU A 48 -3.921 7.792 -2.967 1.00 62.32 C ATOM 0 H LEU A 48 -6.848 6.090 -0.265 1.00 32.13 H new ATOM 0 HA LEU A 48 -6.597 7.081 -3.047 1.00 4.11 H new ATOM 0 HB2 LEU A 48 -5.151 4.886 -1.469 1.00 15.52 H new ATOM 0 HB3 LEU A 48 -4.889 5.186 -3.176 1.00 15.52 H new ATOM 0 HG LEU A 48 -4.301 7.186 -0.945 1.00 3.33 H new ATOM 0 HD11 LEU A 48 -1.913 6.731 -1.392 1.00 55.43 H new ATOM 0 HD12 LEU A 48 -2.771 5.285 -0.809 1.00 55.43 H new ATOM 0 HD13 LEU A 48 -2.377 5.449 -2.536 1.00 55.43 H new ATOM 0 HD21 LEU A 48 -3.134 8.496 -2.698 1.00 62.32 H new ATOM 0 HD22 LEU A 48 -3.684 7.332 -3.926 1.00 62.32 H new ATOM 0 HD23 LEU A 48 -4.871 8.321 -3.044 1.00 62.32 H new ATOM 821 N THR A 49 -7.236 4.707 -4.132 1.00 72.10 N ATOM 822 CA THR A 49 -7.881 3.532 -4.764 1.00 41.33 C ATOM 823 C THR A 49 -6.909 2.334 -4.755 1.00 73.35 C ATOM 824 O THR A 49 -5.691 2.525 -4.622 1.00 5.01 O ATOM 825 CB THR A 49 -8.293 3.831 -6.245 1.00 22.31 C ATOM 826 OG1 THR A 49 -7.127 4.177 -7.020 1.00 30.32 O ATOM 827 CG2 THR A 49 -9.333 4.965 -6.333 1.00 34.43 C ATOM 0 H THR A 49 -6.528 5.144 -4.722 1.00 72.10 H new ATOM 0 HA THR A 49 -8.778 3.300 -4.190 1.00 41.33 H new ATOM 0 HB THR A 49 -8.750 2.928 -6.649 1.00 22.31 H new ATOM 0 HG1 THR A 49 -7.392 4.361 -7.945 1.00 30.32 H new ATOM 0 HG21 THR A 49 -9.592 5.141 -7.377 1.00 34.43 H new ATOM 0 HG22 THR A 49 -10.228 4.681 -5.780 1.00 34.43 H new ATOM 0 HG23 THR A 49 -8.915 5.876 -5.904 1.00 34.43 H new ATOM 835 N GLU A 50 -7.454 1.107 -4.928 1.00 53.44 N ATOM 836 CA GLU A 50 -6.645 -0.136 -4.994 1.00 33.31 C ATOM 837 C GLU A 50 -5.567 -0.058 -6.110 1.00 22.55 C ATOM 838 O GLU A 50 -4.475 -0.603 -5.962 1.00 35.32 O ATOM 839 CB GLU A 50 -7.543 -1.383 -5.236 1.00 22.34 C ATOM 840 CG GLU A 50 -6.770 -2.725 -5.191 1.00 22.51 C ATOM 841 CD GLU A 50 -7.511 -3.916 -5.825 1.00 54.01 C ATOM 842 OE1 GLU A 50 -7.901 -3.813 -7.005 1.00 55.24 O ATOM 843 OE2 GLU A 50 -7.683 -4.962 -5.170 1.00 5.43 O ATOM 0 H GLU A 50 -8.457 0.950 -5.025 1.00 53.44 H new ATOM 0 HA GLU A 50 -6.147 -0.236 -4.030 1.00 33.31 H new ATOM 0 HB2 GLU A 50 -8.332 -1.403 -4.484 1.00 22.34 H new ATOM 0 HB3 GLU A 50 -8.030 -1.287 -6.207 1.00 22.34 H new ATOM 0 HG2 GLU A 50 -5.815 -2.596 -5.701 1.00 22.51 H new ATOM 0 HG3 GLU A 50 -6.547 -2.965 -4.152 1.00 22.51 H new ATOM 850 N ALA A 51 -5.905 0.630 -7.223 1.00 42.43 N ATOM 851 CA ALA A 51 -4.984 0.872 -8.357 1.00 72.31 C ATOM 852 C ALA A 51 -3.653 1.512 -7.886 1.00 21.00 C ATOM 853 O ALA A 51 -2.585 0.921 -8.047 1.00 20.13 O ATOM 854 CB ALA A 51 -5.670 1.767 -9.403 1.00 30.05 C ATOM 0 H ALA A 51 -6.831 1.036 -7.361 1.00 42.43 H new ATOM 0 HA ALA A 51 -4.742 -0.090 -8.808 1.00 72.31 H new ATOM 0 HB1 ALA A 51 -4.988 1.942 -10.235 1.00 30.05 H new ATOM 0 HB2 ALA A 51 -6.571 1.274 -9.769 1.00 30.05 H new ATOM 0 HB3 ALA A 51 -5.938 2.720 -8.947 1.00 30.05 H new ATOM 860 N ARG A 52 -3.756 2.701 -7.254 1.00 55.35 N ATOM 861 CA ARG A 52 -2.587 3.461 -6.733 1.00 63.41 C ATOM 862 C ARG A 52 -1.814 2.690 -5.626 1.00 53.30 C ATOM 863 O ARG A 52 -0.578 2.738 -5.582 1.00 12.34 O ATOM 864 CB ARG A 52 -3.043 4.854 -6.214 1.00 23.32 C ATOM 865 CG ARG A 52 -3.420 5.859 -7.328 1.00 11.04 C ATOM 866 CD ARG A 52 -3.709 7.272 -6.780 1.00 75.41 C ATOM 867 NE ARG A 52 -3.930 8.257 -7.859 1.00 24.15 N ATOM 868 CZ ARG A 52 -4.662 9.349 -7.777 1.00 31.30 C ATOM 869 NH1 ARG A 52 -5.363 9.619 -6.718 1.00 60.13 N ATOM 870 NH2 ARG A 52 -4.703 10.163 -8.779 1.00 53.12 N ATOM 0 H ARG A 52 -4.649 3.165 -7.088 1.00 55.35 H new ATOM 0 HA ARG A 52 -1.893 3.593 -7.563 1.00 63.41 H new ATOM 0 HB2 ARG A 52 -3.902 4.720 -5.557 1.00 23.32 H new ATOM 0 HB3 ARG A 52 -2.243 5.283 -5.610 1.00 23.32 H new ATOM 0 HG2 ARG A 52 -2.608 5.914 -8.053 1.00 11.04 H new ATOM 0 HG3 ARG A 52 -4.298 5.493 -7.860 1.00 11.04 H new ATOM 0 HD2 ARG A 52 -4.588 7.237 -6.137 1.00 75.41 H new ATOM 0 HD3 ARG A 52 -2.873 7.597 -6.160 1.00 75.41 H new ATOM 0 HE ARG A 52 -3.472 8.074 -8.752 1.00 24.15 H new ATOM 0 HH11 ARG A 52 -5.355 8.979 -5.924 1.00 60.13 H new ATOM 0 HH12 ARG A 52 -5.922 10.472 -6.680 1.00 60.13 H new ATOM 0 HH21 ARG A 52 -4.171 9.958 -9.625 1.00 53.12 H new ATOM 0 HH22 ARG A 52 -5.267 11.011 -8.724 1.00 53.12 H new ATOM 884 N VAL A 53 -2.558 1.981 -4.751 1.00 41.03 N ATOM 885 CA VAL A 53 -1.974 1.137 -3.674 1.00 41.32 C ATOM 886 C VAL A 53 -1.074 0.015 -4.265 1.00 31.45 C ATOM 887 O VAL A 53 0.081 -0.151 -3.852 1.00 44.52 O ATOM 888 CB VAL A 53 -3.110 0.519 -2.760 1.00 45.34 C ATOM 889 CG1 VAL A 53 -2.539 -0.494 -1.727 1.00 34.33 C ATOM 890 CG2 VAL A 53 -3.918 1.643 -2.045 1.00 2.40 C ATOM 0 H VAL A 53 -3.578 1.974 -4.767 1.00 41.03 H new ATOM 0 HA VAL A 53 -1.348 1.778 -3.053 1.00 41.32 H new ATOM 0 HB VAL A 53 -3.787 -0.032 -3.413 1.00 45.34 H new ATOM 0 HG11 VAL A 53 -3.352 -0.893 -1.121 1.00 34.33 H new ATOM 0 HG12 VAL A 53 -2.044 -1.310 -2.253 1.00 34.33 H new ATOM 0 HG13 VAL A 53 -1.820 0.011 -1.082 1.00 34.33 H new ATOM 0 HG21 VAL A 53 -4.693 1.195 -1.423 1.00 2.40 H new ATOM 0 HG22 VAL A 53 -3.247 2.232 -1.420 1.00 2.40 H new ATOM 0 HG23 VAL A 53 -4.381 2.289 -2.791 1.00 2.40 H new ATOM 900 N GLN A 54 -1.608 -0.715 -5.268 1.00 63.45 N ATOM 901 CA GLN A 54 -0.886 -1.826 -5.938 1.00 22.04 C ATOM 902 C GLN A 54 0.365 -1.326 -6.692 1.00 10.13 C ATOM 903 O GLN A 54 1.397 -1.977 -6.631 1.00 64.41 O ATOM 904 CB GLN A 54 -1.817 -2.608 -6.904 1.00 52.42 C ATOM 905 CG GLN A 54 -2.950 -3.386 -6.206 1.00 33.10 C ATOM 906 CD GLN A 54 -3.842 -4.144 -7.190 1.00 44.15 C ATOM 907 OE1 GLN A 54 -3.626 -5.318 -7.479 1.00 22.25 O ATOM 908 NE2 GLN A 54 -4.827 -3.469 -7.742 1.00 40.03 N ATOM 0 H GLN A 54 -2.546 -0.555 -5.636 1.00 63.45 H new ATOM 0 HA GLN A 54 -0.557 -2.505 -5.151 1.00 22.04 H new ATOM 0 HB2 GLN A 54 -2.257 -1.906 -7.612 1.00 52.42 H new ATOM 0 HB3 GLN A 54 -1.214 -3.308 -7.482 1.00 52.42 H new ATOM 0 HG2 GLN A 54 -2.517 -4.092 -5.497 1.00 33.10 H new ATOM 0 HG3 GLN A 54 -3.561 -2.691 -5.630 1.00 33.10 H new ATOM 0 HE21 GLN A 54 -4.985 -2.495 -7.484 1.00 40.03 H new ATOM 0 HE22 GLN A 54 -5.433 -3.920 -8.428 1.00 40.03 H new ATOM 917 N VAL A 55 0.264 -0.160 -7.382 1.00 52.03 N ATOM 918 CA VAL A 55 1.419 0.451 -8.111 1.00 51.15 C ATOM 919 C VAL A 55 2.626 0.684 -7.164 1.00 10.42 C ATOM 920 O VAL A 55 3.770 0.370 -7.514 1.00 34.42 O ATOM 921 CB VAL A 55 1.031 1.817 -8.808 1.00 4.32 C ATOM 922 CG1 VAL A 55 2.268 2.507 -9.465 1.00 22.42 C ATOM 923 CG2 VAL A 55 -0.099 1.612 -9.850 1.00 54.34 C ATOM 0 H VAL A 55 -0.600 0.378 -7.452 1.00 52.03 H new ATOM 0 HA VAL A 55 1.701 -0.262 -8.885 1.00 51.15 H new ATOM 0 HB VAL A 55 0.661 2.481 -8.027 1.00 4.32 H new ATOM 0 HG11 VAL A 55 1.958 3.442 -9.932 1.00 22.42 H new ATOM 0 HG12 VAL A 55 3.017 2.715 -8.701 1.00 22.42 H new ATOM 0 HG13 VAL A 55 2.694 1.847 -10.221 1.00 22.42 H new ATOM 0 HG21 VAL A 55 -0.345 2.568 -10.313 1.00 54.34 H new ATOM 0 HG22 VAL A 55 0.235 0.913 -10.617 1.00 54.34 H new ATOM 0 HG23 VAL A 55 -0.983 1.211 -9.354 1.00 54.34 H new ATOM 933 N TRP A 56 2.338 1.213 -5.958 1.00 45.14 N ATOM 934 CA TRP A 56 3.368 1.525 -4.943 1.00 52.43 C ATOM 935 C TRP A 56 4.086 0.236 -4.461 1.00 41.04 C ATOM 936 O TRP A 56 5.321 0.173 -4.440 1.00 64.13 O ATOM 937 CB TRP A 56 2.728 2.268 -3.741 1.00 51.33 C ATOM 938 CG TRP A 56 3.735 2.933 -2.820 1.00 42.44 C ATOM 939 CD1 TRP A 56 4.183 4.221 -2.904 1.00 60.45 C ATOM 940 CD2 TRP A 56 4.426 2.350 -1.702 1.00 63.21 C ATOM 941 NE1 TRP A 56 5.074 4.482 -1.903 1.00 52.34 N ATOM 942 CE2 TRP A 56 5.246 3.356 -1.155 1.00 61.52 C ATOM 943 CE3 TRP A 56 4.430 1.083 -1.106 1.00 12.33 C ATOM 944 CZ2 TRP A 56 6.059 3.143 -0.051 1.00 4.43 C ATOM 945 CZ3 TRP A 56 5.238 0.868 -0.010 1.00 4.14 C ATOM 946 CH2 TRP A 56 6.040 1.894 0.509 1.00 54.53 C ATOM 0 H TRP A 56 1.388 1.436 -5.659 1.00 45.14 H new ATOM 0 HA TRP A 56 4.113 2.174 -5.403 1.00 52.43 H new ATOM 0 HB2 TRP A 56 2.041 3.025 -4.119 1.00 51.33 H new ATOM 0 HB3 TRP A 56 2.135 1.559 -3.163 1.00 51.33 H new ATOM 0 HD1 TRP A 56 3.876 4.932 -3.656 1.00 60.45 H new ATOM 0 HE1 TRP A 56 5.537 5.376 -1.741 1.00 52.34 H new ATOM 0 HE3 TRP A 56 3.812 0.289 -1.498 1.00 12.33 H new ATOM 0 HZ2 TRP A 56 6.681 3.930 0.350 1.00 4.43 H new ATOM 0 HZ3 TRP A 56 5.253 -0.106 0.456 1.00 4.14 H new ATOM 0 HH2 TRP A 56 6.658 1.694 1.372 1.00 54.53 H new ATOM 957 N PHE A 57 3.282 -0.777 -4.071 1.00 71.04 N ATOM 958 CA PHE A 57 3.787 -2.085 -3.578 1.00 24.40 C ATOM 959 C PHE A 57 4.577 -2.850 -4.664 1.00 30.32 C ATOM 960 O PHE A 57 5.608 -3.439 -4.363 1.00 21.11 O ATOM 961 CB PHE A 57 2.617 -2.959 -3.031 1.00 21.41 C ATOM 962 CG PHE A 57 2.155 -2.574 -1.624 1.00 34.40 C ATOM 963 CD1 PHE A 57 1.568 -1.338 -1.371 1.00 22.34 C ATOM 964 CD2 PHE A 57 2.328 -3.447 -0.546 1.00 51.42 C ATOM 965 CE1 PHE A 57 1.168 -0.988 -0.100 1.00 33.04 C ATOM 966 CE2 PHE A 57 1.928 -3.092 0.725 1.00 13.50 C ATOM 967 CZ PHE A 57 1.349 -1.863 0.946 1.00 44.24 C ATOM 0 H PHE A 57 2.264 -0.715 -4.088 1.00 71.04 H new ATOM 0 HA PHE A 57 4.478 -1.876 -2.762 1.00 24.40 H new ATOM 0 HB2 PHE A 57 1.771 -2.882 -3.713 1.00 21.41 H new ATOM 0 HB3 PHE A 57 2.929 -4.003 -3.026 1.00 21.41 H new ATOM 0 HD1 PHE A 57 1.424 -0.642 -2.184 1.00 22.34 H new ATOM 0 HD2 PHE A 57 2.781 -4.413 -0.711 1.00 51.42 H new ATOM 0 HE1 PHE A 57 0.712 -0.025 0.076 1.00 33.04 H new ATOM 0 HE2 PHE A 57 2.069 -3.778 1.547 1.00 13.50 H new ATOM 0 HZ PHE A 57 1.036 -1.585 1.942 1.00 44.24 H new ATOM 977 N GLN A 58 4.087 -2.815 -5.918 1.00 44.22 N ATOM 978 CA GLN A 58 4.753 -3.461 -7.082 1.00 51.13 C ATOM 979 C GLN A 58 6.083 -2.759 -7.443 1.00 55.03 C ATOM 980 O GLN A 58 7.025 -3.409 -7.905 1.00 31.42 O ATOM 981 CB GLN A 58 3.801 -3.473 -8.316 1.00 25.24 C ATOM 982 CG GLN A 58 2.599 -4.436 -8.192 1.00 5.43 C ATOM 983 CD GLN A 58 1.620 -4.339 -9.369 1.00 12.11 C ATOM 984 OE1 GLN A 58 0.653 -3.580 -9.337 1.00 1.11 O ATOM 985 NE2 GLN A 58 1.877 -5.082 -10.433 1.00 34.15 N ATOM 0 H GLN A 58 3.218 -2.339 -6.160 1.00 44.22 H new ATOM 0 HA GLN A 58 4.984 -4.488 -6.798 1.00 51.13 H new ATOM 0 HB2 GLN A 58 3.425 -2.463 -8.478 1.00 25.24 H new ATOM 0 HB3 GLN A 58 4.377 -3.744 -9.200 1.00 25.24 H new ATOM 0 HG2 GLN A 58 2.968 -5.459 -8.119 1.00 5.43 H new ATOM 0 HG3 GLN A 58 2.065 -4.223 -7.266 1.00 5.43 H new ATOM 0 HE21 GLN A 58 2.685 -5.705 -10.437 1.00 34.15 H new ATOM 0 HE22 GLN A 58 1.267 -5.032 -11.249 1.00 34.15 H new ATOM 994 N ASN A 59 6.139 -1.431 -7.227 1.00 30.45 N ATOM 995 CA ASN A 59 7.350 -0.620 -7.498 1.00 24.11 C ATOM 996 C ASN A 59 8.447 -0.922 -6.436 1.00 53.13 C ATOM 997 O ASN A 59 9.623 -1.100 -6.768 1.00 25.25 O ATOM 998 CB ASN A 59 6.988 0.896 -7.526 1.00 0.14 C ATOM 999 CG ASN A 59 7.968 1.736 -8.352 1.00 10.43 C ATOM 1000 OD1 ASN A 59 8.988 2.205 -7.857 1.00 14.15 O ATOM 1001 ND2 ASN A 59 7.669 1.925 -9.625 1.00 62.32 N ATOM 0 H ASN A 59 5.355 -0.890 -6.863 1.00 30.45 H new ATOM 0 HA ASN A 59 7.748 -0.887 -8.477 1.00 24.11 H new ATOM 0 HB2 ASN A 59 5.984 1.016 -7.933 1.00 0.14 H new ATOM 0 HB3 ASN A 59 6.965 1.276 -6.505 1.00 0.14 H new ATOM 0 HD21 ASN A 59 8.292 2.471 -10.220 1.00 62.32 H new ATOM 0 HD22 ASN A 59 6.815 1.525 -10.013 1.00 62.32 H new ATOM 1008 N ARG A 60 8.029 -0.987 -5.153 1.00 42.01 N ATOM 1009 CA ARG A 60 8.897 -1.423 -4.022 1.00 52.35 C ATOM 1010 C ARG A 60 9.287 -2.917 -4.141 1.00 63.21 C ATOM 1011 O ARG A 60 10.348 -3.334 -3.659 1.00 44.51 O ATOM 1012 CB ARG A 60 8.192 -1.176 -2.653 1.00 73.51 C ATOM 1013 CG ARG A 60 8.512 0.157 -1.954 1.00 21.52 C ATOM 1014 CD ARG A 60 7.897 1.393 -2.636 1.00 41.33 C ATOM 1015 NE ARG A 60 8.659 1.910 -3.778 1.00 73.10 N ATOM 1016 CZ ARG A 60 8.262 2.914 -4.527 1.00 64.50 C ATOM 1017 NH1 ARG A 60 7.052 3.374 -4.456 1.00 73.14 N ATOM 1018 NH2 ARG A 60 9.076 3.438 -5.365 1.00 74.35 N ATOM 0 H ARG A 60 7.082 -0.740 -4.866 1.00 42.01 H new ATOM 0 HA ARG A 60 9.807 -0.825 -4.071 1.00 52.35 H new ATOM 0 HB2 ARG A 60 7.114 -1.231 -2.808 1.00 73.51 H new ATOM 0 HB3 ARG A 60 8.459 -1.989 -1.978 1.00 73.51 H new ATOM 0 HG2 ARG A 60 8.156 0.109 -0.925 1.00 21.52 H new ATOM 0 HG3 ARG A 60 9.594 0.281 -1.911 1.00 21.52 H new ATOM 0 HD2 ARG A 60 6.891 1.142 -2.973 1.00 41.33 H new ATOM 0 HD3 ARG A 60 7.796 2.186 -1.895 1.00 41.33 H new ATOM 0 HE ARG A 60 9.548 1.464 -4.004 1.00 73.10 H new ATOM 0 HH11 ARG A 60 6.384 2.955 -3.808 1.00 73.14 H new ATOM 0 HH12 ARG A 60 6.768 4.154 -5.048 1.00 73.14 H new ATOM 0 HH21 ARG A 60 10.026 3.076 -5.448 1.00 74.35 H new ATOM 0 HH22 ARG A 60 8.775 4.218 -5.950 1.00 74.35 H new ATOM 1032 N ARG A 61 8.402 -3.715 -4.751 1.00 10.10 N ATOM 1033 CA ARG A 61 8.645 -5.149 -4.994 1.00 31.15 C ATOM 1034 C ARG A 61 9.700 -5.301 -6.115 1.00 51.12 C ATOM 1035 O ARG A 61 10.520 -6.205 -6.065 1.00 12.01 O ATOM 1036 CB ARG A 61 7.298 -5.876 -5.337 1.00 12.10 C ATOM 1037 CG ARG A 61 7.261 -7.401 -5.056 1.00 33.34 C ATOM 1038 CD ARG A 61 7.959 -8.262 -6.129 1.00 50.12 C ATOM 1039 NE ARG A 61 8.093 -9.669 -5.710 1.00 52.43 N ATOM 1040 CZ ARG A 61 7.267 -10.644 -6.014 1.00 31.31 C ATOM 1041 NH1 ARG A 61 6.191 -10.431 -6.705 1.00 74.42 N ATOM 1042 NH2 ARG A 61 7.517 -11.840 -5.603 1.00 75.31 N ATOM 0 H ARG A 61 7.497 -3.389 -5.091 1.00 10.10 H new ATOM 0 HA ARG A 61 9.039 -5.623 -4.095 1.00 31.15 H new ATOM 0 HB2 ARG A 61 6.497 -5.402 -4.770 1.00 12.10 H new ATOM 0 HB3 ARG A 61 7.079 -5.715 -6.393 1.00 12.10 H new ATOM 0 HG2 ARG A 61 7.731 -7.592 -4.091 1.00 33.34 H new ATOM 0 HG3 ARG A 61 6.221 -7.718 -4.972 1.00 33.34 H new ATOM 0 HD2 ARG A 61 7.391 -8.213 -7.058 1.00 50.12 H new ATOM 0 HD3 ARG A 61 8.947 -7.851 -6.337 1.00 50.12 H new ATOM 0 HE ARG A 61 8.899 -9.907 -5.132 1.00 52.43 H new ATOM 0 HH11 ARG A 61 5.969 -9.489 -7.026 1.00 74.42 H new ATOM 0 HH12 ARG A 61 5.566 -11.206 -6.928 1.00 74.42 H new ATOM 0 HH21 ARG A 61 8.351 -12.024 -5.046 1.00 75.31 H new ATOM 0 HH22 ARG A 61 6.880 -12.602 -5.835 1.00 75.31 H new ATOM 1056 N ALA A 62 9.671 -4.375 -7.098 1.00 64.45 N ATOM 1057 CA ALA A 62 10.691 -4.279 -8.174 1.00 41.05 C ATOM 1058 C ALA A 62 12.059 -3.784 -7.623 1.00 43.03 C ATOM 1059 O ALA A 62 13.114 -4.124 -8.160 1.00 52.45 O ATOM 1060 CB ALA A 62 10.185 -3.343 -9.285 1.00 65.13 C ATOM 0 H ALA A 62 8.938 -3.669 -7.171 1.00 64.45 H new ATOM 0 HA ALA A 62 10.848 -5.276 -8.586 1.00 41.05 H new ATOM 0 HB1 ALA A 62 10.935 -3.275 -10.073 1.00 65.13 H new ATOM 0 HB2 ALA A 62 9.258 -3.739 -9.700 1.00 65.13 H new ATOM 0 HB3 ALA A 62 10.003 -2.352 -8.870 1.00 65.13 H new