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 Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.284 F(o=-1.7!,f=-0.28) USER MOD Single : A 35 THR OG1 : rot -141:sc= 0.673 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0.844 (180deg=0.798) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0196 (180deg=-0.217) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0.358 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0861 K(o=-0.086,f=-2.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.238 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.851 -9.524 -1.167 1.00 22.13 N ATOM 274 CA ARG A 18 -7.204 -9.702 0.143 1.00 75.54 C ATOM 275 C ARG A 18 -6.708 -8.361 0.732 1.00 71.13 C ATOM 276 O ARG A 18 -6.277 -7.460 0.003 1.00 0.42 O ATOM 277 CB ARG A 18 -6.054 -10.719 0.043 1.00 74.20 C ATOM 278 CG ARG A 18 -4.910 -10.292 -0.869 1.00 14.25 C ATOM 279 CD ARG A 18 -3.804 -11.343 -0.918 1.00 73.52 C ATOM 280 NE ARG A 18 -3.330 -11.697 0.422 1.00 42.31 N ATOM 281 CZ ARG A 18 -2.240 -12.369 0.672 1.00 10.00 C ATOM 282 NH1 ARG A 18 -1.460 -12.751 -0.287 1.00 14.53 N ATOM 283 NH2 ARG A 18 -1.937 -12.649 1.899 1.00 54.41 N ATOM 0 HA ARG A 18 -7.955 -10.093 0.829 1.00 75.54 H new ATOM 0 HB2 ARG A 18 -5.657 -10.899 1.042 1.00 74.20 H new ATOM 0 HB3 ARG A 18 -6.454 -11.667 -0.317 1.00 74.20 H new ATOM 0 HG2 ARG A 18 -5.292 -10.119 -1.875 1.00 14.25 H new ATOM 0 HG3 ARG A 18 -4.498 -9.346 -0.517 1.00 14.25 H new ATOM 0 HD2 ARG A 18 -4.174 -12.237 -1.421 1.00 73.52 H new ATOM 0 HD3 ARG A 18 -2.970 -10.966 -1.511 1.00 73.52 H new ATOM 0 HE ARG A 18 -3.893 -11.396 1.218 1.00 42.31 H new ATOM 0 HH11 ARG A 18 -1.694 -12.527 -1.254 1.00 14.53 H new ATOM 0 HH12 ARG A 18 -0.611 -13.276 -0.076 1.00 14.53 H new ATOM 0 HH21 ARG A 18 -2.548 -12.345 2.657 1.00 54.41 H new ATOM 0 HH22 ARG A 18 -1.088 -13.174 2.108 1.00 54.41 H new ATOM 297 N LYS A 19 -6.774 -8.239 2.059 1.00 32.51 N ATOM 298 CA LYS A 19 -6.493 -6.970 2.746 1.00 31.01 C ATOM 299 C LYS A 19 -5.309 -7.080 3.719 1.00 44.04 C ATOM 300 O LYS A 19 -5.079 -8.126 4.331 1.00 74.10 O ATOM 301 CB LYS A 19 -7.750 -6.515 3.502 1.00 22.32 C ATOM 302 CG LYS A 19 -8.964 -6.309 2.597 1.00 53.00 C ATOM 303 CD LYS A 19 -10.257 -6.157 3.396 1.00 11.21 C ATOM 304 CE LYS A 19 -11.472 -5.991 2.488 1.00 70.22 C ATOM 305 NZ LYS A 19 -12.748 -6.050 3.251 1.00 0.32 N ATOM 0 H LYS A 19 -7.021 -9.006 2.685 1.00 32.51 H new ATOM 0 HA LYS A 19 -6.218 -6.236 1.989 1.00 31.01 H new ATOM 0 HB2 LYS A 19 -7.995 -7.256 4.263 1.00 22.32 H new ATOM 0 HB3 LYS A 19 -7.533 -5.583 4.024 1.00 22.32 H new ATOM 0 HG2 LYS A 19 -8.811 -5.421 1.983 1.00 53.00 H new ATOM 0 HG3 LYS A 19 -9.056 -7.155 1.917 1.00 53.00 H new ATOM 0 HD2 LYS A 19 -10.396 -7.032 4.031 1.00 11.21 H new ATOM 0 HD3 LYS A 19 -10.176 -5.293 4.056 1.00 11.21 H new ATOM 0 HE2 LYS A 19 -11.406 -5.037 1.964 1.00 70.22 H new ATOM 0 HE3 LYS A 19 -11.467 -6.773 1.728 1.00 70.22 H new ATOM 0 HZ1 LYS A 19 -13.549 -5.933 2.598 1.00 0.32 H new ATOM 0 HZ2 LYS A 19 -12.824 -6.970 3.730 1.00 0.32 H new ATOM 0 HZ3 LYS A 19 -12.765 -5.288 3.959 1.00 0.32 H new ATOM 319 N VAL A 20 -4.565 -5.985 3.856 1.00 31.34 N ATOM 320 CA VAL A 20 -3.412 -5.916 4.764 1.00 51.04 C ATOM 321 C VAL A 20 -3.451 -4.634 5.618 1.00 22.13 C ATOM 322 O VAL A 20 -4.054 -3.636 5.226 1.00 62.21 O ATOM 323 CB VAL A 20 -2.077 -5.964 3.975 1.00 55.35 C ATOM 324 CG1 VAL A 20 -1.875 -7.332 3.327 1.00 24.33 C ATOM 325 CG2 VAL A 20 -2.035 -4.859 2.920 1.00 13.32 C ATOM 0 H VAL A 20 -4.740 -5.120 3.344 1.00 31.34 H new ATOM 0 HA VAL A 20 -3.470 -6.783 5.422 1.00 51.04 H new ATOM 0 HB VAL A 20 -1.262 -5.799 4.680 1.00 55.35 H new ATOM 0 HG11 VAL A 20 -0.932 -7.340 2.780 1.00 24.33 H new ATOM 0 HG12 VAL A 20 -1.853 -8.101 4.099 1.00 24.33 H new ATOM 0 HG13 VAL A 20 -2.696 -7.533 2.638 1.00 24.33 H new ATOM 0 HG21 VAL A 20 -1.091 -4.910 2.378 1.00 13.32 H new ATOM 0 HG22 VAL A 20 -2.862 -4.991 2.222 1.00 13.32 H new ATOM 0 HG23 VAL A 20 -2.122 -3.888 3.407 1.00 13.32 H new ATOM 335 N ARG A 21 -2.817 -4.670 6.787 1.00 13.23 N ATOM 336 CA ARG A 21 -2.755 -3.495 7.671 1.00 33.14 C ATOM 337 C ARG A 21 -1.347 -2.877 7.670 1.00 74.23 C ATOM 338 O ARG A 21 -0.341 -3.587 7.742 1.00 13.22 O ATOM 339 CB ARG A 21 -3.157 -3.886 9.100 1.00 42.43 C ATOM 340 CG ARG A 21 -3.281 -2.705 10.061 1.00 2.05 C ATOM 341 CD ARG A 21 -3.672 -3.157 11.464 1.00 71.10 C ATOM 342 NE ARG A 21 -3.839 -2.034 12.386 1.00 52.11 N ATOM 343 CZ ARG A 21 -3.428 -2.037 13.625 1.00 63.14 C ATOM 344 NH1 ARG A 21 -2.789 -3.056 14.105 1.00 13.12 N ATOM 345 NH2 ARG A 21 -3.655 -1.016 14.383 1.00 41.04 N ATOM 0 H ARG A 21 -2.338 -5.495 7.149 1.00 13.23 H new ATOM 0 HA ARG A 21 -3.455 -2.750 7.294 1.00 33.14 H new ATOM 0 HB2 ARG A 21 -4.110 -4.414 9.066 1.00 42.43 H new ATOM 0 HB3 ARG A 21 -2.420 -4.585 9.494 1.00 42.43 H new ATOM 0 HG2 ARG A 21 -2.333 -2.169 10.103 1.00 2.05 H new ATOM 0 HG3 ARG A 21 -4.027 -2.005 9.683 1.00 2.05 H new ATOM 0 HD2 ARG A 21 -4.602 -3.724 11.414 1.00 71.10 H new ATOM 0 HD3 ARG A 21 -2.908 -3.831 11.852 1.00 71.10 H new ATOM 0 HE ARG A 21 -4.306 -1.196 12.039 1.00 52.11 H new ATOM 0 HH11 ARG A 21 -2.603 -3.866 13.514 1.00 13.12 H new ATOM 0 HH12 ARG A 21 -2.472 -3.049 15.074 1.00 13.12 H new ATOM 0 HH21 ARG A 21 -4.155 -0.208 14.013 1.00 41.04 H new ATOM 0 HH22 ARG A 21 -3.334 -1.018 15.351 1.00 41.04 H new ATOM 359 N ALA A 22 -1.283 -1.551 7.595 1.00 14.31 N ATOM 360 CA ALA A 22 -0.003 -0.836 7.541 1.00 34.12 C ATOM 361 C ALA A 22 0.699 -0.791 8.905 1.00 51.45 C ATOM 362 O ALA A 22 0.071 -0.524 9.929 1.00 63.40 O ATOM 363 CB ALA A 22 -0.221 0.578 7.025 1.00 54.20 C ATOM 0 H ALA A 22 -2.103 -0.945 7.570 1.00 14.31 H new ATOM 0 HA ALA A 22 0.647 -1.385 6.859 1.00 34.12 H new ATOM 0 HB1 ALA A 22 0.734 1.103 6.988 1.00 54.20 H new ATOM 0 HB2 ALA A 22 -0.652 0.538 6.025 1.00 54.20 H new ATOM 0 HB3 ALA A 22 -0.901 1.108 7.692 1.00 54.20 H new ATOM 369 N ILE A 23 2.006 -1.057 8.912 1.00 62.33 N ATOM 370 CA ILE A 23 2.822 -0.944 10.133 1.00 3.04 C ATOM 371 C ILE A 23 3.774 0.262 10.069 1.00 75.42 C ATOM 372 O ILE A 23 4.337 0.681 11.085 1.00 74.43 O ATOM 373 CB ILE A 23 3.648 -2.234 10.398 1.00 43.34 C ATOM 374 CG1 ILE A 23 4.497 -2.601 9.164 1.00 62.55 C ATOM 375 CG2 ILE A 23 2.727 -3.392 10.790 1.00 62.00 C ATOM 376 CD1 ILE A 23 5.339 -3.850 9.340 1.00 5.31 C ATOM 0 H ILE A 23 2.528 -1.353 8.087 1.00 62.33 H new ATOM 0 HA ILE A 23 2.121 -0.800 10.956 1.00 3.04 H new ATOM 0 HB ILE A 23 4.326 -2.042 11.230 1.00 43.34 H new ATOM 0 HG12 ILE A 23 3.835 -2.740 8.309 1.00 62.55 H new ATOM 0 HG13 ILE A 23 5.153 -1.764 8.926 1.00 62.55 H new ATOM 0 HG21 ILE A 23 3.324 -4.286 10.971 1.00 62.00 H new ATOM 0 HG22 ILE A 23 2.180 -3.131 11.696 1.00 62.00 H new ATOM 0 HG23 ILE A 23 2.021 -3.585 9.982 1.00 62.00 H new ATOM 0 HD11 ILE A 23 5.905 -4.039 8.428 1.00 5.31 H new ATOM 0 HD12 ILE A 23 6.028 -3.710 10.173 1.00 5.31 H new ATOM 0 HD13 ILE A 23 4.689 -4.701 9.546 1.00 5.31 H new ATOM 388 N TYR A 24 3.955 0.818 8.875 1.00 42.31 N ATOM 389 CA TYR A 24 4.831 1.980 8.686 1.00 21.42 C ATOM 390 C TYR A 24 4.126 3.102 7.911 1.00 64.51 C ATOM 391 O TYR A 24 3.200 2.854 7.137 1.00 2.44 O ATOM 392 CB TYR A 24 6.114 1.580 7.944 1.00 61.24 C ATOM 393 CG TYR A 24 6.999 0.609 8.704 1.00 25.22 C ATOM 394 CD1 TYR A 24 7.430 0.894 9.993 1.00 31.14 C ATOM 395 CD2 TYR A 24 7.409 -0.589 8.126 1.00 63.23 C ATOM 396 CE1 TYR A 24 8.241 0.019 10.683 1.00 72.21 C ATOM 397 CE2 TYR A 24 8.223 -1.467 8.812 1.00 15.23 C ATOM 398 CZ TYR A 24 8.634 -1.158 10.090 1.00 51.01 C ATOM 399 OH TYR A 24 9.455 -2.023 10.774 1.00 12.30 O ATOM 0 H TYR A 24 3.508 0.486 8.020 1.00 42.31 H new ATOM 0 HA TYR A 24 5.086 2.351 9.679 1.00 21.42 H new ATOM 0 HB2 TYR A 24 5.842 1.133 6.988 1.00 61.24 H new ATOM 0 HB3 TYR A 24 6.688 2.480 7.724 1.00 61.24 H new ATOM 0 HD1 TYR A 24 7.124 1.817 10.463 1.00 31.14 H new ATOM 0 HD2 TYR A 24 7.085 -0.835 7.126 1.00 63.23 H new ATOM 0 HE1 TYR A 24 8.566 0.257 11.685 1.00 72.21 H new ATOM 0 HE2 TYR A 24 8.536 -2.391 8.350 1.00 15.23 H new ATOM 0 HH TYR A 24 9.639 -2.808 10.217 1.00 12.30 H new ATOM 409 N ASP A 25 4.571 4.332 8.136 1.00 54.14 N ATOM 410 CA ASP A 25 4.055 5.501 7.419 1.00 54.43 C ATOM 411 C ASP A 25 4.895 5.769 6.158 1.00 23.43 C ATOM 412 O ASP A 25 6.128 5.690 6.203 1.00 33.04 O ATOM 413 CB ASP A 25 4.098 6.727 8.339 1.00 33.44 C ATOM 414 CG ASP A 25 3.616 6.418 9.746 1.00 33.34 C ATOM 415 OD1 ASP A 25 4.454 6.034 10.594 1.00 12.31 O ATOM 416 OD2 ASP A 25 2.408 6.563 10.018 1.00 63.15 O ATOM 0 H ASP A 25 5.297 4.551 8.818 1.00 54.14 H new ATOM 0 HA ASP A 25 3.025 5.305 7.119 1.00 54.43 H new ATOM 0 HB2 ASP A 25 5.118 7.108 8.384 1.00 33.44 H new ATOM 0 HB3 ASP A 25 3.481 7.518 7.913 1.00 33.44 H new ATOM 421 N PHE A 26 4.241 6.087 5.041 1.00 41.02 N ATOM 422 CA PHE A 26 4.961 6.359 3.786 1.00 51.41 C ATOM 423 C PHE A 26 4.190 7.324 2.867 1.00 43.21 C ATOM 424 O PHE A 26 3.004 7.129 2.588 1.00 44.40 O ATOM 425 CB PHE A 26 5.257 5.046 3.042 1.00 31.31 C ATOM 426 CG PHE A 26 5.997 5.238 1.736 1.00 21.45 C ATOM 427 CD1 PHE A 26 7.378 5.381 1.717 1.00 32.34 C ATOM 428 CD2 PHE A 26 5.310 5.265 0.530 1.00 31.44 C ATOM 429 CE1 PHE A 26 8.054 5.552 0.522 1.00 11.02 C ATOM 430 CE2 PHE A 26 5.981 5.433 -0.665 1.00 72.12 C ATOM 431 CZ PHE A 26 7.355 5.575 -0.669 1.00 10.13 C ATOM 0 H PHE A 26 3.226 6.163 4.974 1.00 41.02 H new ATOM 0 HA PHE A 26 5.900 6.844 4.055 1.00 51.41 H new ATOM 0 HB2 PHE A 26 5.845 4.397 3.690 1.00 31.31 H new ATOM 0 HB3 PHE A 26 4.317 4.531 2.844 1.00 31.31 H new ATOM 0 HD1 PHE A 26 7.930 5.359 2.645 1.00 32.34 H new ATOM 0 HD2 PHE A 26 4.236 5.153 0.526 1.00 31.44 H new ATOM 0 HE1 PHE A 26 9.128 5.667 0.520 1.00 11.02 H new ATOM 0 HE2 PHE A 26 5.432 5.453 -1.595 1.00 72.12 H new ATOM 0 HZ PHE A 26 7.882 5.704 -1.603 1.00 10.13 H new ATOM 441 N GLU A 27 4.885 8.367 2.405 1.00 5.12 N ATOM 442 CA GLU A 27 4.326 9.312 1.431 1.00 51.43 C ATOM 443 C GLU A 27 4.748 8.916 0.004 1.00 53.00 C ATOM 444 O GLU A 27 5.918 8.615 -0.240 1.00 54.11 O ATOM 445 CB GLU A 27 4.812 10.739 1.743 1.00 11.32 C ATOM 446 CG GLU A 27 4.676 11.138 3.212 1.00 25.42 C ATOM 447 CD GLU A 27 3.240 11.112 3.718 1.00 51.44 C ATOM 448 OE1 GLU A 27 2.544 12.142 3.602 1.00 34.03 O ATOM 449 OE2 GLU A 27 2.808 10.075 4.263 1.00 31.32 O ATOM 0 H GLU A 27 5.841 8.580 2.691 1.00 5.12 H new ATOM 0 HA GLU A 27 3.238 9.283 1.499 1.00 51.43 H new ATOM 0 HB2 GLU A 27 5.858 10.827 1.449 1.00 11.32 H new ATOM 0 HB3 GLU A 27 4.249 11.445 1.132 1.00 11.32 H new ATOM 0 HG2 GLU A 27 5.280 10.465 3.821 1.00 25.42 H new ATOM 0 HG3 GLU A 27 5.082 12.140 3.347 1.00 25.42 H new ATOM 456 N ALA A 28 3.800 8.925 -0.933 1.00 12.44 N ATOM 457 CA ALA A 28 4.061 8.491 -2.317 1.00 21.43 C ATOM 458 C ALA A 28 5.228 9.250 -2.967 1.00 42.20 C ATOM 459 O ALA A 28 5.133 10.449 -3.232 1.00 42.43 O ATOM 460 CB ALA A 28 2.803 8.647 -3.165 1.00 11.22 C ATOM 0 H ALA A 28 2.841 9.228 -0.764 1.00 12.44 H new ATOM 0 HA ALA A 28 4.347 7.440 -2.270 1.00 21.43 H new ATOM 0 HB1 ALA A 28 3.009 8.323 -4.185 1.00 11.22 H new ATOM 0 HB2 ALA A 28 2.003 8.037 -2.745 1.00 11.22 H new ATOM 0 HB3 ALA A 28 2.496 9.693 -3.172 1.00 11.22 H new ATOM 466 N ALA A 29 6.327 8.543 -3.225 1.00 23.02 N ATOM 467 CA ALA A 29 7.483 9.129 -3.912 1.00 54.20 C ATOM 468 C ALA A 29 7.142 9.496 -5.365 1.00 23.45 C ATOM 469 O ALA A 29 7.763 10.381 -5.958 1.00 33.52 O ATOM 470 CB ALA A 29 8.665 8.164 -3.873 1.00 50.34 C ATOM 0 H ALA A 29 6.444 7.562 -2.969 1.00 23.02 H new ATOM 0 HA ALA A 29 7.755 10.046 -3.390 1.00 54.20 H new ATOM 0 HB1 ALA A 29 9.517 8.611 -4.386 1.00 50.34 H new ATOM 0 HB2 ALA A 29 8.933 7.959 -2.837 1.00 50.34 H new ATOM 0 HB3 ALA A 29 8.391 7.233 -4.368 1.00 50.34 H new ATOM 476 N GLU A 30 6.157 8.797 -5.931 1.00 42.21 N ATOM 477 CA GLU A 30 5.695 9.048 -7.304 1.00 0.01 C ATOM 478 C GLU A 30 4.159 8.977 -7.398 1.00 61.13 C ATOM 479 O GLU A 30 3.503 8.429 -6.510 1.00 34.25 O ATOM 480 CB GLU A 30 6.323 8.037 -8.276 1.00 11.15 C ATOM 481 CG GLU A 30 7.830 8.207 -8.483 1.00 73.12 C ATOM 482 CD GLU A 30 8.394 7.243 -9.514 1.00 45.50 C ATOM 483 OE1 GLU A 30 7.893 7.236 -10.662 1.00 11.54 O ATOM 484 OE2 GLU A 30 9.329 6.482 -9.187 1.00 61.23 O ATOM 0 H GLU A 30 5.657 8.045 -5.457 1.00 42.21 H new ATOM 0 HA GLU A 30 6.010 10.054 -7.580 1.00 0.01 H new ATOM 0 HB2 GLU A 30 6.131 7.030 -7.906 1.00 11.15 H new ATOM 0 HB3 GLU A 30 5.825 8.123 -9.242 1.00 11.15 H new ATOM 0 HG2 GLU A 30 8.036 9.230 -8.798 1.00 73.12 H new ATOM 0 HG3 GLU A 30 8.342 8.056 -7.533 1.00 73.12 H new ATOM 491 N ASP A 31 3.599 9.506 -8.493 1.00 64.23 N ATOM 492 CA ASP A 31 2.136 9.578 -8.679 1.00 52.20 C ATOM 493 C ASP A 31 1.429 8.236 -8.424 1.00 21.45 C ATOM 494 O ASP A 31 0.359 8.196 -7.818 1.00 72.41 O ATOM 495 CB ASP A 31 1.802 10.046 -10.102 1.00 54.41 C ATOM 496 CG ASP A 31 2.344 11.428 -10.413 1.00 21.23 C ATOM 497 OD1 ASP A 31 1.642 12.428 -10.149 1.00 51.32 O ATOM 498 OD2 ASP A 31 3.472 11.518 -10.939 1.00 54.45 O ATOM 0 H ASP A 31 4.136 9.893 -9.269 1.00 64.23 H new ATOM 0 HA ASP A 31 1.772 10.293 -7.941 1.00 52.20 H new ATOM 0 HB2 ASP A 31 2.209 9.332 -10.818 1.00 54.41 H new ATOM 0 HB3 ASP A 31 0.720 10.048 -10.234 1.00 54.41 H new ATOM 503 N ASN A 32 2.024 7.137 -8.891 1.00 53.22 N ATOM 504 CA ASN A 32 1.366 5.824 -8.820 1.00 63.13 C ATOM 505 C ASN A 32 1.728 5.051 -7.533 1.00 75.10 C ATOM 506 O ASN A 32 1.282 3.922 -7.341 1.00 75.21 O ATOM 507 CB ASN A 32 1.704 4.998 -10.070 1.00 74.54 C ATOM 508 CG ASN A 32 0.593 4.031 -10.459 1.00 1.01 C ATOM 509 OD1 ASN A 32 -0.652 4.407 -10.213 1.00 54.25 O flip ATOM 510 ND2 ASN A 32 0.843 2.961 -11.002 1.00 5.23 N flip ATOM 0 H ASN A 32 2.950 7.125 -9.319 1.00 53.22 H new ATOM 0 HA ASN A 32 0.290 5.997 -8.786 1.00 63.13 H new ATOM 0 HB2 ASN A 32 1.900 5.673 -10.903 1.00 74.54 H new ATOM 0 HB3 ASN A 32 2.621 4.437 -9.892 1.00 74.54 H new ATOM 0 HD21 ASN A 32 1.811 2.694 -11.181 1.00 5.23 H new ATOM 0 HD22 ASN A 32 0.083 2.338 -11.275 1.00 5.23 H new ATOM 517 N GLU A 33 2.527 5.663 -6.655 1.00 71.11 N ATOM 518 CA GLU A 33 2.800 5.098 -5.323 1.00 62.14 C ATOM 519 C GLU A 33 1.609 5.368 -4.385 1.00 13.25 C ATOM 520 O GLU A 33 0.774 6.228 -4.668 1.00 54.12 O ATOM 521 CB GLU A 33 4.084 5.702 -4.725 1.00 75.21 C ATOM 522 CG GLU A 33 5.378 5.311 -5.442 1.00 63.42 C ATOM 523 CD GLU A 33 5.805 3.876 -5.163 1.00 21.14 C ATOM 524 OE1 GLU A 33 6.246 3.595 -4.025 1.00 14.40 O ATOM 525 OE2 GLU A 33 5.734 3.035 -6.080 1.00 52.40 O ATOM 0 H GLU A 33 2.998 6.549 -6.839 1.00 71.11 H new ATOM 0 HA GLU A 33 2.941 4.022 -5.428 1.00 62.14 H new ATOM 0 HB2 GLU A 33 3.995 6.788 -4.735 1.00 75.21 H new ATOM 0 HB3 GLU A 33 4.159 5.398 -3.681 1.00 75.21 H new ATOM 0 HG2 GLU A 33 5.245 5.442 -6.516 1.00 63.42 H new ATOM 0 HG3 GLU A 33 6.175 5.987 -5.135 1.00 63.42 H new ATOM 532 N LEU A 34 1.525 4.647 -3.269 1.00 60.53 N ATOM 533 CA LEU A 34 0.398 4.816 -2.333 1.00 72.43 C ATOM 534 C LEU A 34 0.815 5.599 -1.069 1.00 61.40 C ATOM 535 O LEU A 34 1.730 5.196 -0.350 1.00 13.45 O ATOM 536 CB LEU A 34 -0.180 3.441 -1.936 1.00 73.05 C ATOM 537 CG LEU A 34 -1.718 3.321 -1.999 1.00 4.51 C ATOM 538 CD1 LEU A 34 -2.179 1.961 -1.482 1.00 64.20 C ATOM 539 CD2 LEU A 34 -2.394 4.452 -1.227 1.00 24.22 C ATOM 0 H LEU A 34 2.211 3.947 -2.986 1.00 60.53 H new ATOM 0 HA LEU A 34 -0.369 5.396 -2.846 1.00 72.43 H new ATOM 0 HB2 LEU A 34 0.253 2.683 -2.589 1.00 73.05 H new ATOM 0 HB3 LEU A 34 0.143 3.210 -0.921 1.00 73.05 H new ATOM 0 HG LEU A 34 -2.015 3.407 -3.044 1.00 4.51 H new ATOM 0 HD11 LEU A 34 -3.266 1.900 -1.536 1.00 64.20 H new ATOM 0 HD12 LEU A 34 -1.741 1.172 -2.093 1.00 64.20 H new ATOM 0 HD13 LEU A 34 -1.860 1.838 -0.447 1.00 64.20 H new ATOM 0 HD21 LEU A 34 -3.476 4.340 -1.290 1.00 24.22 H new ATOM 0 HD22 LEU A 34 -2.086 4.414 -0.182 1.00 24.22 H new ATOM 0 HD23 LEU A 34 -2.103 5.411 -1.657 1.00 24.22 H new ATOM 551 N THR A 35 0.127 6.713 -0.805 1.00 11.05 N ATOM 552 CA THR A 35 0.375 7.525 0.398 1.00 2.40 C ATOM 553 C THR A 35 -0.577 7.133 1.537 1.00 62.55 C ATOM 554 O THR A 35 -1.796 7.207 1.381 1.00 63.31 O ATOM 555 CB THR A 35 0.178 9.039 0.117 1.00 32.25 C ATOM 556 OG1 THR A 35 1.049 9.476 -0.935 1.00 42.35 O ATOM 557 CG2 THR A 35 0.437 9.873 1.370 1.00 31.45 C ATOM 0 H THR A 35 -0.610 7.078 -1.409 1.00 11.05 H new ATOM 0 HA THR A 35 1.409 7.335 0.687 1.00 2.40 H new ATOM 0 HB THR A 35 -0.858 9.182 -0.190 1.00 32.25 H new ATOM 0 HG1 THR A 35 1.395 10.368 -0.724 1.00 42.35 H new ATOM 0 HG21 THR A 35 0.291 10.929 1.141 1.00 31.45 H new ATOM 0 HG22 THR A 35 -0.256 9.573 2.156 1.00 31.45 H new ATOM 0 HG23 THR A 35 1.461 9.713 1.708 1.00 31.45 H new ATOM 565 N PHE A 36 -0.022 6.720 2.678 1.00 20.25 N ATOM 566 CA PHE A 36 -0.837 6.398 3.859 1.00 43.00 C ATOM 567 C PHE A 36 0.006 6.284 5.137 1.00 74.11 C ATOM 568 O PHE A 36 1.235 6.212 5.092 1.00 55.44 O ATOM 569 CB PHE A 36 -1.647 5.104 3.642 1.00 22.44 C ATOM 570 CG PHE A 36 -0.818 3.888 3.300 1.00 62.25 C ATOM 571 CD1 PHE A 36 -0.265 3.096 4.297 1.00 71.24 C ATOM 572 CD2 PHE A 36 -0.608 3.524 1.977 1.00 51.22 C ATOM 573 CE1 PHE A 36 0.478 1.977 3.980 1.00 30.23 C ATOM 574 CE2 PHE A 36 0.136 2.408 1.660 1.00 74.21 C ATOM 575 CZ PHE A 36 0.675 1.633 2.663 1.00 54.41 C ATOM 0 H PHE A 36 0.982 6.600 2.813 1.00 20.25 H new ATOM 0 HA PHE A 36 -1.529 7.230 3.992 1.00 43.00 H new ATOM 0 HB2 PHE A 36 -2.219 4.894 4.546 1.00 22.44 H new ATOM 0 HB3 PHE A 36 -2.367 5.273 2.841 1.00 22.44 H new ATOM 0 HD1 PHE A 36 -0.418 3.359 5.333 1.00 71.24 H new ATOM 0 HD2 PHE A 36 -1.033 4.123 1.186 1.00 51.22 H new ATOM 0 HE1 PHE A 36 0.905 1.372 4.766 1.00 30.23 H new ATOM 0 HE2 PHE A 36 0.296 2.141 0.626 1.00 74.21 H new ATOM 0 HZ PHE A 36 1.253 0.755 2.415 1.00 54.41 H new ATOM 585 N LYS A 37 -0.682 6.273 6.278 1.00 1.51 N ATOM 586 CA LYS A 37 -0.032 6.151 7.588 1.00 34.35 C ATOM 587 C LYS A 37 -0.268 4.758 8.202 1.00 75.44 C ATOM 588 O LYS A 37 -1.111 3.988 7.733 1.00 63.34 O ATOM 589 CB LYS A 37 -0.544 7.243 8.550 1.00 33.14 C ATOM 590 CG LYS A 37 0.193 8.584 8.445 1.00 14.34 C ATOM 591 CD LYS A 37 0.075 9.217 7.061 1.00 72.15 C ATOM 592 CE LYS A 37 0.817 10.546 6.995 1.00 22.54 C ATOM 593 NZ LYS A 37 0.747 11.164 5.645 1.00 14.11 N ATOM 0 H LYS A 37 -1.698 6.348 6.324 1.00 1.51 H new ATOM 0 HA LYS A 37 1.040 6.282 7.439 1.00 34.35 H new ATOM 0 HB2 LYS A 37 -1.604 7.410 8.358 1.00 33.14 H new ATOM 0 HB3 LYS A 37 -0.459 6.876 9.573 1.00 33.14 H new ATOM 0 HG2 LYS A 37 -0.207 9.272 9.190 1.00 14.34 H new ATOM 0 HG3 LYS A 37 1.246 8.434 8.682 1.00 14.34 H new ATOM 0 HD2 LYS A 37 0.478 8.536 6.312 1.00 72.15 H new ATOM 0 HD3 LYS A 37 -0.976 9.373 6.818 1.00 72.15 H new ATOM 0 HE2 LYS A 37 0.395 11.232 7.729 1.00 22.54 H new ATOM 0 HE3 LYS A 37 1.861 10.391 7.268 1.00 22.54 H new ATOM 0 HZ1 LYS A 37 1.237 12.081 5.657 1.00 14.11 H new ATOM 0 HZ2 LYS A 37 1.204 10.537 4.952 1.00 14.11 H new ATOM 0 HZ3 LYS A 37 -0.248 11.306 5.380 1.00 14.11 H new ATOM 607 N ALA A 38 0.481 4.449 9.259 1.00 4.31 N ATOM 608 CA ALA A 38 0.341 3.170 9.968 1.00 64.55 C ATOM 609 C ALA A 38 -1.081 2.978 10.523 1.00 4.22 C ATOM 610 O ALA A 38 -1.744 3.939 10.921 1.00 43.13 O ATOM 611 CB ALA A 38 1.368 3.081 11.093 1.00 2.11 C ATOM 0 H ALA A 38 1.194 5.066 9.647 1.00 4.31 H new ATOM 0 HA ALA A 38 0.523 2.369 9.251 1.00 64.55 H new ATOM 0 HB1 ALA A 38 1.257 2.130 11.613 1.00 2.11 H new ATOM 0 HB2 ALA A 38 2.372 3.151 10.675 1.00 2.11 H new ATOM 0 HB3 ALA A 38 1.210 3.899 11.796 1.00 2.11 H new ATOM 617 N GLY A 39 -1.549 1.734 10.538 1.00 21.31 N ATOM 618 CA GLY A 39 -2.889 1.432 11.038 1.00 14.30 C ATOM 619 C GLY A 39 -3.935 1.296 9.933 1.00 51.20 C ATOM 620 O GLY A 39 -4.945 0.609 10.109 1.00 44.52 O ATOM 0 H GLY A 39 -1.025 0.922 10.212 1.00 21.31 H new ATOM 0 HA2 GLY A 39 -2.854 0.505 11.611 1.00 14.30 H new ATOM 0 HA3 GLY A 39 -3.198 2.220 11.725 1.00 14.30 H new ATOM 624 N GLU A 40 -3.697 1.944 8.795 1.00 72.33 N ATOM 625 CA GLU A 40 -4.639 1.905 7.669 1.00 22.33 C ATOM 626 C GLU A 40 -4.789 0.490 7.088 1.00 33.53 C ATOM 627 O GLU A 40 -3.840 -0.298 7.079 1.00 73.24 O ATOM 628 CB GLU A 40 -4.197 2.877 6.563 1.00 13.45 C ATOM 629 CG GLU A 40 -4.271 4.349 6.960 1.00 53.20 C ATOM 630 CD GLU A 40 -5.658 4.753 7.435 1.00 52.34 C ATOM 631 OE1 GLU A 40 -6.581 4.841 6.598 1.00 31.21 O ATOM 632 OE2 GLU A 40 -5.844 4.947 8.655 1.00 71.44 O ATOM 0 H GLU A 40 -2.861 2.503 8.624 1.00 72.33 H new ATOM 0 HA GLU A 40 -5.611 2.211 8.056 1.00 22.33 H new ATOM 0 HB2 GLU A 40 -3.173 2.641 6.275 1.00 13.45 H new ATOM 0 HB3 GLU A 40 -4.821 2.717 5.683 1.00 13.45 H new ATOM 0 HG2 GLU A 40 -3.548 4.546 7.751 1.00 53.20 H new ATOM 0 HG3 GLU A 40 -3.988 4.967 6.108 1.00 53.20 H new ATOM 639 N ILE A 41 -5.992 0.182 6.604 1.00 72.20 N ATOM 640 CA ILE A 41 -6.267 -1.106 5.959 1.00 14.12 C ATOM 641 C ILE A 41 -6.204 -0.969 4.430 1.00 3.23 C ATOM 642 O ILE A 41 -7.088 -0.374 3.806 1.00 24.33 O ATOM 643 CB ILE A 41 -7.658 -1.656 6.369 1.00 12.25 C ATOM 644 CG1 ILE A 41 -7.760 -1.789 7.899 1.00 54.31 C ATOM 645 CG2 ILE A 41 -7.929 -3.003 5.694 1.00 0.41 C ATOM 646 CD1 ILE A 41 -6.759 -2.758 8.505 1.00 54.31 C ATOM 0 H ILE A 41 -6.796 0.808 6.646 1.00 72.20 H new ATOM 0 HA ILE A 41 -5.502 -1.807 6.292 1.00 14.12 H new ATOM 0 HB ILE A 41 -8.415 -0.947 6.034 1.00 12.25 H new ATOM 0 HG12 ILE A 41 -7.617 -0.807 8.349 1.00 54.31 H new ATOM 0 HG13 ILE A 41 -8.767 -2.114 8.158 1.00 54.31 H new ATOM 0 HG21 ILE A 41 -8.910 -3.370 5.996 1.00 0.41 H new ATOM 0 HG22 ILE A 41 -7.905 -2.879 4.611 1.00 0.41 H new ATOM 0 HG23 ILE A 41 -7.165 -3.720 5.994 1.00 0.41 H new ATOM 0 HD11 ILE A 41 -6.896 -2.794 9.586 1.00 54.31 H new ATOM 0 HD12 ILE A 41 -6.915 -3.752 8.086 1.00 54.31 H new ATOM 0 HD13 ILE A 41 -5.746 -2.424 8.279 1.00 54.31 H new ATOM 658 N ILE A 42 -5.149 -1.512 3.833 1.00 10.01 N ATOM 659 CA ILE A 42 -4.951 -1.438 2.383 1.00 12.14 C ATOM 660 C ILE A 42 -5.482 -2.701 1.687 1.00 3.41 C ATOM 661 O ILE A 42 -5.038 -3.814 1.975 1.00 71.13 O ATOM 662 CB ILE A 42 -3.450 -1.261 2.005 1.00 2.31 C ATOM 663 CG1 ILE A 42 -2.844 0.000 2.656 1.00 63.33 C ATOM 664 CG2 ILE A 42 -3.286 -1.200 0.485 1.00 74.31 C ATOM 665 CD1 ILE A 42 -2.577 -0.123 4.143 1.00 15.42 C ATOM 0 H ILE A 42 -4.412 -2.012 4.331 1.00 10.01 H new ATOM 0 HA ILE A 42 -5.507 -0.564 2.044 1.00 12.14 H new ATOM 0 HB ILE A 42 -2.910 -2.127 2.388 1.00 2.31 H new ATOM 0 HG12 ILE A 42 -1.908 0.239 2.151 1.00 63.33 H new ATOM 0 HG13 ILE A 42 -3.520 0.839 2.490 1.00 63.33 H new ATOM 0 HG21 ILE A 42 -2.232 -1.076 0.237 1.00 74.31 H new ATOM 0 HG22 ILE A 42 -3.657 -2.124 0.042 1.00 74.31 H new ATOM 0 HG23 ILE A 42 -3.853 -0.356 0.091 1.00 74.31 H new ATOM 0 HD11 ILE A 42 -2.152 0.809 4.515 1.00 15.42 H new ATOM 0 HD12 ILE A 42 -3.512 -0.329 4.665 1.00 15.42 H new ATOM 0 HD13 ILE A 42 -1.875 -0.938 4.320 1.00 15.42 H new ATOM 677 N THR A 43 -6.438 -2.531 0.781 1.00 74.23 N ATOM 678 CA THR A 43 -6.912 -3.649 -0.044 1.00 51.32 C ATOM 679 C THR A 43 -5.991 -3.826 -1.253 1.00 23.44 C ATOM 680 O THR A 43 -5.997 -3.002 -2.169 1.00 11.12 O ATOM 681 CB THR A 43 -8.362 -3.426 -0.552 1.00 42.04 C ATOM 682 OG1 THR A 43 -9.269 -3.277 0.553 1.00 22.03 O ATOM 683 CG2 THR A 43 -8.826 -4.589 -1.426 1.00 4.11 C ATOM 0 H THR A 43 -6.900 -1.641 0.596 1.00 74.23 H new ATOM 0 HA THR A 43 -6.902 -4.540 0.583 1.00 51.32 H new ATOM 0 HB THR A 43 -8.361 -2.513 -1.148 1.00 42.04 H new ATOM 0 HG1 THR A 43 -10.177 -3.136 0.214 1.00 22.03 H new ATOM 0 HG21 THR A 43 -9.845 -4.404 -1.767 1.00 4.11 H new ATOM 0 HG22 THR A 43 -8.166 -4.682 -2.289 1.00 4.11 H new ATOM 0 HG23 THR A 43 -8.799 -5.512 -0.847 1.00 4.11 H new ATOM 691 N VAL A 44 -5.187 -4.888 -1.262 1.00 14.10 N ATOM 692 CA VAL A 44 -4.243 -5.107 -2.364 1.00 53.51 C ATOM 693 C VAL A 44 -4.946 -5.738 -3.577 1.00 53.34 C ATOM 694 O VAL A 44 -5.286 -6.921 -3.585 1.00 62.22 O ATOM 695 CB VAL A 44 -3.011 -5.950 -1.929 1.00 71.31 C ATOM 696 CG1 VAL A 44 -3.429 -7.283 -1.323 1.00 65.05 C ATOM 697 CG2 VAL A 44 -2.054 -6.157 -3.105 1.00 24.52 C ATOM 0 H VAL A 44 -5.167 -5.601 -0.533 1.00 14.10 H new ATOM 0 HA VAL A 44 -3.867 -4.127 -2.659 1.00 53.51 H new ATOM 0 HB VAL A 44 -2.485 -5.392 -1.154 1.00 71.31 H new ATOM 0 HG11 VAL A 44 -2.541 -7.844 -1.031 1.00 65.05 H new ATOM 0 HG12 VAL A 44 -4.051 -7.105 -0.445 1.00 65.05 H new ATOM 0 HG13 VAL A 44 -3.995 -7.855 -2.058 1.00 65.05 H new ATOM 0 HG21 VAL A 44 -1.199 -6.749 -2.779 1.00 24.52 H new ATOM 0 HG22 VAL A 44 -2.573 -6.680 -3.908 1.00 24.52 H new ATOM 0 HG23 VAL A 44 -1.708 -5.189 -3.467 1.00 24.52 H new ATOM 707 N LEU A 45 -5.175 -4.910 -4.592 1.00 1.13 N ATOM 708 CA LEU A 45 -5.917 -5.312 -5.790 1.00 52.02 C ATOM 709 C LEU A 45 -5.056 -6.166 -6.732 1.00 1.12 C ATOM 710 O LEU A 45 -5.579 -6.949 -7.526 1.00 25.14 O ATOM 711 CB LEU A 45 -6.421 -4.062 -6.525 1.00 71.41 C ATOM 712 CG LEU A 45 -7.266 -3.101 -5.667 1.00 55.31 C ATOM 713 CD1 LEU A 45 -7.635 -1.848 -6.455 1.00 73.11 C ATOM 714 CD2 LEU A 45 -8.522 -3.803 -5.149 1.00 50.51 C ATOM 0 H LEU A 45 -4.853 -3.942 -4.611 1.00 1.13 H new ATOM 0 HA LEU A 45 -6.764 -5.922 -5.475 1.00 52.02 H new ATOM 0 HB2 LEU A 45 -5.562 -3.517 -6.915 1.00 71.41 H new ATOM 0 HB3 LEU A 45 -7.015 -4.378 -7.383 1.00 71.41 H new ATOM 0 HG LEU A 45 -6.666 -2.796 -4.810 1.00 55.31 H new ATOM 0 HD11 LEU A 45 -8.231 -1.186 -5.827 1.00 73.11 H new ATOM 0 HD12 LEU A 45 -6.726 -1.333 -6.765 1.00 73.11 H new ATOM 0 HD13 LEU A 45 -8.212 -2.129 -7.336 1.00 73.11 H new ATOM 0 HD21 LEU A 45 -9.105 -3.107 -4.545 1.00 50.51 H new ATOM 0 HD22 LEU A 45 -9.123 -4.143 -5.992 1.00 50.51 H new ATOM 0 HD23 LEU A 45 -8.235 -4.660 -4.539 1.00 50.51 H new ATOM 726 N ASP A 46 -3.736 -6.006 -6.649 1.00 73.23 N ATOM 727 CA ASP A 46 -2.813 -6.768 -7.498 1.00 35.43 C ATOM 728 C ASP A 46 -1.529 -7.155 -6.737 1.00 42.51 C ATOM 729 O ASP A 46 -0.597 -6.362 -6.615 1.00 31.34 O ATOM 730 CB ASP A 46 -2.462 -5.965 -8.760 1.00 11.23 C ATOM 731 CG ASP A 46 -1.801 -6.821 -9.828 1.00 33.44 C ATOM 732 OD1 ASP A 46 -0.601 -7.147 -9.690 1.00 11.11 O ATOM 733 OD2 ASP A 46 -2.483 -7.180 -10.811 1.00 30.24 O ATOM 0 H ASP A 46 -3.280 -5.359 -6.006 1.00 73.23 H new ATOM 0 HA ASP A 46 -3.317 -7.690 -7.790 1.00 35.43 H new ATOM 0 HB2 ASP A 46 -3.369 -5.518 -9.167 1.00 11.23 H new ATOM 0 HB3 ASP A 46 -1.796 -5.145 -8.492 1.00 11.23 H new ATOM 738 N ASP A 47 -1.506 -8.371 -6.198 1.00 15.13 N ATOM 739 CA ASP A 47 -0.307 -8.922 -5.553 1.00 12.04 C ATOM 740 C ASP A 47 0.385 -9.940 -6.481 1.00 72.10 C ATOM 741 O ASP A 47 1.116 -10.821 -6.024 1.00 3.11 O ATOM 742 CB ASP A 47 -0.703 -9.584 -4.225 1.00 70.01 C ATOM 743 CG ASP A 47 -1.684 -10.731 -4.418 1.00 51.13 C ATOM 744 OD1 ASP A 47 -2.849 -10.470 -4.790 1.00 44.13 O ATOM 745 OD2 ASP A 47 -1.291 -11.900 -4.218 1.00 31.32 O ATOM 0 H ASP A 47 -2.308 -9.001 -6.193 1.00 15.13 H new ATOM 0 HA ASP A 47 0.398 -8.115 -5.354 1.00 12.04 H new ATOM 0 HB2 ASP A 47 0.192 -9.955 -3.726 1.00 70.01 H new ATOM 0 HB3 ASP A 47 -1.147 -8.836 -3.568 1.00 70.01 H new ATOM 750 N SER A 48 0.172 -9.781 -7.790 1.00 51.23 N ATOM 751 CA SER A 48 0.646 -10.747 -8.794 1.00 35.44 C ATOM 752 C SER A 48 2.172 -10.913 -8.780 1.00 4.32 C ATOM 753 O SER A 48 2.693 -11.966 -9.151 1.00 62.02 O ATOM 754 CB SER A 48 0.190 -10.330 -10.199 1.00 44.41 C ATOM 755 OG SER A 48 0.635 -11.254 -11.183 1.00 3.24 O ATOM 0 H SER A 48 -0.330 -8.986 -8.185 1.00 51.23 H new ATOM 0 HA SER A 48 0.206 -11.709 -8.531 1.00 35.44 H new ATOM 0 HB2 SER A 48 -0.898 -10.263 -10.226 1.00 44.41 H new ATOM 0 HB3 SER A 48 0.576 -9.337 -10.429 1.00 44.41 H new ATOM 0 HG SER A 48 0.328 -10.963 -12.067 1.00 3.24 H new ATOM 761 N ASP A 49 2.889 -9.882 -8.350 1.00 20.51 N ATOM 762 CA ASP A 49 4.353 -9.931 -8.321 1.00 52.34 C ATOM 763 C ASP A 49 4.892 -9.455 -6.959 1.00 52.11 C ATOM 764 O ASP A 49 4.465 -8.420 -6.447 1.00 53.44 O ATOM 765 CB ASP A 49 4.928 -9.071 -9.454 1.00 14.25 C ATOM 766 CG ASP A 49 6.414 -9.304 -9.656 1.00 63.33 C ATOM 767 OD1 ASP A 49 6.777 -10.217 -10.426 1.00 61.12 O ATOM 768 OD2 ASP A 49 7.225 -8.598 -9.025 1.00 71.24 O ATOM 0 H ASP A 49 2.488 -9.005 -8.018 1.00 20.51 H new ATOM 0 HA ASP A 49 4.667 -10.965 -8.465 1.00 52.34 H new ATOM 0 HB2 ASP A 49 4.398 -9.293 -10.380 1.00 14.25 H new ATOM 0 HB3 ASP A 49 4.754 -8.018 -9.232 1.00 14.25 H new ATOM 773 N PRO A 50 5.842 -10.204 -6.357 1.00 31.23 N ATOM 774 CA PRO A 50 6.406 -9.868 -5.035 1.00 41.01 C ATOM 775 C PRO A 50 7.068 -8.479 -4.988 1.00 65.04 C ATOM 776 O PRO A 50 7.213 -7.890 -3.913 1.00 13.11 O ATOM 777 CB PRO A 50 7.453 -10.972 -4.797 1.00 55.30 C ATOM 778 CG PRO A 50 7.732 -11.541 -6.148 1.00 31.04 C ATOM 779 CD PRO A 50 6.435 -11.437 -6.902 1.00 43.24 C ATOM 0 HA PRO A 50 5.627 -9.823 -4.274 1.00 41.01 H new ATOM 0 HB2 PRO A 50 8.358 -10.566 -4.346 1.00 55.30 H new ATOM 0 HB3 PRO A 50 7.073 -11.736 -4.118 1.00 55.30 H new ATOM 0 HG2 PRO A 50 8.524 -10.987 -6.651 1.00 31.04 H new ATOM 0 HG3 PRO A 50 8.063 -12.577 -6.077 1.00 31.04 H new ATOM 0 HD2 PRO A 50 6.596 -11.368 -7.978 1.00 43.24 H new ATOM 0 HD3 PRO A 50 5.796 -12.304 -6.731 1.00 43.24 H new ATOM 787 N ASN A 51 7.467 -7.964 -6.149 1.00 75.30 N ATOM 788 CA ASN A 51 8.123 -6.653 -6.235 1.00 44.43 C ATOM 789 C ASN A 51 7.101 -5.520 -6.432 1.00 22.45 C ATOM 790 O ASN A 51 7.382 -4.363 -6.121 1.00 73.32 O ATOM 791 CB ASN A 51 9.138 -6.640 -7.384 1.00 4.33 C ATOM 792 CG ASN A 51 10.176 -7.740 -7.250 1.00 61.13 C ATOM 793 OD1 ASN A 51 11.224 -7.556 -6.643 1.00 4.02 O ATOM 794 ND2 ASN A 51 9.895 -8.893 -7.821 1.00 53.04 N ATOM 0 H ASN A 51 7.349 -8.433 -7.047 1.00 75.30 H new ATOM 0 HA ASN A 51 8.641 -6.483 -5.291 1.00 44.43 H new ATOM 0 HB2 ASN A 51 8.612 -6.754 -8.332 1.00 4.33 H new ATOM 0 HB3 ASN A 51 9.639 -5.672 -7.412 1.00 4.33 H new ATOM 0 HD21 ASN A 51 10.559 -9.665 -7.765 1.00 53.04 H new ATOM 0 HD22 ASN A 51 9.013 -9.014 -8.319 1.00 53.04 H new ATOM 801 N TRP A 52 5.916 -5.854 -6.948 1.00 40.12 N ATOM 802 CA TRP A 52 4.894 -4.841 -7.251 1.00 11.31 C ATOM 803 C TRP A 52 3.526 -5.190 -6.645 1.00 15.21 C ATOM 804 O TRP A 52 2.725 -5.909 -7.247 1.00 64.22 O ATOM 805 CB TRP A 52 4.760 -4.650 -8.772 1.00 40.32 C ATOM 806 CG TRP A 52 6.011 -4.140 -9.424 1.00 32.55 C ATOM 807 CD1 TRP A 52 6.909 -4.860 -10.161 1.00 73.12 C ATOM 808 CD2 TRP A 52 6.510 -2.796 -9.389 1.00 32.01 C ATOM 809 NE1 TRP A 52 7.927 -4.046 -10.587 1.00 42.23 N ATOM 810 CE2 TRP A 52 7.705 -2.777 -10.128 1.00 63.14 C ATOM 811 CE3 TRP A 52 6.058 -1.607 -8.807 1.00 55.21 C ATOM 812 CZ2 TRP A 52 8.456 -1.616 -10.302 1.00 64.00 C ATOM 813 CZ3 TRP A 52 6.804 -0.454 -8.981 1.00 21.55 C ATOM 814 CH2 TRP A 52 7.992 -0.466 -9.723 1.00 53.41 C ATOM 0 H TRP A 52 5.638 -6.811 -7.165 1.00 40.12 H new ATOM 0 HA TRP A 52 5.227 -3.909 -6.794 1.00 11.31 H new ATOM 0 HB2 TRP A 52 4.485 -5.602 -9.227 1.00 40.32 H new ATOM 0 HB3 TRP A 52 3.946 -3.954 -8.972 1.00 40.32 H new ATOM 0 HD1 TRP A 52 6.829 -5.915 -10.376 1.00 73.12 H new ATOM 0 HE1 TRP A 52 8.722 -4.340 -11.155 1.00 42.23 H new ATOM 0 HE3 TRP A 52 5.144 -1.589 -8.232 1.00 55.21 H new ATOM 0 HZ2 TRP A 52 9.372 -1.624 -10.874 1.00 64.00 H new ATOM 0 HZ3 TRP A 52 6.464 0.470 -8.537 1.00 21.55 H new ATOM 0 HH2 TRP A 52 8.552 0.450 -9.840 1.00 53.41 H new ATOM 825 N TRP A 53 3.270 -4.683 -5.440 1.00 64.52 N ATOM 826 CA TRP A 53 1.954 -4.817 -4.800 1.00 63.33 C ATOM 827 C TRP A 53 1.103 -3.556 -5.024 1.00 33.41 C ATOM 828 O TRP A 53 1.447 -2.471 -4.554 1.00 74.01 O ATOM 829 CB TRP A 53 2.115 -5.072 -3.291 1.00 24.22 C ATOM 830 CG TRP A 53 2.456 -6.495 -2.944 1.00 62.31 C ATOM 831 CD1 TRP A 53 3.425 -7.273 -3.508 1.00 43.54 C ATOM 832 CD2 TRP A 53 1.827 -7.302 -1.942 1.00 2.14 C ATOM 833 NE1 TRP A 53 3.430 -8.516 -2.921 1.00 4.23 N ATOM 834 CE2 TRP A 53 2.460 -8.557 -1.956 1.00 42.12 C ATOM 835 CE3 TRP A 53 0.786 -7.081 -1.031 1.00 34.34 C ATOM 836 CZ2 TRP A 53 2.087 -9.589 -1.098 1.00 44.42 C ATOM 837 CZ3 TRP A 53 0.418 -8.106 -0.179 1.00 14.03 C ATOM 838 CH2 TRP A 53 1.068 -9.346 -0.217 1.00 45.24 C ATOM 0 H TRP A 53 3.956 -4.174 -4.883 1.00 64.52 H new ATOM 0 HA TRP A 53 1.445 -5.667 -5.255 1.00 63.33 H new ATOM 0 HB2 TRP A 53 2.896 -4.417 -2.904 1.00 24.22 H new ATOM 0 HB3 TRP A 53 1.189 -4.798 -2.786 1.00 24.22 H new ATOM 0 HD1 TRP A 53 4.090 -6.959 -4.299 1.00 43.54 H new ATOM 0 HE1 TRP A 53 4.056 -9.284 -3.165 1.00 4.23 H new ATOM 0 HE3 TRP A 53 0.280 -6.127 -0.995 1.00 34.34 H new ATOM 0 HZ2 TRP A 53 2.584 -10.547 -1.127 1.00 44.42 H new ATOM 0 HZ3 TRP A 53 -0.384 -7.948 0.527 1.00 14.03 H new ATOM 0 HH2 TRP A 53 0.759 -10.126 0.463 1.00 45.24 H new ATOM 849 N LYS A 54 -0.006 -3.709 -5.743 1.00 41.53 N ATOM 850 CA LYS A 54 -0.918 -2.593 -6.024 1.00 62.14 C ATOM 851 C LYS A 54 -2.135 -2.638 -5.088 1.00 21.35 C ATOM 852 O LYS A 54 -2.936 -3.572 -5.143 1.00 42.31 O ATOM 853 CB LYS A 54 -1.376 -2.662 -7.489 1.00 24.03 C ATOM 854 CG LYS A 54 -2.184 -1.454 -7.957 1.00 71.52 C ATOM 855 CD LYS A 54 -2.770 -1.677 -9.350 1.00 52.33 C ATOM 856 CE LYS A 54 -3.414 -0.411 -9.904 1.00 1.31 C ATOM 857 NZ LYS A 54 -2.412 0.655 -10.165 1.00 14.04 N ATOM 0 H LYS A 54 -0.300 -4.599 -6.146 1.00 41.53 H new ATOM 0 HA LYS A 54 -0.390 -1.655 -5.852 1.00 62.14 H new ATOM 0 HB2 LYS A 54 -0.498 -2.765 -8.127 1.00 24.03 H new ATOM 0 HB3 LYS A 54 -1.977 -3.561 -7.627 1.00 24.03 H new ATOM 0 HG2 LYS A 54 -2.990 -1.258 -7.250 1.00 71.52 H new ATOM 0 HG3 LYS A 54 -1.546 -0.570 -7.967 1.00 71.52 H new ATOM 0 HD2 LYS A 54 -1.983 -2.010 -10.026 1.00 52.33 H new ATOM 0 HD3 LYS A 54 -3.512 -2.474 -9.308 1.00 52.33 H new ATOM 0 HE2 LYS A 54 -3.941 -0.647 -10.828 1.00 1.31 H new ATOM 0 HE3 LYS A 54 -4.158 -0.044 -9.197 1.00 1.31 H new ATOM 0 HZ1 LYS A 54 -2.841 1.399 -10.752 1.00 14.04 H new ATOM 0 HZ2 LYS A 54 -2.098 1.065 -9.262 1.00 14.04 H new ATOM 0 HZ3 LYS A 54 -1.595 0.249 -10.664 1.00 14.04 H new ATOM 871 N GLY A 55 -2.280 -1.625 -4.238 1.00 70.24 N ATOM 872 CA GLY A 55 -3.357 -1.622 -3.251 1.00 31.51 C ATOM 873 C GLY A 55 -4.257 -0.389 -3.314 1.00 70.23 C ATOM 874 O GLY A 55 -4.010 0.543 -4.080 1.00 23.52 O ATOM 0 H GLY A 55 -1.674 -0.805 -4.212 1.00 70.24 H new ATOM 0 HA2 GLY A 55 -3.969 -2.513 -3.394 1.00 31.51 H new ATOM 0 HA3 GLY A 55 -2.922 -1.691 -2.254 1.00 31.51 H new ATOM 878 N GLU A 56 -5.309 -0.395 -2.494 1.00 2.52 N ATOM 879 CA GLU A 56 -6.272 0.712 -2.432 1.00 75.35 C ATOM 880 C GLU A 56 -6.550 1.140 -0.982 1.00 11.44 C ATOM 881 O GLU A 56 -6.741 0.299 -0.098 1.00 25.45 O ATOM 882 CB GLU A 56 -7.595 0.301 -3.098 1.00 65.43 C ATOM 883 CG GLU A 56 -8.680 1.376 -3.036 1.00 52.12 C ATOM 884 CD GLU A 56 -10.013 0.899 -3.589 1.00 71.02 C ATOM 885 OE1 GLU A 56 -10.212 0.956 -4.821 1.00 55.20 O ATOM 886 OE2 GLU A 56 -10.873 0.469 -2.793 1.00 4.54 O ATOM 0 H GLU A 56 -5.519 -1.162 -1.856 1.00 2.52 H new ATOM 0 HA GLU A 56 -5.833 1.556 -2.964 1.00 75.35 H new ATOM 0 HB2 GLU A 56 -7.403 0.052 -4.142 1.00 65.43 H new ATOM 0 HB3 GLU A 56 -7.966 -0.604 -2.618 1.00 65.43 H new ATOM 0 HG2 GLU A 56 -8.813 1.692 -2.001 1.00 52.12 H new ATOM 0 HG3 GLU A 56 -8.351 2.251 -3.597 1.00 52.12 H new ATOM 893 N THR A 57 -6.566 2.453 -0.747 1.00 25.33 N ATOM 894 CA THR A 57 -6.966 3.018 0.552 1.00 54.12 C ATOM 895 C THR A 57 -8.151 3.979 0.378 1.00 34.13 C ATOM 896 O THR A 57 -8.687 4.121 -0.722 1.00 61.22 O ATOM 897 CB THR A 57 -5.808 3.796 1.233 1.00 53.12 C ATOM 898 OG1 THR A 57 -5.483 4.974 0.480 1.00 12.11 O ATOM 899 CG2 THR A 57 -4.564 2.927 1.368 1.00 1.44 C ATOM 0 H THR A 57 -6.305 3.153 -1.442 1.00 25.33 H new ATOM 0 HA THR A 57 -7.245 2.175 1.184 1.00 54.12 H new ATOM 0 HB THR A 57 -6.146 4.082 2.229 1.00 53.12 H new ATOM 0 HG1 THR A 57 -4.533 5.184 0.595 1.00 12.11 H new ATOM 0 HG21 THR A 57 -3.771 3.500 1.848 1.00 1.44 H new ATOM 0 HG22 THR A 57 -4.796 2.051 1.973 1.00 1.44 H new ATOM 0 HG23 THR A 57 -4.234 2.608 0.379 1.00 1.44 H new ATOM 907 N HIS A 58 -8.568 4.637 1.458 1.00 5.41 N ATOM 908 CA HIS A 58 -9.599 5.675 1.359 1.00 75.53 C ATOM 909 C HIS A 58 -8.988 6.991 0.845 1.00 54.34 C ATOM 910 O HIS A 58 -9.703 7.940 0.511 1.00 71.01 O ATOM 911 CB HIS A 58 -10.280 5.894 2.711 1.00 44.42 C ATOM 912 CG HIS A 58 -10.947 4.665 3.251 1.00 13.13 C ATOM 913 ND1 HIS A 58 -10.598 4.084 4.448 1.00 64.44 N ATOM 914 CD2 HIS A 58 -11.961 3.914 2.755 1.00 3.15 C ATOM 915 CE1 HIS A 58 -11.363 3.035 4.667 1.00 13.24 C ATOM 916 NE2 HIS A 58 -12.200 2.908 3.658 1.00 4.00 N ATOM 0 H HIS A 58 -8.215 4.475 2.401 1.00 5.41 H new ATOM 0 HA HIS A 58 -10.354 5.340 0.647 1.00 75.53 H new ATOM 0 HB2 HIS A 58 -9.538 6.241 3.430 1.00 44.42 H new ATOM 0 HB3 HIS A 58 -11.022 6.686 2.611 1.00 44.42 H new ATOM 0 HD2 HIS A 58 -12.483 4.077 1.824 1.00 3.15 H new ATOM 0 HE1 HIS A 58 -11.313 2.387 5.530 1.00 13.24 H new ATOM 0 HE2 HIS A 58 -12.909 2.181 3.563 1.00 4.00 H new ATOM 925 N GLN A 59 -7.658 7.034 0.791 1.00 35.44 N ATOM 926 CA GLN A 59 -6.925 8.187 0.261 1.00 3.03 C ATOM 927 C GLN A 59 -6.733 8.062 -1.259 1.00 25.24 C ATOM 928 O GLN A 59 -6.788 9.054 -1.986 1.00 44.30 O ATOM 929 CB GLN A 59 -5.565 8.299 0.968 1.00 65.44 C ATOM 930 CG GLN A 59 -5.686 8.519 2.472 1.00 12.23 C ATOM 931 CD GLN A 59 -4.357 8.401 3.198 1.00 44.12 C ATOM 932 OE1 GLN A 59 -3.977 7.330 3.655 1.00 64.41 O ATOM 933 NE2 GLN A 59 -3.642 9.500 3.314 1.00 22.04 N ATOM 0 H GLN A 59 -7.058 6.274 1.112 1.00 35.44 H new ATOM 0 HA GLN A 59 -7.504 9.091 0.451 1.00 3.03 H new ATOM 0 HB2 GLN A 59 -4.992 7.390 0.785 1.00 65.44 H new ATOM 0 HB3 GLN A 59 -5.002 9.124 0.531 1.00 65.44 H new ATOM 0 HG2 GLN A 59 -6.108 9.507 2.656 1.00 12.23 H new ATOM 0 HG3 GLN A 59 -6.385 7.792 2.885 1.00 12.23 H new ATOM 0 HE21 GLN A 59 -3.987 10.376 2.922 1.00 22.04 H new ATOM 0 HE22 GLN A 59 -2.743 9.475 3.796 1.00 22.04 H new ATOM 942 N GLY A 60 -6.512 6.834 -1.732 1.00 3.31 N ATOM 943 CA GLY A 60 -6.375 6.592 -3.165 1.00 23.23 C ATOM 944 C GLY A 60 -5.792 5.219 -3.492 1.00 75.32 C ATOM 945 O GLY A 60 -5.511 4.421 -2.596 1.00 45.21 O ATOM 0 H GLY A 60 -6.425 6.001 -1.149 1.00 3.31 H new ATOM 0 HA2 GLY A 60 -7.353 6.686 -3.638 1.00 23.23 H new ATOM 0 HA3 GLY A 60 -5.737 7.363 -3.597 1.00 23.23 H new ATOM 949 N ILE A 61 -5.619 4.939 -4.783 1.00 40.31 N ATOM 950 CA ILE A 61 -5.020 3.678 -5.232 1.00 71.11 C ATOM 951 C ILE A 61 -3.556 3.884 -5.647 1.00 11.24 C ATOM 952 O ILE A 61 -3.218 4.878 -6.295 1.00 20.11 O ATOM 953 CB ILE A 61 -5.803 3.067 -6.426 1.00 13.33 C ATOM 954 CG1 ILE A 61 -7.275 2.835 -6.044 1.00 61.40 C ATOM 955 CG2 ILE A 61 -5.155 1.760 -6.898 1.00 52.10 C ATOM 956 CD1 ILE A 61 -8.096 2.184 -7.141 1.00 2.32 C ATOM 0 H ILE A 61 -5.885 5.569 -5.540 1.00 40.31 H new ATOM 0 HA ILE A 61 -5.067 2.988 -4.390 1.00 71.11 H new ATOM 0 HB ILE A 61 -5.768 3.777 -7.252 1.00 13.33 H new ATOM 0 HG12 ILE A 61 -7.315 2.209 -5.153 1.00 61.40 H new ATOM 0 HG13 ILE A 61 -7.728 3.791 -5.783 1.00 61.40 H new ATOM 0 HG21 ILE A 61 -5.723 1.354 -7.735 1.00 52.10 H new ATOM 0 HG22 ILE A 61 -4.131 1.956 -7.216 1.00 52.10 H new ATOM 0 HG23 ILE A 61 -5.150 1.040 -6.079 1.00 52.10 H new ATOM 0 HD11 ILE A 61 -9.122 2.053 -6.798 1.00 2.32 H new ATOM 0 HD12 ILE A 61 -8.088 2.819 -8.027 1.00 2.32 H new ATOM 0 HD13 ILE A 61 -7.669 1.212 -7.387 1.00 2.32 H new ATOM 968 N GLY A 62 -2.693 2.946 -5.273 1.00 71.12 N ATOM 969 CA GLY A 62 -1.282 3.043 -5.620 1.00 43.44 C ATOM 970 C GLY A 62 -0.506 1.777 -5.283 1.00 70.35 C ATOM 971 O GLY A 62 -1.053 0.840 -4.700 1.00 12.24 O ATOM 0 H GLY A 62 -2.944 2.117 -4.734 1.00 71.12 H new ATOM 0 HA2 GLY A 62 -1.188 3.249 -6.686 1.00 43.44 H new ATOM 0 HA3 GLY A 62 -0.839 3.887 -5.092 1.00 43.44 H new ATOM 975 N LEU A 63 0.767 1.742 -5.654 1.00 60.21 N ATOM 976 CA LEU A 63 1.618 0.583 -5.381 1.00 70.01 C ATOM 977 C LEU A 63 2.515 0.825 -4.160 1.00 1.21 C ATOM 978 O LEU A 63 2.749 1.967 -3.761 1.00 24.22 O ATOM 979 CB LEU A 63 2.488 0.244 -6.606 1.00 25.31 C ATOM 980 CG LEU A 63 1.722 -0.224 -7.862 1.00 72.20 C ATOM 981 CD1 LEU A 63 0.923 0.919 -8.485 1.00 12.33 C ATOM 982 CD2 LEU A 63 2.679 -0.833 -8.884 1.00 30.11 C ATOM 0 H LEU A 63 1.237 2.502 -6.146 1.00 60.21 H new ATOM 0 HA LEU A 63 0.962 -0.260 -5.166 1.00 70.01 H new ATOM 0 HB2 LEU A 63 3.074 1.125 -6.868 1.00 25.31 H new ATOM 0 HB3 LEU A 63 3.195 -0.536 -6.322 1.00 25.31 H new ATOM 0 HG LEU A 63 1.015 -0.993 -7.551 1.00 72.20 H new ATOM 0 HD11 LEU A 63 0.396 0.556 -9.367 1.00 12.33 H new ATOM 0 HD12 LEU A 63 0.201 1.296 -7.760 1.00 12.33 H new ATOM 0 HD13 LEU A 63 1.601 1.722 -8.773 1.00 12.33 H new ATOM 0 HD21 LEU A 63 2.118 -1.156 -9.761 1.00 30.11 H new ATOM 0 HD22 LEU A 63 3.417 -0.088 -9.180 1.00 30.11 H new ATOM 0 HD23 LEU A 63 3.186 -1.691 -8.442 1.00 30.11 H new ATOM 994 N PHE A 64 2.996 -0.264 -3.565 1.00 25.43 N ATOM 995 CA PHE A 64 3.936 -0.192 -2.440 1.00 33.15 C ATOM 996 C PHE A 64 4.958 -1.348 -2.498 1.00 3.22 C ATOM 997 O PHE A 64 4.866 -2.317 -1.740 1.00 42.14 O ATOM 998 CB PHE A 64 3.181 -0.168 -1.094 1.00 62.41 C ATOM 999 CG PHE A 64 2.115 -1.231 -0.938 1.00 32.14 C ATOM 1000 CD1 PHE A 64 0.861 -1.065 -1.513 1.00 35.42 C ATOM 1001 CD2 PHE A 64 2.361 -2.388 -0.211 1.00 74.11 C ATOM 1002 CE1 PHE A 64 -0.121 -2.026 -1.361 1.00 24.40 C ATOM 1003 CE2 PHE A 64 1.383 -3.351 -0.061 1.00 55.24 C ATOM 1004 CZ PHE A 64 0.141 -3.172 -0.637 1.00 42.41 C ATOM 0 H PHE A 64 2.751 -1.214 -3.843 1.00 25.43 H new ATOM 0 HA PHE A 64 4.494 0.741 -2.521 1.00 33.15 H new ATOM 0 HB2 PHE A 64 3.905 -0.280 -0.287 1.00 62.41 H new ATOM 0 HB3 PHE A 64 2.717 0.811 -0.973 1.00 62.41 H new ATOM 0 HD1 PHE A 64 0.651 -0.174 -2.086 1.00 35.42 H new ATOM 0 HD2 PHE A 64 3.330 -2.537 0.243 1.00 74.11 H new ATOM 0 HE1 PHE A 64 -1.093 -1.880 -1.809 1.00 24.40 H new ATOM 0 HE2 PHE A 64 1.590 -4.246 0.508 1.00 55.24 H new ATOM 0 HZ PHE A 64 -0.623 -3.926 -0.522 1.00 42.41 H new ATOM 1014 N PRO A 65 5.946 -1.255 -3.417 1.00 30.20 N ATOM 1015 CA PRO A 65 6.958 -2.313 -3.632 1.00 1.35 C ATOM 1016 C PRO A 65 7.679 -2.756 -2.345 1.00 72.14 C ATOM 1017 O PRO A 65 7.888 -3.953 -2.118 1.00 1.40 O ATOM 1018 CB PRO A 65 7.952 -1.658 -4.606 1.00 53.42 C ATOM 1019 CG PRO A 65 7.143 -0.641 -5.335 1.00 4.41 C ATOM 1020 CD PRO A 65 6.150 -0.112 -4.335 1.00 4.44 C ATOM 0 HA PRO A 65 6.497 -3.228 -4.005 1.00 1.35 H new ATOM 0 HB2 PRO A 65 8.784 -1.197 -4.074 1.00 53.42 H new ATOM 0 HB3 PRO A 65 8.379 -2.391 -5.291 1.00 53.42 H new ATOM 0 HG2 PRO A 65 7.775 0.160 -5.719 1.00 4.41 H new ATOM 0 HG3 PRO A 65 6.636 -1.085 -6.192 1.00 4.41 H new ATOM 0 HD2 PRO A 65 6.536 0.762 -3.809 1.00 4.44 H new ATOM 0 HD3 PRO A 65 5.219 0.190 -4.814 1.00 4.44 H new ATOM 1028 N SER A 66 8.059 -1.788 -1.507 1.00 64.13 N ATOM 1029 CA SER A 66 8.765 -2.076 -0.244 1.00 24.54 C ATOM 1030 C SER A 66 7.912 -2.940 0.701 1.00 52.32 C ATOM 1031 O SER A 66 8.442 -3.634 1.565 1.00 62.14 O ATOM 1032 CB SER A 66 9.152 -0.770 0.467 1.00 42.23 C ATOM 1033 OG SER A 66 9.963 0.053 -0.360 1.00 50.03 O ATOM 0 H SER A 66 7.892 -0.796 -1.675 1.00 64.13 H new ATOM 0 HA SER A 66 9.666 -2.634 -0.499 1.00 24.54 H new ATOM 0 HB2 SER A 66 8.250 -0.227 0.749 1.00 42.23 H new ATOM 0 HB3 SER A 66 9.687 -1.001 1.388 1.00 42.23 H new ATOM 0 HG SER A 66 10.191 0.876 0.120 1.00 50.03 H new ATOM 1039 N ASN A 67 6.591 -2.883 0.521 1.00 31.12 N ATOM 1040 CA ASN A 67 5.638 -3.655 1.331 1.00 2.51 C ATOM 1041 C ASN A 67 5.827 -3.405 2.846 1.00 63.04 C ATOM 1042 O ASN A 67 6.399 -4.222 3.565 1.00 61.03 O ATOM 1043 CB ASN A 67 5.738 -5.154 1.011 1.00 72.22 C ATOM 1044 CG ASN A 67 4.558 -5.942 1.556 1.00 75.24 C ATOM 1045 OD1 ASN A 67 4.564 -6.387 2.696 1.00 61.51 O ATOM 1046 ND2 ASN A 67 3.535 -6.122 0.743 1.00 1.44 N ATOM 0 H ASN A 67 6.148 -2.301 -0.190 1.00 31.12 H new ATOM 0 HA ASN A 67 4.638 -3.309 1.068 1.00 2.51 H new ATOM 0 HB2 ASN A 67 5.794 -5.289 -0.069 1.00 72.22 H new ATOM 0 HB3 ASN A 67 6.662 -5.552 1.431 1.00 72.22 H new ATOM 0 HD21 ASN A 67 2.718 -6.645 1.059 1.00 1.44 H new ATOM 0 HD22 ASN A 67 3.561 -5.738 -0.202 1.00 1.44 H new ATOM 1053 N PHE A 68 5.348 -2.258 3.309 1.00 25.41 N ATOM 1054 CA PHE A 68 5.423 -1.877 4.734 1.00 61.22 C ATOM 1055 C PHE A 68 4.106 -2.209 5.459 1.00 34.40 C ATOM 1056 O PHE A 68 3.639 -1.459 6.323 1.00 3.14 O ATOM 1057 CB PHE A 68 5.763 -0.376 4.855 1.00 52.13 C ATOM 1058 CG PHE A 68 5.446 0.425 3.613 1.00 14.33 C ATOM 1059 CD1 PHE A 68 4.133 0.638 3.220 1.00 74.13 C ATOM 1060 CD2 PHE A 68 6.467 0.946 2.827 1.00 51.03 C ATOM 1061 CE1 PHE A 68 3.847 1.347 2.073 1.00 10.51 C ATOM 1062 CE2 PHE A 68 6.182 1.660 1.681 1.00 53.31 C ATOM 1063 CZ PHE A 68 4.871 1.861 1.303 1.00 34.24 C ATOM 0 H PHE A 68 4.896 -1.560 2.719 1.00 25.41 H new ATOM 0 HA PHE A 68 6.215 -2.453 5.214 1.00 61.22 H new ATOM 0 HB2 PHE A 68 5.213 0.044 5.697 1.00 52.13 H new ATOM 0 HB3 PHE A 68 6.824 -0.271 5.083 1.00 52.13 H new ATOM 0 HD1 PHE A 68 3.326 0.244 3.819 1.00 74.13 H new ATOM 0 HD2 PHE A 68 7.496 0.790 3.117 1.00 51.03 H new ATOM 0 HE1 PHE A 68 2.820 1.501 1.776 1.00 10.51 H new ATOM 0 HE2 PHE A 68 6.985 2.061 1.081 1.00 53.31 H new ATOM 0 HZ PHE A 68 4.646 2.419 0.406 1.00 34.24 H new ATOM 1073 N VAL A 69 3.538 -3.361 5.118 1.00 12.32 N ATOM 1074 CA VAL A 69 2.250 -3.804 5.662 1.00 50.42 C ATOM 1075 C VAL A 69 2.325 -5.263 6.154 1.00 73.22 C ATOM 1076 O VAL A 69 3.306 -5.962 5.899 1.00 34.11 O ATOM 1077 CB VAL A 69 1.130 -3.689 4.593 1.00 72.31 C ATOM 1078 CG1 VAL A 69 0.884 -2.227 4.209 1.00 21.21 C ATOM 1079 CG2 VAL A 69 1.487 -4.514 3.359 1.00 24.11 C ATOM 0 H VAL A 69 3.954 -4.017 4.457 1.00 12.32 H new ATOM 0 HA VAL A 69 2.016 -3.154 6.505 1.00 50.42 H new ATOM 0 HB VAL A 69 0.209 -4.083 5.022 1.00 72.31 H new ATOM 0 HG11 VAL A 69 0.095 -2.176 3.459 1.00 21.21 H new ATOM 0 HG12 VAL A 69 0.582 -1.665 5.093 1.00 21.21 H new ATOM 0 HG13 VAL A 69 1.800 -1.799 3.802 1.00 21.21 H new ATOM 0 HG21 VAL A 69 0.692 -4.423 2.618 1.00 24.11 H new ATOM 0 HG22 VAL A 69 2.422 -4.148 2.935 1.00 24.11 H new ATOM 0 HG23 VAL A 69 1.602 -5.560 3.642 1.00 24.11 H new ATOM 1089 N THR A 70 1.289 -5.715 6.858 1.00 30.35 N ATOM 1090 CA THR A 70 1.210 -7.109 7.331 1.00 42.34 C ATOM 1091 C THR A 70 -0.205 -7.681 7.163 1.00 51.15 C ATOM 1092 O THR A 70 -1.170 -6.937 6.977 1.00 21.31 O ATOM 1093 CB THR A 70 1.625 -7.243 8.819 1.00 11.42 C ATOM 1094 OG1 THR A 70 1.536 -8.617 9.240 1.00 3.24 O ATOM 1095 CG2 THR A 70 0.746 -6.378 9.720 1.00 61.35 C ATOM 0 H THR A 70 0.487 -5.140 7.117 1.00 30.35 H new ATOM 0 HA THR A 70 1.909 -7.675 6.715 1.00 42.34 H new ATOM 0 HB THR A 70 2.656 -6.900 8.907 1.00 11.42 H new ATOM 0 HG1 THR A 70 1.802 -8.689 10.180 1.00 3.24 H new ATOM 0 HG21 THR A 70 1.062 -6.494 10.757 1.00 61.35 H new ATOM 0 HG22 THR A 70 0.841 -5.333 9.426 1.00 61.35 H new ATOM 0 HG23 THR A 70 -0.294 -6.689 9.621 1.00 61.35 H new ATOM 1103 N ALA A 71 -0.328 -9.003 7.236 1.00 65.10 N ATOM 1104 CA ALA A 71 -1.623 -9.674 7.073 1.00 52.11 C ATOM 1105 C ALA A 71 -2.149 -10.226 8.408 1.00 70.15 C ATOM 1106 O ALA A 71 -1.696 -11.270 8.885 1.00 31.52 O ATOM 1107 CB ALA A 71 -1.507 -10.792 6.039 1.00 2.24 C ATOM 0 H ALA A 71 0.453 -9.636 7.407 1.00 65.10 H new ATOM 0 HA ALA A 71 -2.342 -8.935 6.720 1.00 52.11 H new ATOM 0 HB1 ALA A 71 -2.473 -11.284 5.925 1.00 2.24 H new ATOM 0 HB2 ALA A 71 -1.199 -10.372 5.082 1.00 2.24 H new ATOM 0 HB3 ALA A 71 -0.766 -11.519 6.371 1.00 2.24 H new