USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.117 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.136 K(o=0.14,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.0608 (180deg=-0.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -34:sc= 0.895 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.778 K(o=-0.78,f=-2.6!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 56 THR OG1 : rot -74:sc= 1.37 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.4 K(o=-1.4,f=-4!) USER MOD Single : A 68 SER OG : rot -21:sc= 0.938 USER MOD Single : A 80 THR OG1 : rot -159:sc= 1.2 USER MOD Single : A 82 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.8) USER MOD Single : A 85 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.066 -12.436 -0.188 1.00 21.24 N ATOM 290 CA LEU A 18 -6.080 -11.506 0.378 1.00 52.55 C ATOM 291 C LEU A 18 -4.993 -12.257 1.161 1.00 60.24 C ATOM 292 O LEU A 18 -5.141 -13.439 1.479 1.00 44.44 O ATOM 293 CB LEU A 18 -6.780 -10.496 1.306 1.00 40.25 C ATOM 294 CG LEU A 18 -7.800 -9.570 0.622 1.00 45.22 C ATOM 295 CD1 LEU A 18 -8.504 -8.688 1.650 1.00 13.22 C ATOM 296 CD2 LEU A 18 -7.114 -8.712 -0.441 1.00 42.35 C ATOM 0 HA LEU A 18 -5.605 -10.976 -0.448 1.00 52.55 H new ATOM 0 HB2 LEU A 18 -7.288 -11.047 2.097 1.00 40.25 H new ATOM 0 HB3 LEU A 18 -6.019 -9.880 1.785 1.00 40.25 H new ATOM 0 HG LEU A 18 -8.552 -10.190 0.134 1.00 45.22 H new ATOM 0 HD11 LEU A 18 -9.221 -8.041 1.144 1.00 13.22 H new ATOM 0 HD12 LEU A 18 -9.027 -9.316 2.371 1.00 13.22 H new ATOM 0 HD13 LEU A 18 -7.767 -8.076 2.170 1.00 13.22 H new ATOM 0 HD21 LEU A 18 -7.850 -8.063 -0.915 1.00 42.35 H new ATOM 0 HD22 LEU A 18 -6.340 -8.103 0.027 1.00 42.35 H new ATOM 0 HD23 LEU A 18 -6.662 -9.358 -1.194 1.00 42.35 H new ATOM 308 N SER A 19 -3.899 -11.567 1.462 1.00 61.51 N ATOM 309 CA SER A 19 -2.799 -12.141 2.255 1.00 71.43 C ATOM 310 C SER A 19 -2.097 -11.055 3.074 1.00 30.35 C ATOM 311 O SER A 19 -2.245 -9.865 2.800 1.00 22.11 O ATOM 312 CB SER A 19 -1.779 -12.839 1.342 1.00 74.12 C ATOM 313 OG SER A 19 -2.366 -13.914 0.623 1.00 12.44 O ATOM 0 H SER A 19 -3.742 -10.602 1.170 1.00 61.51 H new ATOM 0 HA SER A 19 -3.227 -12.876 2.936 1.00 71.43 H new ATOM 0 HB2 SER A 19 -1.364 -12.116 0.640 1.00 74.12 H new ATOM 0 HB3 SER A 19 -0.949 -13.213 1.942 1.00 74.12 H new ATOM 0 HG SER A 19 -1.689 -14.334 0.052 1.00 12.44 H new ATOM 319 N LEU A 20 -1.332 -11.461 4.079 1.00 44.11 N ATOM 320 CA LEU A 20 -0.584 -10.508 4.905 1.00 30.51 C ATOM 321 C LEU A 20 0.710 -10.090 4.186 1.00 52.21 C ATOM 322 O LEU A 20 1.559 -10.925 3.876 1.00 61.32 O ATOM 323 CB LEU A 20 -0.281 -11.136 6.282 1.00 72.53 C ATOM 324 CG LEU A 20 0.133 -10.164 7.411 1.00 63.32 C ATOM 325 CD1 LEU A 20 1.540 -9.606 7.199 1.00 50.01 C ATOM 326 CD2 LEU A 20 -0.882 -9.030 7.547 1.00 1.30 C ATOM 0 H LEU A 20 -1.210 -12.438 4.345 1.00 44.11 H new ATOM 0 HA LEU A 20 -1.185 -9.613 5.063 1.00 30.51 H new ATOM 0 HB2 LEU A 20 -1.166 -11.681 6.610 1.00 72.53 H new ATOM 0 HB3 LEU A 20 0.516 -11.869 6.154 1.00 72.53 H new ATOM 0 HG LEU A 20 0.147 -10.734 8.340 1.00 63.32 H new ATOM 0 HD11 LEU A 20 1.789 -8.928 8.015 1.00 50.01 H new ATOM 0 HD12 LEU A 20 2.257 -10.426 7.177 1.00 50.01 H new ATOM 0 HD13 LEU A 20 1.578 -9.065 6.254 1.00 50.01 H new ATOM 0 HD21 LEU A 20 -0.572 -8.358 8.347 1.00 1.30 H new ATOM 0 HD22 LEU A 20 -0.938 -8.477 6.609 1.00 1.30 H new ATOM 0 HD23 LEU A 20 -1.862 -9.445 7.782 1.00 1.30 H new ATOM 338 N LEU A 21 0.855 -8.792 3.918 1.00 72.03 N ATOM 339 CA LEU A 21 2.030 -8.279 3.204 1.00 44.10 C ATOM 340 C LEU A 21 3.291 -8.337 4.080 1.00 5.11 C ATOM 341 O LEU A 21 3.363 -7.695 5.130 1.00 31.41 O ATOM 342 CB LEU A 21 1.765 -6.842 2.730 1.00 43.34 C ATOM 343 CG LEU A 21 2.896 -6.187 1.917 1.00 4.44 C ATOM 344 CD1 LEU A 21 3.263 -7.043 0.707 1.00 50.32 C ATOM 345 CD2 LEU A 21 2.489 -4.784 1.473 1.00 53.01 C ATOM 0 H LEU A 21 0.177 -8.077 4.182 1.00 72.03 H new ATOM 0 HA LEU A 21 2.207 -8.915 2.336 1.00 44.10 H new ATOM 0 HB2 LEU A 21 0.859 -6.840 2.124 1.00 43.34 H new ATOM 0 HB3 LEU A 21 1.565 -6.222 3.604 1.00 43.34 H new ATOM 0 HG LEU A 21 3.774 -6.109 2.558 1.00 4.44 H new ATOM 0 HD11 LEU A 21 4.064 -6.559 0.149 1.00 50.32 H new ATOM 0 HD12 LEU A 21 3.597 -8.025 1.043 1.00 50.32 H new ATOM 0 HD13 LEU A 21 2.390 -7.157 0.064 1.00 50.32 H new ATOM 0 HD21 LEU A 21 3.300 -4.334 0.899 1.00 53.01 H new ATOM 0 HD22 LEU A 21 1.595 -4.844 0.852 1.00 53.01 H new ATOM 0 HD23 LEU A 21 2.282 -4.171 2.350 1.00 53.01 H new ATOM 357 N GLU A 22 4.279 -9.123 3.647 1.00 63.04 N ATOM 358 CA GLU A 22 5.531 -9.265 4.397 1.00 45.44 C ATOM 359 C GLU A 22 6.284 -7.928 4.482 1.00 55.53 C ATOM 360 O GLU A 22 6.277 -7.139 3.538 1.00 14.33 O ATOM 361 CB GLU A 22 6.430 -10.356 3.780 1.00 2.02 C ATOM 362 CG GLU A 22 7.006 -10.031 2.401 1.00 53.25 C ATOM 363 CD GLU A 22 5.962 -9.965 1.295 1.00 22.04 C ATOM 364 OE1 GLU A 22 5.015 -10.784 1.303 1.00 3.45 O ATOM 365 OE2 GLU A 22 6.095 -9.104 0.401 1.00 5.41 O ATOM 0 H GLU A 22 4.238 -9.668 2.786 1.00 63.04 H new ATOM 0 HA GLU A 22 5.272 -9.572 5.410 1.00 45.44 H new ATOM 0 HB2 GLU A 22 7.257 -10.551 4.463 1.00 2.02 H new ATOM 0 HB3 GLU A 22 5.854 -11.278 3.706 1.00 2.02 H new ATOM 0 HG2 GLU A 22 7.527 -9.075 2.452 1.00 53.25 H new ATOM 0 HG3 GLU A 22 7.749 -10.786 2.141 1.00 53.25 H new ATOM 372 N SER A 23 6.942 -7.679 5.618 1.00 42.15 N ATOM 373 CA SER A 23 7.633 -6.397 5.867 1.00 75.44 C ATOM 374 C SER A 23 8.640 -6.042 4.761 1.00 41.44 C ATOM 375 O SER A 23 9.005 -4.878 4.594 1.00 23.22 O ATOM 376 CB SER A 23 8.355 -6.431 7.221 1.00 31.23 C ATOM 377 OG SER A 23 9.387 -7.402 7.226 1.00 30.41 O ATOM 0 H SER A 23 7.014 -8.347 6.386 1.00 42.15 H new ATOM 0 HA SER A 23 6.863 -5.626 5.874 1.00 75.44 H new ATOM 0 HB2 SER A 23 8.775 -5.449 7.437 1.00 31.23 H new ATOM 0 HB3 SER A 23 7.639 -6.653 8.013 1.00 31.23 H new ATOM 0 HG SER A 23 9.832 -7.402 8.099 1.00 30.41 H new ATOM 383 N LYS A 24 9.088 -7.051 4.014 1.00 43.21 N ATOM 384 CA LYS A 24 10.034 -6.842 2.913 1.00 51.13 C ATOM 385 C LYS A 24 9.342 -6.194 1.697 1.00 63.54 C ATOM 386 O LYS A 24 9.928 -5.363 1.004 1.00 52.21 O ATOM 387 CB LYS A 24 10.708 -8.173 2.530 1.00 31.10 C ATOM 388 CG LYS A 24 11.792 -8.628 3.519 1.00 55.42 C ATOM 389 CD LYS A 24 11.261 -8.757 4.951 1.00 12.45 C ATOM 390 CE LYS A 24 12.370 -9.054 5.958 1.00 73.23 C ATOM 391 NZ LYS A 24 12.953 -10.407 5.770 1.00 73.52 N ATOM 0 H LYS A 24 8.812 -8.023 4.150 1.00 43.21 H new ATOM 0 HA LYS A 24 10.807 -6.151 3.250 1.00 51.13 H new ATOM 0 HB2 LYS A 24 9.945 -8.948 2.460 1.00 31.10 H new ATOM 0 HB3 LYS A 24 11.152 -8.072 1.540 1.00 31.10 H new ATOM 0 HG2 LYS A 24 12.194 -9.588 3.196 1.00 55.42 H new ATOM 0 HG3 LYS A 24 12.616 -7.915 3.503 1.00 55.42 H new ATOM 0 HD2 LYS A 24 10.756 -7.833 5.233 1.00 12.45 H new ATOM 0 HD3 LYS A 24 10.516 -9.552 4.989 1.00 12.45 H new ATOM 0 HE2 LYS A 24 13.156 -8.305 5.861 1.00 73.23 H new ATOM 0 HE3 LYS A 24 11.972 -8.969 6.969 1.00 73.23 H new ATOM 0 HZ1 LYS A 24 13.701 -10.564 6.475 1.00 73.52 H new ATOM 0 HZ2 LYS A 24 12.210 -11.125 5.888 1.00 73.52 H new ATOM 0 HZ3 LYS A 24 13.357 -10.481 4.815 1.00 73.52 H new ATOM 405 N GLY A 25 8.101 -6.590 1.429 1.00 22.24 N ATOM 406 CA GLY A 25 7.283 -5.876 0.453 1.00 63.00 C ATOM 407 C GLY A 25 6.740 -4.569 1.025 1.00 54.13 C ATOM 408 O GLY A 25 6.807 -3.513 0.394 1.00 21.34 O ATOM 0 H GLY A 25 7.644 -7.390 1.867 1.00 22.24 H new ATOM 0 HA2 GLY A 25 7.877 -5.666 -0.436 1.00 63.00 H new ATOM 0 HA3 GLY A 25 6.453 -6.509 0.140 1.00 63.00 H new ATOM 412 N LEU A 26 6.221 -4.659 2.252 1.00 70.14 N ATOM 413 CA LEU A 26 5.614 -3.524 2.963 1.00 13.44 C ATOM 414 C LEU A 26 6.553 -2.309 3.046 1.00 34.31 C ATOM 415 O LEU A 26 6.108 -1.157 2.947 1.00 23.30 O ATOM 416 CB LEU A 26 5.206 -3.965 4.375 1.00 2.24 C ATOM 417 CG LEU A 26 4.442 -2.919 5.204 1.00 43.53 C ATOM 418 CD1 LEU A 26 3.110 -2.569 4.543 1.00 65.54 C ATOM 419 CD2 LEU A 26 4.225 -3.422 6.629 1.00 11.03 C ATOM 0 H LEU A 26 6.209 -5.527 2.787 1.00 70.14 H new ATOM 0 HA LEU A 26 4.737 -3.212 2.395 1.00 13.44 H new ATOM 0 HB2 LEU A 26 4.588 -4.859 4.292 1.00 2.24 H new ATOM 0 HB3 LEU A 26 6.105 -4.249 4.921 1.00 2.24 H new ATOM 0 HG LEU A 26 5.044 -2.011 5.249 1.00 43.53 H new ATOM 0 HD11 LEU A 26 2.588 -1.827 5.147 1.00 65.54 H new ATOM 0 HD12 LEU A 26 3.293 -2.163 3.548 1.00 65.54 H new ATOM 0 HD13 LEU A 26 2.498 -3.467 4.461 1.00 65.54 H new ATOM 0 HD21 LEU A 26 3.683 -2.670 7.202 1.00 11.03 H new ATOM 0 HD22 LEU A 26 3.647 -4.346 6.605 1.00 11.03 H new ATOM 0 HD23 LEU A 26 5.190 -3.610 7.099 1.00 11.03 H new ATOM 431 N GLU A 27 7.847 -2.557 3.238 1.00 32.50 N ATOM 432 CA GLU A 27 8.829 -1.471 3.291 1.00 61.32 C ATOM 433 C GLU A 27 8.798 -0.646 1.995 1.00 52.44 C ATOM 434 O GLU A 27 8.850 0.579 2.036 1.00 71.33 O ATOM 435 CB GLU A 27 10.248 -2.012 3.539 1.00 73.43 C ATOM 436 CG GLU A 27 10.827 -2.815 2.377 1.00 71.33 C ATOM 437 CD GLU A 27 12.220 -3.349 2.669 1.00 24.34 C ATOM 438 OE1 GLU A 27 13.191 -2.566 2.607 1.00 4.50 O ATOM 439 OE2 GLU A 27 12.356 -4.547 2.976 1.00 25.35 O ATOM 0 H GLU A 27 8.239 -3.491 3.359 1.00 32.50 H new ATOM 0 HA GLU A 27 8.560 -0.825 4.126 1.00 61.32 H new ATOM 0 HB2 GLU A 27 10.911 -1.174 3.752 1.00 73.43 H new ATOM 0 HB3 GLU A 27 10.234 -2.642 4.429 1.00 73.43 H new ATOM 0 HG2 GLU A 27 10.163 -3.649 2.151 1.00 71.33 H new ATOM 0 HG3 GLU A 27 10.863 -2.185 1.488 1.00 71.33 H new ATOM 446 N ALA A 28 8.670 -1.323 0.851 1.00 32.41 N ATOM 447 CA ALA A 28 8.628 -0.648 -0.451 1.00 65.04 C ATOM 448 C ALA A 28 7.483 0.370 -0.514 1.00 21.10 C ATOM 449 O ALA A 28 7.631 1.458 -1.080 1.00 11.34 O ATOM 450 CB ALA A 28 8.485 -1.669 -1.571 1.00 0.34 C ATOM 0 H ALA A 28 8.594 -2.339 0.799 1.00 32.41 H new ATOM 0 HA ALA A 28 9.566 -0.108 -0.579 1.00 65.04 H new ATOM 0 HB1 ALA A 28 8.455 -1.154 -2.531 1.00 0.34 H new ATOM 0 HB2 ALA A 28 9.335 -2.352 -1.552 1.00 0.34 H new ATOM 0 HB3 ALA A 28 7.563 -2.233 -1.433 1.00 0.34 H new ATOM 456 N LEU A 29 6.348 0.006 0.078 1.00 65.30 N ATOM 457 CA LEU A 29 5.213 0.925 0.210 1.00 74.45 C ATOM 458 C LEU A 29 5.621 2.165 1.016 1.00 30.53 C ATOM 459 O LEU A 29 5.422 3.295 0.575 1.00 62.21 O ATOM 460 CB LEU A 29 4.014 0.225 0.883 1.00 3.15 C ATOM 461 CG LEU A 29 3.239 -0.782 0.007 1.00 21.13 C ATOM 462 CD1 LEU A 29 2.646 -0.091 -1.217 1.00 61.34 C ATOM 463 CD2 LEU A 29 4.123 -1.956 -0.409 1.00 20.30 C ATOM 0 H LEU A 29 6.187 -0.919 0.475 1.00 65.30 H new ATOM 0 HA LEU A 29 4.911 1.237 -0.790 1.00 74.45 H new ATOM 0 HB2 LEU A 29 4.374 -0.297 1.769 1.00 3.15 H new ATOM 0 HB3 LEU A 29 3.317 0.990 1.225 1.00 3.15 H new ATOM 0 HG LEU A 29 2.420 -1.180 0.607 1.00 21.13 H new ATOM 0 HD11 LEU A 29 2.104 -0.820 -1.820 1.00 61.34 H new ATOM 0 HD12 LEU A 29 1.962 0.694 -0.896 1.00 61.34 H new ATOM 0 HD13 LEU A 29 3.448 0.347 -1.811 1.00 61.34 H new ATOM 0 HD21 LEU A 29 3.546 -2.646 -1.025 1.00 20.30 H new ATOM 0 HD22 LEU A 29 4.975 -1.586 -0.980 1.00 20.30 H new ATOM 0 HD23 LEU A 29 4.480 -2.475 0.480 1.00 20.30 H new ATOM 475 N ASN A 30 6.224 1.941 2.186 1.00 31.31 N ATOM 476 CA ASN A 30 6.681 3.045 3.047 1.00 12.42 C ATOM 477 C ASN A 30 7.729 3.932 2.347 1.00 23.02 C ATOM 478 O ASN A 30 7.694 5.156 2.470 1.00 34.12 O ATOM 479 CB ASN A 30 7.237 2.507 4.372 1.00 52.21 C ATOM 480 CG ASN A 30 6.144 1.932 5.257 1.00 64.33 C ATOM 481 OD1 ASN A 30 5.500 2.653 6.010 1.00 11.44 O ATOM 482 ND2 ASN A 30 5.928 0.634 5.179 1.00 51.35 N ATOM 0 H ASN A 30 6.409 1.011 2.562 1.00 31.31 H new ATOM 0 HA ASN A 30 5.811 3.668 3.255 1.00 12.42 H new ATOM 0 HB2 ASN A 30 7.980 1.736 4.167 1.00 52.21 H new ATOM 0 HB3 ASN A 30 7.748 3.310 4.903 1.00 52.21 H new ATOM 0 HD21 ASN A 30 5.207 0.201 5.756 1.00 51.35 H new ATOM 0 HD22 ASN A 30 6.482 0.062 4.542 1.00 51.35 H new ATOM 489 N LYS A 31 8.658 3.320 1.612 1.00 71.23 N ATOM 490 CA LYS A 31 9.641 4.079 0.823 1.00 72.23 C ATOM 491 C LYS A 31 8.946 4.910 -0.267 1.00 43.43 C ATOM 492 O LYS A 31 9.345 6.039 -0.553 1.00 21.41 O ATOM 493 CB LYS A 31 10.690 3.144 0.191 1.00 21.04 C ATOM 494 CG LYS A 31 11.840 2.759 1.127 1.00 2.51 C ATOM 495 CD LYS A 31 11.365 1.975 2.348 1.00 72.03 C ATOM 496 CE LYS A 31 12.493 1.715 3.337 1.00 44.41 C ATOM 497 NZ LYS A 31 13.042 2.980 3.889 1.00 63.53 N ATOM 0 H LYS A 31 8.754 2.307 1.544 1.00 71.23 H new ATOM 0 HA LYS A 31 10.154 4.758 1.504 1.00 72.23 H new ATOM 0 HB2 LYS A 31 10.192 2.235 -0.146 1.00 21.04 H new ATOM 0 HB3 LYS A 31 11.104 3.628 -0.694 1.00 21.04 H new ATOM 0 HG2 LYS A 31 12.567 2.162 0.577 1.00 2.51 H new ATOM 0 HG3 LYS A 31 12.353 3.662 1.457 1.00 2.51 H new ATOM 0 HD2 LYS A 31 10.568 2.528 2.845 1.00 72.03 H new ATOM 0 HD3 LYS A 31 10.940 1.024 2.025 1.00 72.03 H new ATOM 0 HE2 LYS A 31 12.126 1.091 4.152 1.00 44.41 H new ATOM 0 HE3 LYS A 31 13.289 1.158 2.843 1.00 44.41 H new ATOM 0 HZ1 LYS A 31 13.604 2.773 4.739 1.00 63.53 H new ATOM 0 HZ2 LYS A 31 13.647 3.436 3.177 1.00 63.53 H new ATOM 0 HZ3 LYS A 31 12.260 3.618 4.138 1.00 63.53 H new ATOM 511 N ALA A 32 7.904 4.343 -0.873 1.00 31.10 N ATOM 512 CA ALA A 32 7.092 5.066 -1.856 1.00 61.41 C ATOM 513 C ALA A 32 6.303 6.207 -1.189 1.00 44.32 C ATOM 514 O ALA A 32 6.056 7.251 -1.800 1.00 21.44 O ATOM 515 CB ALA A 32 6.152 4.101 -2.568 1.00 31.22 C ATOM 0 H ALA A 32 7.600 3.384 -0.702 1.00 31.10 H new ATOM 0 HA ALA A 32 7.759 5.512 -2.594 1.00 61.41 H new ATOM 0 HB1 ALA A 32 5.553 4.647 -3.296 1.00 31.22 H new ATOM 0 HB2 ALA A 32 6.735 3.335 -3.079 1.00 31.22 H new ATOM 0 HB3 ALA A 32 5.494 3.629 -1.838 1.00 31.22 H new ATOM 521 N ILE A 33 5.907 5.987 0.066 1.00 52.43 N ATOM 522 CA ILE A 33 5.249 7.016 0.883 1.00 23.54 C ATOM 523 C ILE A 33 6.198 8.196 1.146 1.00 42.04 C ATOM 524 O ILE A 33 5.843 9.353 0.924 1.00 15.53 O ATOM 525 CB ILE A 33 4.764 6.420 2.234 1.00 23.40 C ATOM 526 CG1 ILE A 33 3.633 5.404 1.998 1.00 73.32 C ATOM 527 CG2 ILE A 33 4.310 7.515 3.194 1.00 72.13 C ATOM 528 CD1 ILE A 33 3.160 4.706 3.258 1.00 63.52 C ATOM 0 H ILE A 33 6.031 5.095 0.546 1.00 52.43 H new ATOM 0 HA ILE A 33 4.384 7.379 0.327 1.00 23.54 H new ATOM 0 HB ILE A 33 5.607 5.904 2.694 1.00 23.40 H new ATOM 0 HG12 ILE A 33 2.787 5.917 1.539 1.00 73.32 H new ATOM 0 HG13 ILE A 33 3.975 4.653 1.285 1.00 73.32 H new ATOM 0 HG21 ILE A 33 3.977 7.064 4.129 1.00 72.13 H new ATOM 0 HG22 ILE A 33 5.141 8.192 3.393 1.00 72.13 H new ATOM 0 HG23 ILE A 33 3.487 8.073 2.747 1.00 72.13 H new ATOM 0 HD11 ILE A 33 2.362 4.006 3.009 1.00 63.52 H new ATOM 0 HD12 ILE A 33 3.992 4.163 3.707 1.00 63.52 H new ATOM 0 HD13 ILE A 33 2.785 5.446 3.965 1.00 63.52 H new ATOM 540 N VAL A 34 7.416 7.888 1.600 1.00 4.12 N ATOM 541 CA VAL A 34 8.440 8.914 1.839 1.00 23.43 C ATOM 542 C VAL A 34 8.802 9.632 0.530 1.00 41.24 C ATOM 543 O VAL A 34 9.020 10.845 0.501 1.00 51.42 O ATOM 544 CB VAL A 34 9.722 8.297 2.461 1.00 33.42 C ATOM 545 CG1 VAL A 34 10.795 9.361 2.688 1.00 3.02 C ATOM 546 CG2 VAL A 34 9.391 7.571 3.766 1.00 52.33 C ATOM 0 H VAL A 34 7.719 6.937 1.810 1.00 4.12 H new ATOM 0 HA VAL A 34 8.023 9.634 2.543 1.00 23.43 H new ATOM 0 HB VAL A 34 10.121 7.569 1.754 1.00 33.42 H new ATOM 0 HG11 VAL A 34 11.680 8.898 3.124 1.00 3.02 H new ATOM 0 HG12 VAL A 34 11.058 9.821 1.736 1.00 3.02 H new ATOM 0 HG13 VAL A 34 10.413 10.124 3.366 1.00 3.02 H new ATOM 0 HG21 VAL A 34 10.302 7.145 4.187 1.00 52.33 H new ATOM 0 HG22 VAL A 34 8.959 8.277 4.475 1.00 52.33 H new ATOM 0 HG23 VAL A 34 8.676 6.773 3.567 1.00 52.33 H new ATOM 556 N SER A 35 8.854 8.861 -0.554 1.00 74.40 N ATOM 557 CA SER A 35 9.094 9.403 -1.897 1.00 14.25 C ATOM 558 C SER A 35 7.909 10.251 -2.385 1.00 13.51 C ATOM 559 O SER A 35 8.054 11.076 -3.286 1.00 2.23 O ATOM 560 CB SER A 35 9.350 8.255 -2.887 1.00 5.14 C ATOM 561 OG SER A 35 9.532 8.732 -4.212 1.00 74.40 O ATOM 0 H SER A 35 8.732 7.849 -0.531 1.00 74.40 H new ATOM 0 HA SER A 35 9.971 10.047 -1.844 1.00 14.25 H new ATOM 0 HB2 SER A 35 10.234 7.698 -2.577 1.00 5.14 H new ATOM 0 HB3 SER A 35 8.510 7.560 -2.863 1.00 5.14 H new ATOM 0 HG SER A 35 9.694 7.975 -4.813 1.00 74.40 H new ATOM 567 N GLY A 36 6.734 10.034 -1.790 1.00 54.24 N ATOM 568 CA GLY A 36 5.546 10.801 -2.152 1.00 72.51 C ATOM 569 C GLY A 36 4.961 10.414 -3.509 1.00 51.12 C ATOM 570 O GLY A 36 4.532 11.279 -4.276 1.00 43.11 O ATOM 0 H GLY A 36 6.583 9.338 -1.060 1.00 54.24 H new ATOM 0 HA2 GLY A 36 4.785 10.661 -1.384 1.00 72.51 H new ATOM 0 HA3 GLY A 36 5.797 11.862 -2.163 1.00 72.51 H new ATOM 574 N THR A 37 4.935 9.114 -3.808 1.00 42.04 N ATOM 575 CA THR A 37 4.377 8.626 -5.085 1.00 53.32 C ATOM 576 C THR A 37 3.163 7.706 -4.879 1.00 11.22 C ATOM 577 O THR A 37 2.549 7.251 -5.845 1.00 72.12 O ATOM 578 CB THR A 37 5.439 7.872 -5.928 1.00 21.12 C ATOM 579 OG1 THR A 37 4.864 7.415 -7.167 1.00 4.53 O ATOM 580 CG2 THR A 37 6.013 6.684 -5.164 1.00 1.11 C ATOM 0 H THR A 37 5.289 8.380 -3.194 1.00 42.04 H new ATOM 0 HA THR A 37 4.055 9.517 -5.623 1.00 53.32 H new ATOM 0 HB THR A 37 6.249 8.571 -6.139 1.00 21.12 H new ATOM 0 HG1 THR A 37 3.925 7.175 -7.023 1.00 4.53 H new ATOM 0 HG21 THR A 37 6.754 6.177 -5.782 1.00 1.11 H new ATOM 0 HG22 THR A 37 6.485 7.035 -4.247 1.00 1.11 H new ATOM 0 HG23 THR A 37 5.211 5.989 -4.916 1.00 1.11 H new ATOM 588 N VAL A 38 2.817 7.428 -3.622 1.00 54.32 N ATOM 589 CA VAL A 38 1.661 6.572 -3.317 1.00 41.45 C ATOM 590 C VAL A 38 0.339 7.319 -3.545 1.00 71.33 C ATOM 591 O VAL A 38 -0.115 8.082 -2.692 1.00 45.01 O ATOM 592 CB VAL A 38 1.703 6.044 -1.859 1.00 4.33 C ATOM 593 CG1 VAL A 38 0.490 5.162 -1.558 1.00 31.23 C ATOM 594 CG2 VAL A 38 2.996 5.280 -1.608 1.00 42.21 C ATOM 0 H VAL A 38 3.313 7.778 -2.802 1.00 54.32 H new ATOM 0 HA VAL A 38 1.717 5.723 -3.998 1.00 41.45 H new ATOM 0 HB VAL A 38 1.669 6.902 -1.187 1.00 4.33 H new ATOM 0 HG11 VAL A 38 0.545 4.806 -0.529 1.00 31.23 H new ATOM 0 HG12 VAL A 38 -0.423 5.741 -1.693 1.00 31.23 H new ATOM 0 HG13 VAL A 38 0.482 4.310 -2.237 1.00 31.23 H new ATOM 0 HG21 VAL A 38 3.010 4.916 -0.581 1.00 42.21 H new ATOM 0 HG22 VAL A 38 3.058 4.435 -2.293 1.00 42.21 H new ATOM 0 HG23 VAL A 38 3.847 5.942 -1.770 1.00 42.21 H new ATOM 604 N GLN A 39 -0.263 7.105 -4.709 1.00 12.21 N ATOM 605 CA GLN A 39 -1.536 7.744 -5.051 1.00 34.11 C ATOM 606 C GLN A 39 -2.735 6.922 -4.549 1.00 43.15 C ATOM 607 O GLN A 39 -3.050 5.864 -5.091 1.00 35.42 O ATOM 608 CB GLN A 39 -1.635 7.946 -6.571 1.00 71.01 C ATOM 609 CG GLN A 39 -0.586 8.905 -7.132 1.00 32.33 C ATOM 610 CD GLN A 39 -0.603 8.985 -8.651 1.00 44.54 C ATOM 611 OE1 GLN A 39 -0.927 8.019 -9.336 1.00 12.41 O ATOM 612 NE2 GLN A 39 -0.255 10.135 -9.192 1.00 22.21 N ATOM 0 H GLN A 39 0.108 6.493 -5.436 1.00 12.21 H new ATOM 0 HA GLN A 39 -1.565 8.714 -4.555 1.00 34.11 H new ATOM 0 HB2 GLN A 39 -1.532 6.980 -7.065 1.00 71.01 H new ATOM 0 HB3 GLN A 39 -2.628 8.324 -6.815 1.00 71.01 H new ATOM 0 HG2 GLN A 39 -0.754 9.900 -6.720 1.00 32.33 H new ATOM 0 HG3 GLN A 39 0.403 8.586 -6.802 1.00 32.33 H new ATOM 0 HE21 GLN A 39 0.009 10.920 -8.596 1.00 22.21 H new ATOM 0 HE22 GLN A 39 -0.250 10.241 -10.207 1.00 22.21 H new ATOM 621 N ARG A 40 -3.386 7.418 -3.499 1.00 13.32 N ATOM 622 CA ARG A 40 -4.615 6.808 -2.975 1.00 54.45 C ATOM 623 C ARG A 40 -5.725 6.825 -4.043 1.00 74.02 C ATOM 624 O ARG A 40 -5.679 7.633 -4.974 1.00 74.00 O ATOM 625 CB ARG A 40 -5.078 7.578 -1.725 1.00 10.31 C ATOM 626 CG ARG A 40 -6.229 6.918 -0.964 1.00 52.55 C ATOM 627 CD ARG A 40 -5.774 5.671 -0.216 1.00 3.42 C ATOM 628 NE ARG A 40 -4.813 5.991 0.840 1.00 5.44 N ATOM 629 CZ ARG A 40 -4.161 5.100 1.534 1.00 71.42 C ATOM 630 NH1 ARG A 40 -4.304 3.835 1.298 1.00 23.33 N ATOM 631 NH2 ARG A 40 -3.365 5.483 2.476 1.00 32.12 N ATOM 0 H ARG A 40 -3.083 8.247 -2.988 1.00 13.32 H new ATOM 0 HA ARG A 40 -4.409 5.771 -2.709 1.00 54.45 H new ATOM 0 HB2 ARG A 40 -4.230 7.692 -1.049 1.00 10.31 H new ATOM 0 HB3 ARG A 40 -5.384 8.580 -2.024 1.00 10.31 H new ATOM 0 HG2 ARG A 40 -6.653 7.631 -0.257 1.00 52.55 H new ATOM 0 HG3 ARG A 40 -7.022 6.653 -1.663 1.00 52.55 H new ATOM 0 HD2 ARG A 40 -6.640 5.172 0.219 1.00 3.42 H new ATOM 0 HD3 ARG A 40 -5.322 4.970 -0.918 1.00 3.42 H new ATOM 0 HE ARG A 40 -4.642 6.975 1.047 1.00 5.44 H new ATOM 0 HH11 ARG A 40 -4.934 3.522 0.560 1.00 23.33 H new ATOM 0 HH12 ARG A 40 -3.786 3.151 1.850 1.00 23.33 H new ATOM 0 HH21 ARG A 40 -3.249 6.477 2.673 1.00 32.12 H new ATOM 0 HH22 ARG A 40 -2.852 4.791 3.023 1.00 32.12 H new ATOM 645 N ALA A 41 -6.719 5.946 -3.910 1.00 31.11 N ATOM 646 CA ALA A 41 -7.846 5.902 -4.856 1.00 14.12 C ATOM 647 C ALA A 41 -8.496 7.286 -5.045 1.00 62.14 C ATOM 648 O ALA A 41 -8.952 7.625 -6.138 1.00 25.14 O ATOM 649 CB ALA A 41 -8.883 4.888 -4.390 1.00 12.22 C ATOM 0 H ALA A 41 -6.771 5.255 -3.161 1.00 31.11 H new ATOM 0 HA ALA A 41 -7.451 5.594 -5.824 1.00 14.12 H new ATOM 0 HB1 ALA A 41 -9.712 4.864 -5.097 1.00 12.22 H new ATOM 0 HB2 ALA A 41 -8.426 3.900 -4.333 1.00 12.22 H new ATOM 0 HB3 ALA A 41 -9.254 5.173 -3.406 1.00 12.22 H new ATOM 655 N ASP A 42 -8.515 8.086 -3.978 1.00 2.31 N ATOM 656 CA ASP A 42 -9.069 9.450 -4.018 1.00 1.25 C ATOM 657 C ASP A 42 -8.250 10.405 -4.916 1.00 13.41 C ATOM 658 O ASP A 42 -8.627 11.566 -5.107 1.00 74.50 O ATOM 659 CB ASP A 42 -9.112 10.022 -2.599 1.00 1.33 C ATOM 660 CG ASP A 42 -9.915 9.157 -1.649 1.00 65.25 C ATOM 661 OD1 ASP A 42 -9.361 8.161 -1.142 1.00 61.10 O ATOM 662 OD2 ASP A 42 -11.102 9.471 -1.406 1.00 40.22 O ATOM 0 H ASP A 42 -8.151 7.814 -3.065 1.00 2.31 H new ATOM 0 HA ASP A 42 -10.070 9.375 -4.444 1.00 1.25 H new ATOM 0 HB2 ASP A 42 -8.095 10.124 -2.221 1.00 1.33 H new ATOM 0 HB3 ASP A 42 -9.543 11.023 -2.627 1.00 1.33 H new ATOM 667 N GLY A 43 -7.138 9.921 -5.462 1.00 63.12 N ATOM 668 CA GLY A 43 -6.243 10.780 -6.231 1.00 33.13 C ATOM 669 C GLY A 43 -5.388 11.684 -5.343 1.00 13.13 C ATOM 670 O GLY A 43 -5.002 12.782 -5.745 1.00 73.02 O ATOM 0 H GLY A 43 -6.837 8.949 -5.388 1.00 63.12 H new ATOM 0 HA2 GLY A 43 -5.591 10.160 -6.847 1.00 33.13 H new ATOM 0 HA3 GLY A 43 -6.832 11.396 -6.910 1.00 33.13 H new ATOM 674 N SER A 44 -5.094 11.214 -4.134 1.00 31.22 N ATOM 675 CA SER A 44 -4.306 11.986 -3.158 1.00 74.21 C ATOM 676 C SER A 44 -3.054 11.215 -2.723 1.00 43.23 C ATOM 677 O SER A 44 -3.100 10.001 -2.531 1.00 32.53 O ATOM 678 CB SER A 44 -5.161 12.308 -1.924 1.00 52.04 C ATOM 679 OG SER A 44 -4.427 13.051 -0.956 1.00 51.41 O ATOM 0 H SER A 44 -5.389 10.297 -3.798 1.00 31.22 H new ATOM 0 HA SER A 44 -3.994 12.913 -3.640 1.00 74.21 H new ATOM 0 HB2 SER A 44 -6.041 12.875 -2.228 1.00 52.04 H new ATOM 0 HB3 SER A 44 -5.519 11.381 -1.477 1.00 52.04 H new ATOM 0 HG SER A 44 -5.001 13.240 -0.185 1.00 51.41 H new ATOM 685 N ILE A 45 -1.944 11.922 -2.557 1.00 20.12 N ATOM 686 CA ILE A 45 -0.679 11.296 -2.159 1.00 1.23 C ATOM 687 C ILE A 45 -0.679 10.905 -0.670 1.00 22.41 C ATOM 688 O ILE A 45 -1.107 11.680 0.190 1.00 41.11 O ATOM 689 CB ILE A 45 0.521 12.241 -2.435 1.00 22.24 C ATOM 690 CG1 ILE A 45 0.601 12.595 -3.930 1.00 23.45 C ATOM 691 CG2 ILE A 45 1.833 11.612 -1.958 1.00 32.43 C ATOM 692 CD1 ILE A 45 0.828 11.402 -4.837 1.00 3.15 C ATOM 0 H ILE A 45 -1.889 12.932 -2.691 1.00 20.12 H new ATOM 0 HA ILE A 45 -0.575 10.391 -2.758 1.00 1.23 H new ATOM 0 HB ILE A 45 0.363 13.161 -1.873 1.00 22.24 H new ATOM 0 HG12 ILE A 45 -0.324 13.091 -4.225 1.00 23.45 H new ATOM 0 HG13 ILE A 45 1.409 13.311 -4.080 1.00 23.45 H new ATOM 0 HG21 ILE A 45 2.659 12.293 -2.163 1.00 32.43 H new ATOM 0 HG22 ILE A 45 1.777 11.422 -0.886 1.00 32.43 H new ATOM 0 HG23 ILE A 45 1.999 10.672 -2.485 1.00 32.43 H new ATOM 0 HD11 ILE A 45 0.872 11.736 -5.874 1.00 3.15 H new ATOM 0 HD12 ILE A 45 1.767 10.917 -4.572 1.00 3.15 H new ATOM 0 HD13 ILE A 45 0.008 10.694 -4.719 1.00 3.15 H new ATOM 704 N GLN A 46 -0.215 9.691 -0.375 1.00 21.52 N ATOM 705 CA GLN A 46 -0.042 9.239 1.006 1.00 62.35 C ATOM 706 C GLN A 46 1.371 9.561 1.517 1.00 70.10 C ATOM 707 O GLN A 46 2.361 9.023 1.020 1.00 30.22 O ATOM 708 CB GLN A 46 -0.319 7.730 1.126 1.00 51.41 C ATOM 709 CG GLN A 46 0.134 7.128 2.456 1.00 1.03 C ATOM 710 CD GLN A 46 -0.291 5.680 2.647 1.00 43.53 C ATOM 711 OE1 GLN A 46 -0.488 4.936 1.696 1.00 0.31 O ATOM 712 NE2 GLN A 46 -0.404 5.261 3.892 1.00 64.15 N ATOM 0 H GLN A 46 0.049 9.000 -1.077 1.00 21.52 H new ATOM 0 HA GLN A 46 -0.762 9.775 1.624 1.00 62.35 H new ATOM 0 HB2 GLN A 46 -1.388 7.554 1.003 1.00 51.41 H new ATOM 0 HB3 GLN A 46 0.185 7.211 0.311 1.00 51.41 H new ATOM 0 HG2 GLN A 46 1.220 7.190 2.522 1.00 1.03 H new ATOM 0 HG3 GLN A 46 -0.270 7.727 3.272 1.00 1.03 H new ATOM 0 HE21 GLN A 46 -0.233 5.905 4.664 1.00 64.15 H new ATOM 0 HE22 GLN A 46 -0.662 4.293 4.083 1.00 64.15 H new ATOM 721 N ASN A 47 1.451 10.456 2.497 1.00 3.02 N ATOM 722 CA ASN A 47 2.729 10.859 3.097 1.00 11.52 C ATOM 723 C ASN A 47 2.889 10.274 4.510 1.00 44.45 C ATOM 724 O ASN A 47 3.986 10.272 5.073 1.00 72.11 O ATOM 725 CB ASN A 47 2.816 12.386 3.141 1.00 52.32 C ATOM 726 CG ASN A 47 2.541 13.001 1.783 1.00 33.25 C ATOM 727 OD1 ASN A 47 1.405 13.310 1.446 1.00 33.02 O ATOM 728 ND2 ASN A 47 3.572 13.172 0.985 1.00 64.40 N ATOM 0 H ASN A 47 0.639 10.923 2.900 1.00 3.02 H new ATOM 0 HA ASN A 47 3.539 10.467 2.482 1.00 11.52 H new ATOM 0 HB2 ASN A 47 2.100 12.771 3.867 1.00 52.32 H new ATOM 0 HB3 ASN A 47 3.807 12.685 3.482 1.00 52.32 H new ATOM 0 HD21 ASN A 47 3.437 13.572 0.056 1.00 64.40 H new ATOM 0 HD22 ASN A 47 4.506 12.905 1.295 1.00 64.40 H new ATOM 735 N GLN A 48 1.782 9.788 5.073 1.00 74.13 N ATOM 736 CA GLN A 48 1.785 9.111 6.374 1.00 34.24 C ATOM 737 C GLN A 48 2.070 7.608 6.217 1.00 50.14 C ATOM 738 O GLN A 48 1.398 6.911 5.452 1.00 43.15 O ATOM 739 CB GLN A 48 0.438 9.324 7.078 1.00 4.22 C ATOM 740 CG GLN A 48 0.208 10.761 7.539 1.00 1.00 C ATOM 741 CD GLN A 48 -1.219 11.018 7.998 1.00 50.31 C ATOM 742 OE1 GLN A 48 -1.561 10.821 9.161 1.00 64.02 O ATOM 743 NE2 GLN A 48 -2.054 11.481 7.094 1.00 4.30 N ATOM 0 H GLN A 48 0.859 9.851 4.643 1.00 74.13 H new ATOM 0 HA GLN A 48 2.580 9.543 6.982 1.00 34.24 H new ATOM 0 HB2 GLN A 48 -0.366 9.036 6.400 1.00 4.22 H new ATOM 0 HB3 GLN A 48 0.380 8.661 7.941 1.00 4.22 H new ATOM 0 HG2 GLN A 48 0.893 10.988 8.356 1.00 1.00 H new ATOM 0 HG3 GLN A 48 0.449 11.441 6.722 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -1.736 11.633 6.137 1.00 4.30 H new ATOM 0 HE22 GLN A 48 -3.019 11.688 7.350 1.00 4.30 H new ATOM 752 N SER A 49 3.055 7.121 6.961 1.00 0.04 N ATOM 753 CA SER A 49 3.517 5.727 6.842 1.00 21.20 C ATOM 754 C SER A 49 2.506 4.717 7.405 1.00 74.52 C ATOM 755 O SER A 49 1.536 5.085 8.075 1.00 11.44 O ATOM 756 CB SER A 49 4.862 5.556 7.562 1.00 33.05 C ATOM 757 OG SER A 49 4.737 5.810 8.956 1.00 5.44 O ATOM 0 H SER A 49 3.558 7.668 7.660 1.00 0.04 H new ATOM 0 HA SER A 49 3.628 5.521 5.777 1.00 21.20 H new ATOM 0 HB2 SER A 49 5.234 4.543 7.406 1.00 33.05 H new ATOM 0 HB3 SER A 49 5.597 6.236 7.131 1.00 33.05 H new ATOM 0 HG SER A 49 5.608 5.692 9.389 1.00 5.44 H new ATOM 763 N LEU A 50 2.748 3.433 7.137 1.00 62.40 N ATOM 764 CA LEU A 50 1.889 2.352 7.637 1.00 53.21 C ATOM 765 C LEU A 50 2.725 1.183 8.189 1.00 14.41 C ATOM 766 O LEU A 50 3.813 0.889 7.694 1.00 63.55 O ATOM 767 CB LEU A 50 0.905 1.882 6.541 1.00 51.11 C ATOM 768 CG LEU A 50 1.434 1.892 5.089 1.00 10.44 C ATOM 769 CD1 LEU A 50 2.544 0.867 4.888 1.00 1.44 C ATOM 770 CD2 LEU A 50 0.294 1.654 4.102 1.00 4.31 C ATOM 0 H LEU A 50 3.536 3.112 6.574 1.00 62.40 H new ATOM 0 HA LEU A 50 1.299 2.744 8.466 1.00 53.21 H new ATOM 0 HB2 LEU A 50 0.586 0.868 6.781 1.00 51.11 H new ATOM 0 HB3 LEU A 50 0.018 2.514 6.585 1.00 51.11 H new ATOM 0 HG LEU A 50 1.860 2.877 4.899 1.00 10.44 H new ATOM 0 HD11 LEU A 50 2.890 0.904 3.855 1.00 1.44 H new ATOM 0 HD12 LEU A 50 3.374 1.093 5.557 1.00 1.44 H new ATOM 0 HD13 LEU A 50 2.163 -0.130 5.108 1.00 1.44 H new ATOM 0 HD21 LEU A 50 0.685 1.664 3.085 1.00 4.31 H new ATOM 0 HD22 LEU A 50 -0.166 0.687 4.304 1.00 4.31 H new ATOM 0 HD23 LEU A 50 -0.452 2.441 4.212 1.00 4.31 H new ATOM 782 N HIS A 51 2.205 0.523 9.219 1.00 11.41 N ATOM 783 CA HIS A 51 2.967 -0.503 9.949 1.00 10.11 C ATOM 784 C HIS A 51 2.561 -1.930 9.549 1.00 61.31 C ATOM 785 O HIS A 51 3.283 -2.887 9.832 1.00 11.12 O ATOM 786 CB HIS A 51 2.770 -0.318 11.458 1.00 12.03 C ATOM 787 CG HIS A 51 3.147 1.048 11.951 1.00 3.33 C ATOM 788 ND1 HIS A 51 4.341 1.322 12.577 1.00 14.24 N ATOM 789 CD2 HIS A 51 2.475 2.222 11.905 1.00 31.35 C ATOM 790 CE1 HIS A 51 4.387 2.599 12.894 1.00 71.12 C ATOM 791 NE2 HIS A 51 3.269 3.169 12.499 1.00 31.32 N ATOM 0 H HIS A 51 1.260 0.675 9.572 1.00 11.41 H new ATOM 0 HA HIS A 51 4.017 -0.375 9.686 1.00 10.11 H new ATOM 0 HB2 HIS A 51 1.726 -0.509 11.706 1.00 12.03 H new ATOM 0 HB3 HIS A 51 3.364 -1.063 11.987 1.00 12.03 H new ATOM 0 HD2 HIS A 51 1.495 2.383 11.480 1.00 31.35 H new ATOM 0 HE1 HIS A 51 5.205 3.095 13.394 1.00 71.12 H new ATOM 0 HE2 HIS A 51 3.032 4.154 12.616 1.00 31.32 H new ATOM 800 N GLU A 52 1.409 -2.067 8.895 1.00 51.51 N ATOM 801 CA GLU A 52 0.880 -3.389 8.538 1.00 53.14 C ATOM 802 C GLU A 52 -0.182 -3.277 7.432 1.00 71.12 C ATOM 803 O GLU A 52 -1.038 -2.389 7.464 1.00 42.04 O ATOM 804 CB GLU A 52 0.295 -4.054 9.794 1.00 51.33 C ATOM 805 CG GLU A 52 -0.134 -5.504 9.605 1.00 1.33 C ATOM 806 CD GLU A 52 -0.556 -6.153 10.915 1.00 75.24 C ATOM 807 OE1 GLU A 52 -1.733 -6.010 11.308 1.00 64.13 O ATOM 808 OE2 GLU A 52 0.300 -6.790 11.570 1.00 4.14 O ATOM 0 H GLU A 52 0.824 -1.285 8.601 1.00 51.51 H new ATOM 0 HA GLU A 52 1.691 -4.005 8.149 1.00 53.14 H new ATOM 0 HB2 GLU A 52 1.037 -4.010 10.591 1.00 51.33 H new ATOM 0 HB3 GLU A 52 -0.566 -3.475 10.128 1.00 51.33 H new ATOM 0 HG2 GLU A 52 -0.961 -5.547 8.897 1.00 1.33 H new ATOM 0 HG3 GLU A 52 0.689 -6.071 9.169 1.00 1.33 H new ATOM 815 N ALA A 53 -0.132 -4.179 6.452 1.00 71.11 N ATOM 816 CA ALA A 53 -1.029 -4.095 5.293 1.00 45.23 C ATOM 817 C ALA A 53 -1.394 -5.473 4.718 1.00 65.45 C ATOM 818 O ALA A 53 -0.715 -6.474 4.957 1.00 51.42 O ATOM 819 CB ALA A 53 -0.392 -3.226 4.213 1.00 65.35 C ATOM 0 H ALA A 53 0.512 -4.970 6.434 1.00 71.11 H new ATOM 0 HA ALA A 53 -1.959 -3.643 5.637 1.00 45.23 H new ATOM 0 HB1 ALA A 53 -1.060 -3.165 3.354 1.00 65.35 H new ATOM 0 HB2 ALA A 53 -0.217 -2.225 4.608 1.00 65.35 H new ATOM 0 HB3 ALA A 53 0.557 -3.666 3.905 1.00 65.35 H new ATOM 825 N LEU A 54 -2.483 -5.501 3.951 1.00 71.11 N ATOM 826 CA LEU A 54 -2.949 -6.717 3.277 1.00 30.52 C ATOM 827 C LEU A 54 -2.660 -6.652 1.774 1.00 42.12 C ATOM 828 O LEU A 54 -3.078 -5.717 1.095 1.00 34.51 O ATOM 829 CB LEU A 54 -4.458 -6.887 3.490 1.00 31.04 C ATOM 830 CG LEU A 54 -4.902 -7.062 4.948 1.00 43.21 C ATOM 831 CD1 LEU A 54 -6.422 -7.010 5.053 1.00 74.30 C ATOM 832 CD2 LEU A 54 -4.365 -8.371 5.528 1.00 73.22 C ATOM 0 H LEU A 54 -3.068 -4.684 3.778 1.00 71.11 H new ATOM 0 HA LEU A 54 -2.416 -7.566 3.704 1.00 30.52 H new ATOM 0 HB2 LEU A 54 -4.966 -6.017 3.075 1.00 31.04 H new ATOM 0 HB3 LEU A 54 -4.793 -7.753 2.920 1.00 31.04 H new ATOM 0 HG LEU A 54 -4.488 -6.240 5.531 1.00 43.21 H new ATOM 0 HD11 LEU A 54 -6.719 -7.136 6.094 1.00 74.30 H new ATOM 0 HD12 LEU A 54 -6.779 -6.047 4.687 1.00 74.30 H new ATOM 0 HD13 LEU A 54 -6.856 -7.810 4.453 1.00 74.30 H new ATOM 0 HD21 LEU A 54 -4.693 -8.472 6.562 1.00 73.22 H new ATOM 0 HD22 LEU A 54 -4.743 -9.210 4.944 1.00 73.22 H new ATOM 0 HD23 LEU A 54 -3.276 -8.365 5.492 1.00 73.22 H new ATOM 844 N ILE A 55 -1.962 -7.648 1.252 1.00 53.34 N ATOM 845 CA ILE A 55 -1.662 -7.710 -0.179 1.00 71.52 C ATOM 846 C ILE A 55 -2.598 -8.704 -0.889 1.00 3.23 C ATOM 847 O ILE A 55 -2.849 -9.803 -0.391 1.00 73.21 O ATOM 848 CB ILE A 55 -0.181 -8.116 -0.421 1.00 4.14 C ATOM 849 CG1 ILE A 55 0.161 -8.087 -1.922 1.00 4.24 C ATOM 850 CG2 ILE A 55 0.119 -9.494 0.174 1.00 54.13 C ATOM 851 CD1 ILE A 55 0.055 -6.712 -2.553 1.00 12.22 C ATOM 0 H ILE A 55 -1.590 -8.428 1.794 1.00 53.34 H new ATOM 0 HA ILE A 55 -1.822 -6.715 -0.594 1.00 71.52 H new ATOM 0 HB ILE A 55 0.449 -7.385 0.086 1.00 4.14 H new ATOM 0 HG12 ILE A 55 1.175 -8.462 -2.060 1.00 4.24 H new ATOM 0 HG13 ILE A 55 -0.505 -8.770 -2.449 1.00 4.24 H new ATOM 0 HG21 ILE A 55 1.162 -9.751 -0.011 1.00 54.13 H new ATOM 0 HG22 ILE A 55 -0.065 -9.474 1.248 1.00 54.13 H new ATOM 0 HG23 ILE A 55 -0.526 -10.239 -0.291 1.00 54.13 H new ATOM 0 HD11 ILE A 55 0.311 -6.776 -3.610 1.00 12.22 H new ATOM 0 HD12 ILE A 55 -0.965 -6.341 -2.449 1.00 12.22 H new ATOM 0 HD13 ILE A 55 0.742 -6.029 -2.054 1.00 12.22 H new ATOM 863 N THR A 56 -3.144 -8.304 -2.038 1.00 43.41 N ATOM 864 CA THR A 56 -3.933 -9.223 -2.870 1.00 32.01 C ATOM 865 C THR A 56 -3.080 -10.420 -3.313 1.00 4.43 C ATOM 866 O THR A 56 -1.870 -10.289 -3.501 1.00 10.31 O ATOM 867 CB THR A 56 -4.520 -8.521 -4.120 1.00 1.45 C ATOM 868 OG1 THR A 56 -3.489 -7.815 -4.827 1.00 62.21 O ATOM 869 CG2 THR A 56 -5.630 -7.551 -3.731 1.00 25.50 C ATOM 0 H THR A 56 -3.058 -7.360 -2.414 1.00 43.41 H new ATOM 0 HA THR A 56 -4.763 -9.570 -2.255 1.00 32.01 H new ATOM 0 HB THR A 56 -4.940 -9.290 -4.769 1.00 1.45 H new ATOM 0 HG1 THR A 56 -3.254 -7.000 -4.336 1.00 62.21 H new ATOM 0 HG21 THR A 56 -6.025 -7.072 -4.627 1.00 25.50 H new ATOM 0 HG22 THR A 56 -6.429 -8.095 -3.228 1.00 25.50 H new ATOM 0 HG23 THR A 56 -5.230 -6.791 -3.059 1.00 25.50 H new ATOM 877 N ARG A 57 -3.707 -11.585 -3.475 1.00 70.34 N ATOM 878 CA ARG A 57 -2.986 -12.828 -3.797 1.00 11.40 C ATOM 879 C ARG A 57 -2.109 -12.696 -5.062 1.00 42.41 C ATOM 880 O ARG A 57 -1.055 -13.330 -5.166 1.00 65.01 O ATOM 881 CB ARG A 57 -3.991 -13.975 -3.963 1.00 3.22 C ATOM 882 CG ARG A 57 -3.350 -15.356 -4.045 1.00 22.21 C ATOM 883 CD ARG A 57 -4.393 -16.469 -4.041 1.00 63.03 C ATOM 884 NE ARG A 57 -3.787 -17.795 -3.912 1.00 63.02 N ATOM 885 CZ ARG A 57 -4.367 -18.814 -3.326 1.00 33.40 C ATOM 886 NH1 ARG A 57 -5.546 -18.695 -2.809 1.00 51.41 N ATOM 887 NH2 ARG A 57 -3.765 -19.955 -3.256 1.00 4.52 N ATOM 0 H ARG A 57 -4.717 -11.700 -3.389 1.00 70.34 H new ATOM 0 HA ARG A 57 -2.311 -13.041 -2.968 1.00 11.40 H new ATOM 0 HB2 ARG A 57 -4.687 -13.958 -3.124 1.00 3.22 H new ATOM 0 HB3 ARG A 57 -4.576 -13.803 -4.866 1.00 3.22 H new ATOM 0 HG2 ARG A 57 -2.750 -15.424 -4.952 1.00 22.21 H new ATOM 0 HG3 ARG A 57 -2.671 -15.492 -3.203 1.00 22.21 H new ATOM 0 HD2 ARG A 57 -5.090 -16.308 -3.218 1.00 63.03 H new ATOM 0 HD3 ARG A 57 -4.973 -16.425 -4.963 1.00 63.03 H new ATOM 0 HE ARG A 57 -2.855 -17.935 -4.302 1.00 63.02 H new ATOM 0 HH11 ARG A 57 -6.035 -17.801 -2.855 1.00 51.41 H new ATOM 0 HH12 ARG A 57 -5.987 -19.495 -2.356 1.00 51.41 H new ATOM 0 HH21 ARG A 57 -2.834 -20.066 -3.658 1.00 4.52 H new ATOM 0 HH22 ARG A 57 -4.221 -20.745 -2.799 1.00 4.52 H new ATOM 901 N ASP A 58 -2.549 -11.878 -6.013 1.00 60.12 N ATOM 902 CA ASP A 58 -1.800 -11.656 -7.260 1.00 52.43 C ATOM 903 C ASP A 58 -0.950 -10.369 -7.200 1.00 41.15 C ATOM 904 O ASP A 58 -0.346 -9.966 -8.191 1.00 54.52 O ATOM 905 CB ASP A 58 -2.778 -11.593 -8.435 1.00 22.43 C ATOM 906 CG ASP A 58 -3.656 -12.831 -8.516 1.00 70.44 C ATOM 907 OD1 ASP A 58 -3.176 -13.878 -8.999 1.00 24.42 O ATOM 908 OD2 ASP A 58 -4.826 -12.767 -8.084 1.00 52.12 O ATOM 0 H ASP A 58 -3.422 -11.354 -5.950 1.00 60.12 H new ATOM 0 HA ASP A 58 -1.112 -12.490 -7.396 1.00 52.43 H new ATOM 0 HB2 ASP A 58 -3.407 -10.709 -8.335 1.00 22.43 H new ATOM 0 HB3 ASP A 58 -2.220 -11.484 -9.365 1.00 22.43 H new ATOM 913 N ARG A 59 -0.898 -9.752 -6.018 1.00 2.52 N ATOM 914 CA ARG A 59 -0.142 -8.512 -5.783 1.00 24.11 C ATOM 915 C ARG A 59 -0.544 -7.376 -6.746 1.00 24.21 C ATOM 916 O ARG A 59 0.313 -6.703 -7.317 1.00 52.23 O ATOM 917 CB ARG A 59 1.380 -8.751 -5.865 1.00 22.43 C ATOM 918 CG ARG A 59 1.921 -9.767 -4.853 1.00 23.14 C ATOM 919 CD ARG A 59 1.842 -11.196 -5.378 1.00 45.24 C ATOM 920 NE ARG A 59 2.626 -11.364 -6.604 1.00 64.32 N ATOM 921 CZ ARG A 59 3.203 -12.475 -6.963 1.00 73.33 C ATOM 922 NH1 ARG A 59 3.056 -13.548 -6.255 1.00 22.54 N ATOM 923 NH2 ARG A 59 3.917 -12.508 -8.045 1.00 33.31 N ATOM 0 H ARG A 59 -1.381 -10.098 -5.189 1.00 2.52 H new ATOM 0 HA ARG A 59 -0.398 -8.196 -4.772 1.00 24.11 H new ATOM 0 HB2 ARG A 59 1.627 -9.092 -6.870 1.00 22.43 H new ATOM 0 HB3 ARG A 59 1.892 -7.801 -5.716 1.00 22.43 H new ATOM 0 HG2 ARG A 59 2.957 -9.525 -4.615 1.00 23.14 H new ATOM 0 HG3 ARG A 59 1.355 -9.690 -3.925 1.00 23.14 H new ATOM 0 HD2 ARG A 59 2.206 -11.885 -4.616 1.00 45.24 H new ATOM 0 HD3 ARG A 59 0.801 -11.456 -5.572 1.00 45.24 H new ATOM 0 HE ARG A 59 2.727 -10.556 -7.218 1.00 64.32 H new ATOM 0 HH11 ARG A 59 2.485 -13.527 -5.410 1.00 22.54 H new ATOM 0 HH12 ARG A 59 3.511 -14.415 -6.542 1.00 22.54 H new ATOM 0 HH21 ARG A 59 4.025 -11.666 -8.611 1.00 33.31 H new ATOM 0 HH22 ARG A 59 4.371 -13.376 -8.330 1.00 33.31 H new ATOM 937 N LYS A 60 -1.848 -7.158 -6.909 1.00 32.32 N ATOM 938 CA LYS A 60 -2.349 -6.044 -7.732 1.00 1.43 C ATOM 939 C LYS A 60 -2.752 -4.841 -6.861 1.00 51.13 C ATOM 940 O LYS A 60 -2.255 -3.726 -7.050 1.00 61.33 O ATOM 941 CB LYS A 60 -3.534 -6.508 -8.593 1.00 21.10 C ATOM 942 CG LYS A 60 -3.141 -7.444 -9.735 1.00 53.12 C ATOM 943 CD LYS A 60 -2.180 -6.767 -10.715 1.00 2.02 C ATOM 944 CE LYS A 60 -1.862 -7.657 -11.909 1.00 61.52 C ATOM 945 NZ LYS A 60 -0.876 -7.025 -12.826 1.00 74.52 N ATOM 0 H LYS A 60 -2.578 -7.732 -6.487 1.00 32.32 H new ATOM 0 HA LYS A 60 -1.542 -5.722 -8.390 1.00 1.43 H new ATOM 0 HB2 LYS A 60 -4.258 -7.014 -7.954 1.00 21.10 H new ATOM 0 HB3 LYS A 60 -4.033 -5.633 -9.009 1.00 21.10 H new ATOM 0 HG2 LYS A 60 -2.673 -8.340 -9.327 1.00 53.12 H new ATOM 0 HG3 LYS A 60 -4.036 -7.766 -10.267 1.00 53.12 H new ATOM 0 HD2 LYS A 60 -2.619 -5.833 -11.066 1.00 2.02 H new ATOM 0 HD3 LYS A 60 -1.256 -6.511 -10.198 1.00 2.02 H new ATOM 0 HE2 LYS A 60 -1.470 -8.611 -11.556 1.00 61.52 H new ATOM 0 HE3 LYS A 60 -2.780 -7.872 -12.456 1.00 61.52 H new ATOM 0 HZ1 LYS A 60 -0.687 -7.663 -13.625 1.00 74.52 H new ATOM 0 HZ2 LYS A 60 -1.260 -6.127 -13.183 1.00 74.52 H new ATOM 0 HZ3 LYS A 60 0.009 -6.843 -12.312 1.00 74.52 H new ATOM 959 N GLN A 61 -3.647 -5.070 -5.898 1.00 73.40 N ATOM 960 CA GLN A 61 -4.076 -4.009 -4.971 1.00 5.45 C ATOM 961 C GLN A 61 -3.572 -4.276 -3.543 1.00 65.10 C ATOM 962 O GLN A 61 -3.319 -5.423 -3.159 1.00 54.02 O ATOM 963 CB GLN A 61 -5.612 -3.863 -4.943 1.00 12.54 C ATOM 964 CG GLN A 61 -6.220 -3.174 -6.167 1.00 24.22 C ATOM 965 CD GLN A 61 -6.213 -4.036 -7.418 1.00 33.44 C ATOM 966 OE1 GLN A 61 -5.282 -4.000 -8.209 1.00 62.22 O ATOM 967 NE2 GLN A 61 -7.261 -4.812 -7.609 1.00 24.32 N ATOM 0 H GLN A 61 -4.090 -5.975 -5.736 1.00 73.40 H new ATOM 0 HA GLN A 61 -3.639 -3.081 -5.339 1.00 5.45 H new ATOM 0 HB2 GLN A 61 -6.054 -4.855 -4.846 1.00 12.54 H new ATOM 0 HB3 GLN A 61 -5.892 -3.301 -4.052 1.00 12.54 H new ATOM 0 HG2 GLN A 61 -7.247 -2.888 -5.939 1.00 24.22 H new ATOM 0 HG3 GLN A 61 -5.669 -2.255 -6.367 1.00 24.22 H new ATOM 0 HE21 GLN A 61 -8.021 -4.819 -6.929 1.00 24.32 H new ATOM 0 HE22 GLN A 61 -7.312 -5.406 -8.437 1.00 24.32 H new ATOM 976 N VAL A 62 -3.427 -3.201 -2.768 1.00 63.41 N ATOM 977 CA VAL A 62 -2.984 -3.282 -1.370 1.00 72.21 C ATOM 978 C VAL A 62 -3.983 -2.580 -0.438 1.00 4.33 C ATOM 979 O VAL A 62 -4.461 -1.487 -0.737 1.00 31.51 O ATOM 980 CB VAL A 62 -1.588 -2.626 -1.172 1.00 31.42 C ATOM 981 CG1 VAL A 62 -1.095 -2.803 0.267 1.00 23.34 C ATOM 982 CG2 VAL A 62 -0.570 -3.181 -2.169 1.00 11.31 C ATOM 0 H VAL A 62 -3.612 -2.250 -3.088 1.00 63.41 H new ATOM 0 HA VAL A 62 -2.922 -4.342 -1.123 1.00 72.21 H new ATOM 0 HB VAL A 62 -1.695 -1.558 -1.362 1.00 31.42 H new ATOM 0 HG11 VAL A 62 -0.117 -2.335 0.377 1.00 23.34 H new ATOM 0 HG12 VAL A 62 -1.800 -2.335 0.953 1.00 23.34 H new ATOM 0 HG13 VAL A 62 -1.016 -3.866 0.497 1.00 23.34 H new ATOM 0 HG21 VAL A 62 0.396 -2.704 -2.006 1.00 11.31 H new ATOM 0 HG22 VAL A 62 -0.471 -4.257 -2.027 1.00 11.31 H new ATOM 0 HG23 VAL A 62 -0.908 -2.978 -3.185 1.00 11.31 H new ATOM 992 N PHE A 63 -4.300 -3.215 0.685 1.00 12.40 N ATOM 993 CA PHE A 63 -5.154 -2.612 1.714 1.00 32.12 C ATOM 994 C PHE A 63 -4.342 -2.337 2.988 1.00 60.44 C ATOM 995 O PHE A 63 -3.312 -2.965 3.219 1.00 62.52 O ATOM 996 CB PHE A 63 -6.344 -3.529 2.027 1.00 15.43 C ATOM 997 CG PHE A 63 -7.268 -3.738 0.851 1.00 12.22 C ATOM 998 CD1 PHE A 63 -8.290 -2.836 0.585 1.00 31.21 C ATOM 999 CD2 PHE A 63 -7.113 -4.833 0.007 1.00 71.41 C ATOM 1000 CE1 PHE A 63 -9.134 -3.021 -0.494 1.00 63.23 C ATOM 1001 CE2 PHE A 63 -7.956 -5.022 -1.071 1.00 10.11 C ATOM 1002 CZ PHE A 63 -8.970 -4.116 -1.322 1.00 23.44 C ATOM 0 H PHE A 63 -3.977 -4.156 0.911 1.00 12.40 H new ATOM 0 HA PHE A 63 -5.537 -1.665 1.335 1.00 32.12 H new ATOM 0 HB2 PHE A 63 -5.969 -4.496 2.361 1.00 15.43 H new ATOM 0 HB3 PHE A 63 -6.912 -3.104 2.855 1.00 15.43 H new ATOM 0 HD1 PHE A 63 -8.427 -1.980 1.229 1.00 31.21 H new ATOM 0 HD2 PHE A 63 -6.323 -5.545 0.197 1.00 71.41 H new ATOM 0 HE1 PHE A 63 -9.922 -2.309 -0.690 1.00 63.23 H new ATOM 0 HE2 PHE A 63 -7.823 -5.877 -1.717 1.00 10.11 H new ATOM 0 HZ PHE A 63 -9.632 -4.263 -2.162 1.00 23.44 H new ATOM 1012 N ARG A 64 -4.807 -1.410 3.817 1.00 20.21 N ATOM 1013 CA ARG A 64 -4.057 -0.998 5.010 1.00 50.15 C ATOM 1014 C ARG A 64 -4.723 -1.491 6.299 1.00 70.21 C ATOM 1015 O ARG A 64 -5.931 -1.351 6.480 1.00 62.33 O ATOM 1016 CB ARG A 64 -3.929 0.535 5.047 1.00 13.51 C ATOM 1017 CG ARG A 64 -3.141 1.067 6.243 1.00 13.34 C ATOM 1018 CD ARG A 64 -3.053 2.594 6.237 1.00 20.54 C ATOM 1019 NE ARG A 64 -2.241 3.107 7.341 1.00 2.41 N ATOM 1020 CZ ARG A 64 -1.922 4.368 7.500 1.00 61.30 C ATOM 1021 NH1 ARG A 64 -2.343 5.269 6.674 1.00 53.54 N ATOM 1022 NH2 ARG A 64 -1.189 4.726 8.500 1.00 13.13 N ATOM 0 H ARG A 64 -5.697 -0.927 3.691 1.00 20.21 H new ATOM 0 HA ARG A 64 -3.067 -1.450 4.950 1.00 50.15 H new ATOM 0 HB2 ARG A 64 -3.446 0.871 4.129 1.00 13.51 H new ATOM 0 HB3 ARG A 64 -4.928 0.972 5.060 1.00 13.51 H new ATOM 0 HG2 ARG A 64 -3.615 0.735 7.166 1.00 13.34 H new ATOM 0 HG3 ARG A 64 -2.136 0.646 6.231 1.00 13.34 H new ATOM 0 HD2 ARG A 64 -2.628 2.928 5.290 1.00 20.54 H new ATOM 0 HD3 ARG A 64 -4.057 3.014 6.301 1.00 20.54 H new ATOM 0 HE ARG A 64 -1.901 2.439 8.033 1.00 2.41 H new ATOM 0 HH11 ARG A 64 -2.932 5.002 5.885 1.00 53.54 H new ATOM 0 HH12 ARG A 64 -2.086 6.247 6.811 1.00 53.54 H new ATOM 0 HH21 ARG A 64 -0.858 4.028 9.166 1.00 13.13 H new ATOM 0 HH22 ARG A 64 -0.940 5.707 8.624 1.00 13.13 H new ATOM 1036 N ILE A 65 -3.935 -2.076 7.196 1.00 63.31 N ATOM 1037 CA ILE A 65 -4.438 -2.448 8.519 1.00 21.44 C ATOM 1038 C ILE A 65 -4.101 -1.351 9.536 1.00 73.44 C ATOM 1039 O ILE A 65 -2.940 -1.172 9.913 1.00 21.22 O ATOM 1040 CB ILE A 65 -3.858 -3.799 9.010 1.00 4.50 C ATOM 1041 CG1 ILE A 65 -4.133 -4.913 7.980 1.00 30.15 C ATOM 1042 CG2 ILE A 65 -4.450 -4.167 10.372 1.00 35.55 C ATOM 1043 CD1 ILE A 65 -3.652 -6.283 8.414 1.00 20.13 C ATOM 0 H ILE A 65 -2.953 -2.302 7.036 1.00 63.31 H new ATOM 0 HA ILE A 65 -5.519 -2.561 8.431 1.00 21.44 H new ATOM 0 HB ILE A 65 -2.779 -3.694 9.119 1.00 4.50 H new ATOM 0 HG12 ILE A 65 -5.205 -4.959 7.787 1.00 30.15 H new ATOM 0 HG13 ILE A 65 -3.651 -4.651 7.038 1.00 30.15 H new ATOM 0 HG21 ILE A 65 -4.034 -5.118 10.705 1.00 35.55 H new ATOM 0 HG22 ILE A 65 -4.205 -3.390 11.097 1.00 35.55 H new ATOM 0 HG23 ILE A 65 -5.533 -4.255 10.286 1.00 35.55 H new ATOM 0 HD11 ILE A 65 -3.882 -7.012 7.637 1.00 20.13 H new ATOM 0 HD12 ILE A 65 -2.575 -6.255 8.579 1.00 20.13 H new ATOM 0 HD13 ILE A 65 -4.153 -6.568 9.339 1.00 20.13 H new ATOM 1055 N GLU A 66 -5.112 -0.599 9.963 1.00 2.43 N ATOM 1056 CA GLU A 66 -4.906 0.516 10.889 1.00 42.24 C ATOM 1057 C GLU A 66 -5.112 0.075 12.344 1.00 14.22 C ATOM 1058 O GLU A 66 -6.167 -0.458 12.697 1.00 3.41 O ATOM 1059 CB GLU A 66 -5.850 1.672 10.541 1.00 23.35 C ATOM 1060 CG GLU A 66 -5.641 2.916 11.398 1.00 10.22 C ATOM 1061 CD GLU A 66 -4.195 3.392 11.395 1.00 10.52 C ATOM 1062 OE1 GLU A 66 -3.753 3.960 10.376 1.00 31.14 O ATOM 1063 OE2 GLU A 66 -3.488 3.189 12.410 1.00 22.34 O ATOM 0 H GLU A 66 -6.083 -0.740 9.684 1.00 2.43 H new ATOM 0 HA GLU A 66 -3.876 0.857 10.786 1.00 42.24 H new ATOM 0 HB2 GLU A 66 -5.714 1.937 9.493 1.00 23.35 H new ATOM 0 HB3 GLU A 66 -6.880 1.334 10.653 1.00 23.35 H new ATOM 0 HG2 GLU A 66 -6.284 3.717 11.033 1.00 10.22 H new ATOM 0 HG3 GLU A 66 -5.948 2.703 12.422 1.00 10.22 H new ATOM 1070 N ASP A 67 -4.099 0.309 13.179 1.00 4.42 N ATOM 1071 CA ASP A 67 -4.098 -0.134 14.579 1.00 2.25 C ATOM 1072 C ASP A 67 -4.164 -1.671 14.672 1.00 11.24 C ATOM 1073 O ASP A 67 -3.154 -2.342 14.889 1.00 72.44 O ATOM 1074 CB ASP A 67 -5.263 0.506 15.357 1.00 65.12 C ATOM 1075 CG ASP A 67 -5.165 0.250 16.847 1.00 61.42 C ATOM 1076 OD1 ASP A 67 -4.341 0.914 17.512 1.00 72.31 O ATOM 1077 OD2 ASP A 67 -5.895 -0.624 17.361 1.00 23.32 O ATOM 0 H ASP A 67 -3.254 0.811 12.906 1.00 4.42 H new ATOM 0 HA ASP A 67 -3.163 0.193 15.033 1.00 2.25 H new ATOM 0 HB2 ASP A 67 -5.273 1.581 15.175 1.00 65.12 H new ATOM 0 HB3 ASP A 67 -6.208 0.111 14.983 1.00 65.12 H new ATOM 1082 N SER A 68 -5.360 -2.215 14.488 1.00 15.22 N ATOM 1083 CA SER A 68 -5.577 -3.667 14.495 1.00 41.35 C ATOM 1084 C SER A 68 -6.726 -4.051 13.553 1.00 71.41 C ATOM 1085 O SER A 68 -7.145 -5.208 13.492 1.00 75.44 O ATOM 1086 CB SER A 68 -5.879 -4.142 15.924 1.00 1.41 C ATOM 1087 OG SER A 68 -6.175 -5.531 15.968 1.00 1.44 O ATOM 0 H SER A 68 -6.208 -1.670 14.330 1.00 15.22 H new ATOM 0 HA SER A 68 -4.670 -4.156 14.140 1.00 41.35 H new ATOM 0 HB2 SER A 68 -5.023 -3.933 16.565 1.00 1.41 H new ATOM 0 HB3 SER A 68 -6.722 -3.578 16.324 1.00 1.41 H new ATOM 0 HG SER A 68 -6.459 -5.833 15.080 1.00 1.44 H new ATOM 1093 N ILE A 69 -7.213 -3.071 12.790 1.00 32.55 N ATOM 1094 CA ILE A 69 -8.381 -3.255 11.922 1.00 5.21 C ATOM 1095 C ILE A 69 -7.983 -3.275 10.435 1.00 12.42 C ATOM 1096 O ILE A 69 -7.417 -2.303 9.925 1.00 73.33 O ATOM 1097 CB ILE A 69 -9.419 -2.118 12.130 1.00 4.14 C ATOM 1098 CG1 ILE A 69 -9.698 -1.898 13.629 1.00 44.12 C ATOM 1099 CG2 ILE A 69 -10.714 -2.429 11.379 1.00 20.11 C ATOM 1100 CD1 ILE A 69 -10.185 -3.132 14.359 1.00 22.41 C ATOM 0 H ILE A 69 -6.813 -2.133 12.755 1.00 32.55 H new ATOM 0 HA ILE A 69 -8.820 -4.214 12.195 1.00 5.21 H new ATOM 0 HB ILE A 69 -9.000 -1.196 11.725 1.00 4.14 H new ATOM 0 HG12 ILE A 69 -8.786 -1.543 14.108 1.00 44.12 H new ATOM 0 HG13 ILE A 69 -10.442 -1.109 13.736 1.00 44.12 H new ATOM 0 HG21 ILE A 69 -11.429 -1.621 11.537 1.00 20.11 H new ATOM 0 HG22 ILE A 69 -10.503 -2.524 10.314 1.00 20.11 H new ATOM 0 HG23 ILE A 69 -11.135 -3.363 11.750 1.00 20.11 H new ATOM 0 HD11 ILE A 69 -10.357 -2.890 15.408 1.00 22.41 H new ATOM 0 HD12 ILE A 69 -11.116 -3.478 13.909 1.00 22.41 H new ATOM 0 HD13 ILE A 69 -9.433 -3.918 14.287 1.00 22.41 H new ATOM 1112 N PRO A 70 -8.267 -4.379 9.715 1.00 64.30 N ATOM 1113 CA PRO A 70 -8.025 -4.456 8.267 1.00 41.34 C ATOM 1114 C PRO A 70 -8.979 -3.545 7.473 1.00 2.43 C ATOM 1115 O PRO A 70 -10.126 -3.908 7.203 1.00 32.00 O ATOM 1116 CB PRO A 70 -8.269 -5.938 7.941 1.00 52.14 C ATOM 1117 CG PRO A 70 -9.189 -6.416 9.011 1.00 63.14 C ATOM 1118 CD PRO A 70 -8.824 -5.637 10.250 1.00 41.22 C ATOM 0 HA PRO A 70 -7.026 -4.117 7.994 1.00 41.34 H new ATOM 0 HB2 PRO A 70 -8.715 -6.058 6.953 1.00 52.14 H new ATOM 0 HB3 PRO A 70 -7.336 -6.502 7.940 1.00 52.14 H new ATOM 0 HG2 PRO A 70 -10.230 -6.246 8.736 1.00 63.14 H new ATOM 0 HG3 PRO A 70 -9.074 -7.487 9.175 1.00 63.14 H new ATOM 0 HD2 PRO A 70 -9.694 -5.454 10.880 1.00 41.22 H new ATOM 0 HD3 PRO A 70 -8.095 -6.171 10.860 1.00 41.22 H new ATOM 1126 N VAL A 71 -8.502 -2.355 7.120 1.00 30.21 N ATOM 1127 CA VAL A 71 -9.324 -1.370 6.412 1.00 3.30 C ATOM 1128 C VAL A 71 -9.494 -1.757 4.928 1.00 22.33 C ATOM 1129 O VAL A 71 -8.654 -1.448 4.086 1.00 10.24 O ATOM 1130 CB VAL A 71 -8.704 0.050 6.523 1.00 25.20 C ATOM 1131 CG1 VAL A 71 -9.636 1.107 5.931 1.00 34.34 C ATOM 1132 CG2 VAL A 71 -8.358 0.372 7.983 1.00 42.03 C ATOM 0 H VAL A 71 -7.549 -2.046 7.312 1.00 30.21 H new ATOM 0 HA VAL A 71 -10.307 -1.360 6.883 1.00 3.30 H new ATOM 0 HB VAL A 71 -7.781 0.065 5.943 1.00 25.20 H new ATOM 0 HG11 VAL A 71 -9.176 2.091 6.023 1.00 34.34 H new ATOM 0 HG12 VAL A 71 -9.814 0.887 4.878 1.00 34.34 H new ATOM 0 HG13 VAL A 71 -10.584 1.099 6.469 1.00 34.34 H new ATOM 0 HG21 VAL A 71 -7.925 1.370 8.043 1.00 42.03 H new ATOM 0 HG22 VAL A 71 -9.263 0.333 8.589 1.00 42.03 H new ATOM 0 HG23 VAL A 71 -7.640 -0.358 8.356 1.00 42.03 H new ATOM 1142 N LEU A 72 -10.591 -2.455 4.627 1.00 41.54 N ATOM 1143 CA LEU A 72 -10.855 -2.951 3.266 1.00 61.42 C ATOM 1144 C LEU A 72 -11.680 -1.954 2.431 1.00 1.42 C ATOM 1145 O LEU A 72 -12.303 -2.332 1.436 1.00 34.00 O ATOM 1146 CB LEU A 72 -11.591 -4.299 3.345 1.00 54.41 C ATOM 1147 CG LEU A 72 -10.841 -5.417 4.092 1.00 63.25 C ATOM 1148 CD1 LEU A 72 -11.657 -6.707 4.099 1.00 63.43 C ATOM 1149 CD2 LEU A 72 -9.462 -5.650 3.475 1.00 24.31 C ATOM 0 H LEU A 72 -11.315 -2.692 5.306 1.00 41.54 H new ATOM 0 HA LEU A 72 -9.894 -3.075 2.767 1.00 61.42 H new ATOM 0 HB2 LEU A 72 -12.553 -4.141 3.833 1.00 54.41 H new ATOM 0 HB3 LEU A 72 -11.800 -4.640 2.331 1.00 54.41 H new ATOM 0 HG LEU A 72 -10.701 -5.100 5.125 1.00 63.25 H new ATOM 0 HD11 LEU A 72 -11.107 -7.482 4.632 1.00 63.43 H new ATOM 0 HD12 LEU A 72 -12.611 -6.531 4.596 1.00 63.43 H new ATOM 0 HD13 LEU A 72 -11.837 -7.030 3.073 1.00 63.43 H new ATOM 0 HD21 LEU A 72 -8.950 -6.444 4.018 1.00 24.31 H new ATOM 0 HD22 LEU A 72 -9.575 -5.940 2.430 1.00 24.31 H new ATOM 0 HD23 LEU A 72 -8.877 -4.733 3.536 1.00 24.31 H new ATOM 1161 N LEU A 73 -11.663 -0.682 2.827 1.00 71.04 N ATOM 1162 CA LEU A 73 -12.422 0.361 2.123 1.00 31.34 C ATOM 1163 C LEU A 73 -11.914 0.553 0.681 1.00 3.04 C ATOM 1164 O LEU A 73 -10.705 0.629 0.448 1.00 54.43 O ATOM 1165 CB LEU A 73 -12.330 1.692 2.887 1.00 70.51 C ATOM 1166 CG LEU A 73 -12.860 1.661 4.331 1.00 21.14 C ATOM 1167 CD1 LEU A 73 -12.755 3.044 4.975 1.00 50.41 C ATOM 1168 CD2 LEU A 73 -14.300 1.156 4.372 1.00 32.22 C ATOM 0 H LEU A 73 -11.133 -0.345 3.631 1.00 71.04 H new ATOM 0 HA LEU A 73 -13.462 0.039 2.077 1.00 31.34 H new ATOM 0 HB2 LEU A 73 -11.287 2.009 2.907 1.00 70.51 H new ATOM 0 HB3 LEU A 73 -12.882 2.450 2.331 1.00 70.51 H new ATOM 0 HG LEU A 73 -12.242 0.969 4.903 1.00 21.14 H new ATOM 0 HD11 LEU A 73 -13.135 3.000 5.996 1.00 50.41 H new ATOM 0 HD12 LEU A 73 -11.712 3.360 4.990 1.00 50.41 H new ATOM 0 HD13 LEU A 73 -13.343 3.759 4.399 1.00 50.41 H new ATOM 0 HD21 LEU A 73 -14.652 1.143 5.404 1.00 32.22 H new ATOM 0 HD22 LEU A 73 -14.934 1.816 3.780 1.00 32.22 H new ATOM 0 HD23 LEU A 73 -14.344 0.147 3.961 1.00 32.22 H new ATOM 1180 N PRO A 74 -12.831 0.659 -0.305 1.00 4.21 N ATOM 1181 CA PRO A 74 -12.462 0.821 -1.729 1.00 60.34 C ATOM 1182 C PRO A 74 -11.562 2.045 -1.979 1.00 32.35 C ATOM 1183 O PRO A 74 -10.773 2.066 -2.924 1.00 64.53 O ATOM 1184 CB PRO A 74 -13.821 0.987 -2.441 1.00 75.13 C ATOM 1185 CG PRO A 74 -14.794 1.324 -1.358 1.00 20.44 C ATOM 1186 CD PRO A 74 -14.292 0.630 -0.124 1.00 61.53 C ATOM 0 HA PRO A 74 -11.879 -0.026 -2.091 1.00 60.34 H new ATOM 0 HB2 PRO A 74 -13.778 1.777 -3.191 1.00 75.13 H new ATOM 0 HB3 PRO A 74 -14.109 0.071 -2.958 1.00 75.13 H new ATOM 0 HG2 PRO A 74 -14.850 2.402 -1.205 1.00 20.44 H new ATOM 0 HG3 PRO A 74 -15.798 0.986 -1.615 1.00 20.44 H new ATOM 0 HD2 PRO A 74 -14.597 1.149 0.785 1.00 61.53 H new ATOM 0 HD3 PRO A 74 -14.670 -0.390 -0.051 1.00 61.53 H new ATOM 1194 N GLU A 75 -11.692 3.059 -1.123 1.00 65.02 N ATOM 1195 CA GLU A 75 -10.871 4.275 -1.213 1.00 2.11 C ATOM 1196 C GLU A 75 -9.446 4.044 -0.675 1.00 71.35 C ATOM 1197 O GLU A 75 -8.486 4.647 -1.152 1.00 35.44 O ATOM 1198 CB GLU A 75 -11.542 5.415 -0.433 1.00 45.42 C ATOM 1199 CG GLU A 75 -11.732 5.114 1.054 1.00 53.11 C ATOM 1200 CD GLU A 75 -12.388 6.257 1.810 1.00 52.42 C ATOM 1201 OE1 GLU A 75 -11.692 7.243 2.125 1.00 42.13 O ATOM 1202 OE2 GLU A 75 -13.599 6.175 2.100 1.00 74.20 O ATOM 0 H GLU A 75 -12.361 3.065 -0.353 1.00 65.02 H new ATOM 0 HA GLU A 75 -10.790 4.544 -2.266 1.00 2.11 H new ATOM 0 HB2 GLU A 75 -10.941 6.318 -0.538 1.00 45.42 H new ATOM 0 HB3 GLU A 75 -12.514 5.626 -0.879 1.00 45.42 H new ATOM 0 HG2 GLU A 75 -12.341 4.216 1.163 1.00 53.11 H new ATOM 0 HG3 GLU A 75 -10.762 4.898 1.502 1.00 53.11 H new ATOM 1209 N GLU A 76 -9.323 3.153 0.309 1.00 44.25 N ATOM 1210 CA GLU A 76 -8.040 2.879 0.975 1.00 1.22 C ATOM 1211 C GLU A 76 -7.099 2.051 0.075 1.00 74.35 C ATOM 1212 O GLU A 76 -5.883 2.024 0.285 1.00 33.21 O ATOM 1213 CB GLU A 76 -8.308 2.132 2.296 1.00 25.11 C ATOM 1214 CG GLU A 76 -7.085 1.954 3.200 1.00 72.12 C ATOM 1215 CD GLU A 76 -6.578 3.257 3.812 1.00 21.14 C ATOM 1216 OE1 GLU A 76 -7.412 4.086 4.244 1.00 64.34 O ATOM 1217 OE2 GLU A 76 -5.344 3.443 3.898 1.00 40.31 O ATOM 0 H GLU A 76 -10.102 2.601 0.669 1.00 44.25 H new ATOM 0 HA GLU A 76 -7.544 3.828 1.178 1.00 1.22 H new ATOM 0 HB2 GLU A 76 -9.076 2.671 2.851 1.00 25.11 H new ATOM 0 HB3 GLU A 76 -8.715 1.148 2.063 1.00 25.11 H new ATOM 0 HG2 GLU A 76 -7.335 1.260 4.002 1.00 72.12 H new ATOM 0 HG3 GLU A 76 -6.281 1.497 2.623 1.00 72.12 H new ATOM 1224 N ALA A 77 -7.670 1.396 -0.936 1.00 43.33 N ATOM 1225 CA ALA A 77 -6.912 0.518 -1.840 1.00 12.02 C ATOM 1226 C ALA A 77 -5.790 1.254 -2.598 1.00 23.21 C ATOM 1227 O ALA A 77 -5.993 2.334 -3.157 1.00 63.31 O ATOM 1228 CB ALA A 77 -7.866 -0.147 -2.829 1.00 54.11 C ATOM 0 H ALA A 77 -8.665 1.455 -1.154 1.00 43.33 H new ATOM 0 HA ALA A 77 -6.426 -0.236 -1.221 1.00 12.02 H new ATOM 0 HB1 ALA A 77 -7.302 -0.797 -3.498 1.00 54.11 H new ATOM 0 HB2 ALA A 77 -8.602 -0.738 -2.284 1.00 54.11 H new ATOM 0 HB3 ALA A 77 -8.377 0.619 -3.413 1.00 54.11 H new ATOM 1234 N ILE A 78 -4.597 0.654 -2.597 1.00 43.21 N ATOM 1235 CA ILE A 78 -3.436 1.180 -3.331 1.00 74.21 C ATOM 1236 C ILE A 78 -3.036 0.234 -4.481 1.00 4.21 C ATOM 1237 O ILE A 78 -3.178 -0.983 -4.368 1.00 72.31 O ATOM 1238 CB ILE A 78 -2.220 1.368 -2.380 1.00 64.24 C ATOM 1239 CG1 ILE A 78 -2.569 2.338 -1.239 1.00 30.04 C ATOM 1240 CG2 ILE A 78 -0.989 1.859 -3.146 1.00 72.03 C ATOM 1241 CD1 ILE A 78 -2.935 3.734 -1.708 1.00 64.20 C ATOM 0 H ILE A 78 -4.406 -0.209 -2.089 1.00 43.21 H new ATOM 0 HA ILE A 78 -3.722 2.147 -3.746 1.00 74.21 H new ATOM 0 HB ILE A 78 -1.981 0.397 -1.947 1.00 64.24 H new ATOM 0 HG12 ILE A 78 -3.402 1.927 -0.668 1.00 30.04 H new ATOM 0 HG13 ILE A 78 -1.719 2.405 -0.560 1.00 30.04 H new ATOM 0 HG21 ILE A 78 -0.155 1.981 -2.455 1.00 72.03 H new ATOM 0 HG22 ILE A 78 -0.722 1.130 -3.911 1.00 72.03 H new ATOM 0 HG23 ILE A 78 -1.212 2.816 -3.618 1.00 72.03 H new ATOM 0 HD11 ILE A 78 -3.168 4.358 -0.845 1.00 64.20 H new ATOM 0 HD12 ILE A 78 -2.096 4.166 -2.253 1.00 64.20 H new ATOM 0 HD13 ILE A 78 -3.805 3.681 -2.363 1.00 64.20 H new ATOM 1253 N ALA A 79 -2.537 0.794 -5.587 1.00 23.23 N ATOM 1254 CA ALA A 79 -2.112 -0.015 -6.744 1.00 53.24 C ATOM 1255 C ALA A 79 -0.591 -0.267 -6.743 1.00 20.13 C ATOM 1256 O ALA A 79 0.202 0.676 -6.759 1.00 43.22 O ATOM 1257 CB ALA A 79 -2.533 0.670 -8.042 1.00 31.43 C ATOM 0 H ALA A 79 -2.416 1.799 -5.710 1.00 23.23 H new ATOM 0 HA ALA A 79 -2.604 -0.985 -6.669 1.00 53.24 H new ATOM 0 HB1 ALA A 79 -2.215 0.066 -8.892 1.00 31.43 H new ATOM 0 HB2 ALA A 79 -3.617 0.780 -8.060 1.00 31.43 H new ATOM 0 HB3 ALA A 79 -2.067 1.654 -8.102 1.00 31.43 H new ATOM 1263 N THR A 80 -0.190 -1.541 -6.749 1.00 12.33 N ATOM 1264 CA THR A 80 1.239 -1.917 -6.720 1.00 20.23 C ATOM 1265 C THR A 80 2.009 -1.373 -7.933 1.00 21.52 C ATOM 1266 O THR A 80 3.180 -1.004 -7.827 1.00 2.44 O ATOM 1267 CB THR A 80 1.421 -3.450 -6.689 1.00 71.32 C ATOM 1268 OG1 THR A 80 0.819 -4.028 -7.855 1.00 4.41 O ATOM 1269 CG2 THR A 80 0.805 -4.057 -5.434 1.00 21.20 C ATOM 0 H THR A 80 -0.830 -2.335 -6.774 1.00 12.33 H new ATOM 0 HA THR A 80 1.641 -1.473 -5.809 1.00 20.23 H new ATOM 0 HB THR A 80 2.489 -3.667 -6.678 1.00 71.32 H new ATOM 0 HG1 THR A 80 0.631 -4.976 -7.691 1.00 4.41 H new ATOM 0 HG21 THR A 80 0.950 -5.137 -5.443 1.00 21.20 H new ATOM 0 HG22 THR A 80 1.285 -3.634 -4.552 1.00 21.20 H new ATOM 0 HG23 THR A 80 -0.262 -3.835 -5.408 1.00 21.20 H new ATOM 1277 N ILE A 81 1.347 -1.338 -9.087 1.00 42.40 N ATOM 1278 CA ILE A 81 1.961 -0.845 -10.328 1.00 54.23 C ATOM 1279 C ILE A 81 2.353 0.648 -10.232 1.00 75.22 C ATOM 1280 O ILE A 81 3.231 1.118 -10.955 1.00 10.11 O ATOM 1281 CB ILE A 81 1.019 -1.087 -11.540 1.00 53.21 C ATOM 1282 CG1 ILE A 81 1.672 -0.599 -12.844 1.00 20.04 C ATOM 1283 CG2 ILE A 81 -0.340 -0.422 -11.317 1.00 42.33 C ATOM 1284 CD1 ILE A 81 0.874 -0.930 -14.084 1.00 73.23 C ATOM 0 H ILE A 81 0.380 -1.646 -9.194 1.00 42.40 H new ATOM 0 HA ILE A 81 2.880 -1.411 -10.479 1.00 54.23 H new ATOM 0 HB ILE A 81 0.851 -2.160 -11.632 1.00 53.21 H new ATOM 0 HG12 ILE A 81 1.810 0.481 -12.789 1.00 20.04 H new ATOM 0 HG13 ILE A 81 2.664 -1.043 -12.932 1.00 20.04 H new ATOM 0 HG21 ILE A 81 -0.981 -0.606 -12.179 1.00 42.33 H new ATOM 0 HG22 ILE A 81 -0.806 -0.837 -10.423 1.00 42.33 H new ATOM 0 HG23 ILE A 81 -0.203 0.652 -11.189 1.00 42.33 H new ATOM 0 HD11 ILE A 81 1.397 -0.555 -14.964 1.00 73.23 H new ATOM 0 HD12 ILE A 81 0.758 -2.011 -14.164 1.00 73.23 H new ATOM 0 HD13 ILE A 81 -0.109 -0.463 -14.019 1.00 73.23 H new ATOM 1296 N GLN A 82 1.716 1.386 -9.320 1.00 52.42 N ATOM 1297 CA GLN A 82 2.062 2.799 -9.077 1.00 15.32 C ATOM 1298 C GLN A 82 3.177 2.944 -8.018 1.00 42.31 C ATOM 1299 O GLN A 82 3.569 4.057 -7.658 1.00 14.21 O ATOM 1300 CB GLN A 82 0.811 3.590 -8.648 1.00 34.31 C ATOM 1301 CG GLN A 82 -0.026 4.140 -9.809 1.00 63.03 C ATOM 1302 CD GLN A 82 -0.491 3.072 -10.790 1.00 62.03 C ATOM 1303 OE1 GLN A 82 -1.547 2.468 -10.623 1.00 45.13 O ATOM 1304 NE2 GLN A 82 0.287 2.843 -11.832 1.00 25.41 N ATOM 0 H GLN A 82 0.958 1.034 -8.735 1.00 52.42 H new ATOM 0 HA GLN A 82 2.442 3.210 -10.013 1.00 15.32 H new ATOM 0 HB2 GLN A 82 0.181 2.944 -8.037 1.00 34.31 H new ATOM 0 HB3 GLN A 82 1.122 4.422 -8.016 1.00 34.31 H new ATOM 0 HG2 GLN A 82 -0.898 4.654 -9.405 1.00 63.03 H new ATOM 0 HG3 GLN A 82 0.561 4.884 -10.347 1.00 63.03 H new ATOM 0 HE21 GLN A 82 1.158 3.362 -11.942 1.00 25.41 H new ATOM 0 HE22 GLN A 82 0.017 2.147 -12.527 1.00 25.41 H new ATOM 1313 N ILE A 83 3.687 1.816 -7.524 1.00 31.21 N ATOM 1314 CA ILE A 83 4.776 1.815 -6.537 1.00 60.34 C ATOM 1315 C ILE A 83 6.133 1.546 -7.214 1.00 1.00 C ATOM 1316 O ILE A 83 6.480 0.399 -7.492 1.00 22.42 O ATOM 1317 CB ILE A 83 4.532 0.752 -5.429 1.00 32.14 C ATOM 1318 CG1 ILE A 83 3.166 0.974 -4.755 1.00 1.15 C ATOM 1319 CG2 ILE A 83 5.659 0.779 -4.391 1.00 2.04 C ATOM 1320 CD1 ILE A 83 3.009 2.334 -4.105 1.00 72.42 C ATOM 0 H ILE A 83 3.364 0.886 -7.790 1.00 31.21 H new ATOM 0 HA ILE A 83 4.795 2.803 -6.078 1.00 60.34 H new ATOM 0 HB ILE A 83 4.526 -0.232 -5.898 1.00 32.14 H new ATOM 0 HG12 ILE A 83 2.381 0.847 -5.500 1.00 1.15 H new ATOM 0 HG13 ILE A 83 3.016 0.203 -3.999 1.00 1.15 H new ATOM 0 HG21 ILE A 83 5.467 0.027 -3.626 1.00 2.04 H new ATOM 0 HG22 ILE A 83 6.609 0.565 -4.880 1.00 2.04 H new ATOM 0 HG23 ILE A 83 5.704 1.765 -3.928 1.00 2.04 H new ATOM 0 HD11 ILE A 83 2.020 2.409 -3.654 1.00 72.42 H new ATOM 0 HD12 ILE A 83 3.770 2.459 -3.335 1.00 72.42 H new ATOM 0 HD13 ILE A 83 3.124 3.113 -4.859 1.00 72.42 H new ATOM 1332 N ALA A 84 6.897 2.612 -7.461 1.00 22.33 N ATOM 1333 CA ALA A 84 8.184 2.521 -8.178 1.00 11.12 C ATOM 1334 C ALA A 84 9.322 1.931 -7.317 1.00 54.25 C ATOM 1335 O ALA A 84 10.484 1.924 -7.732 1.00 62.20 O ATOM 1336 CB ALA A 84 8.577 3.905 -8.691 1.00 35.02 C ATOM 0 H ALA A 84 6.649 3.559 -7.175 1.00 22.33 H new ATOM 0 HA ALA A 84 8.040 1.832 -9.010 1.00 11.12 H new ATOM 0 HB1 ALA A 84 9.527 3.840 -9.221 1.00 35.02 H new ATOM 0 HB2 ALA A 84 7.808 4.274 -9.369 1.00 35.02 H new ATOM 0 HB3 ALA A 84 8.677 4.590 -7.849 1.00 35.02 H new ATOM 1342 N ASN A 85 8.991 1.433 -6.127 1.00 24.50 N ATOM 1343 CA ASN A 85 9.993 0.843 -5.224 1.00 32.45 C ATOM 1344 C ASN A 85 9.666 -0.624 -4.893 1.00 61.44 C ATOM 1345 O ASN A 85 10.299 -1.229 -4.029 1.00 43.01 O ATOM 1346 CB ASN A 85 10.074 1.663 -3.926 1.00 11.13 C ATOM 1347 CG ASN A 85 10.506 3.102 -4.158 1.00 51.22 C ATOM 1348 OD1 ASN A 85 11.256 3.403 -5.078 1.00 11.24 O ATOM 1349 ND2 ASN A 85 10.034 4.006 -3.324 1.00 20.31 N ATOM 0 H ASN A 85 8.039 1.424 -5.761 1.00 24.50 H new ATOM 0 HA ASN A 85 10.956 0.865 -5.735 1.00 32.45 H new ATOM 0 HB2 ASN A 85 9.100 1.656 -3.437 1.00 11.13 H new ATOM 0 HB3 ASN A 85 10.776 1.184 -3.244 1.00 11.13 H new ATOM 0 HD21 ASN A 85 10.292 4.987 -3.436 1.00 20.31 H new ATOM 0 HD22 ASN A 85 9.411 3.725 -2.567 1.00 20.31 H new ATOM 1356 N PHE A 86 8.685 -1.193 -5.591 1.00 64.11 N ATOM 1357 CA PHE A 86 8.211 -2.550 -5.302 1.00 23.52 C ATOM 1358 C PHE A 86 9.296 -3.612 -5.595 1.00 61.23 C ATOM 1359 O PHE A 86 9.942 -3.577 -6.650 1.00 43.12 O ATOM 1360 CB PHE A 86 6.943 -2.837 -6.123 1.00 22.14 C ATOM 1361 CG PHE A 86 6.025 -3.848 -5.482 1.00 40.23 C ATOM 1362 CD1 PHE A 86 5.249 -3.488 -4.393 1.00 2.12 C ATOM 1363 CD2 PHE A 86 5.940 -5.146 -5.964 1.00 14.41 C ATOM 1364 CE1 PHE A 86 4.405 -4.403 -3.791 1.00 31.54 C ATOM 1365 CE2 PHE A 86 5.098 -6.065 -5.367 1.00 2.51 C ATOM 1366 CZ PHE A 86 4.329 -5.694 -4.281 1.00 1.31 C ATOM 0 H PHE A 86 8.200 -0.736 -6.363 1.00 64.11 H new ATOM 0 HA PHE A 86 7.980 -2.610 -4.239 1.00 23.52 H new ATOM 0 HB2 PHE A 86 6.397 -1.905 -6.271 1.00 22.14 H new ATOM 0 HB3 PHE A 86 7.233 -3.196 -7.110 1.00 22.14 H new ATOM 0 HD1 PHE A 86 5.304 -2.480 -4.009 1.00 2.12 H new ATOM 0 HD2 PHE A 86 6.537 -5.441 -6.814 1.00 14.41 H new ATOM 0 HE1 PHE A 86 3.807 -4.110 -2.941 1.00 31.54 H new ATOM 0 HE2 PHE A 86 5.041 -7.073 -5.750 1.00 2.51 H new ATOM 0 HZ PHE A 86 3.669 -6.411 -3.815 1.00 1.31 H new