USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 TYR OH : rot 180:sc= 0.332 USER MOD Set 1.2: A 46 GLN : amide:sc= 0.82 K(o=1.8,f=-2.1) USER MOD Set 1.3: A 82 SER OG : rot 158:sc= 0.0471 USER MOD Set 1.4: A 84 ASN : amide:sc= -0.195 X(o=1.8,f=1.7) USER MOD Set 1.5: A 85 SER OG : rot -170:sc= 0.755 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.3) USER MOD Single : A 24 TYR OH : rot 79:sc= 0.471 USER MOD Single : A 27 TYR OH : rot -9:sc= 1.27 USER MOD Single : A 28 ASN : amide:sc= 0.158 X(o=0.16,f=-0.32) USER MOD Single : A 41 THR OG1 : rot 67:sc= 0.0954 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 2.01 K(o=2,f=-8.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.234 K(o=-0.23,f=-2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.1) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 102 ASN : amide:sc= -0.0834 X(o=-0.083,f=-0.083) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 128:sc= 0.184 USER MOD Single : A 108 THR OG1 : rot 80:sc= 0.95 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc=-0.00523 X(o=-0.0052,f=-0.0052) USER MOD Single : A 117 GLN : amide:sc= 1.74 K(o=1.7,f=-3.8!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 23:sc= 0.0806 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0026) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -28:sc= 0.0555 USER MOD Single : A 152 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 277 N SER A 20 42.207 1.835 14.047 1.00 0.00 N ATOM 278 CA SER A 20 43.063 2.761 13.295 1.00 0.00 C ATOM 279 C SER A 20 44.123 3.373 14.221 1.00 0.00 C ATOM 280 O SER A 20 44.089 3.171 15.436 1.00 0.00 O ATOM 281 CB SER A 20 42.195 3.854 12.652 1.00 0.00 C ATOM 282 OG SER A 20 42.944 4.582 11.692 1.00 0.00 O ATOM 0 HA SER A 20 43.581 2.218 12.505 1.00 0.00 H new ATOM 0 HB2 SER A 20 41.324 3.402 12.176 1.00 0.00 H new ATOM 0 HB3 SER A 20 41.823 4.531 13.421 1.00 0.00 H new ATOM 0 HG SER A 20 42.377 5.273 11.290 1.00 0.00 H new ATOM 288 N ALA A 21 45.076 4.118 13.664 1.00 0.00 N ATOM 289 CA ALA A 21 46.099 4.834 14.420 1.00 0.00 C ATOM 290 C ALA A 21 45.482 5.972 15.269 1.00 0.00 C ATOM 291 O ALA A 21 44.994 6.966 14.721 1.00 0.00 O ATOM 292 CB ALA A 21 47.148 5.332 13.420 1.00 0.00 C ATOM 0 H ALA A 21 45.159 4.243 12.655 1.00 0.00 H new ATOM 0 HA ALA A 21 46.580 4.173 15.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 47.930 5.873 13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 47.586 4.481 12.898 1.00 0.00 H new ATOM 0 HB3 ALA A 21 46.675 5.996 12.697 1.00 0.00 H new ATOM 298 N GLY A 22 45.474 5.830 16.601 1.00 0.00 N ATOM 299 CA GLY A 22 44.808 6.780 17.510 1.00 0.00 C ATOM 300 C GLY A 22 44.784 6.348 18.981 1.00 0.00 C ATOM 301 O GLY A 22 45.463 5.395 19.366 1.00 0.00 O ATOM 0 H GLY A 22 45.929 5.054 17.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 45.310 7.745 17.437 1.00 0.00 H new ATOM 0 HA3 GLY A 22 43.782 6.928 17.172 1.00 0.00 H new ATOM 305 N ASN A 23 43.996 7.046 19.805 1.00 0.00 N ATOM 306 CA ASN A 23 43.809 6.763 21.230 1.00 0.00 C ATOM 307 C ASN A 23 42.542 5.911 21.443 1.00 0.00 C ATOM 308 O ASN A 23 41.493 6.185 20.853 1.00 0.00 O ATOM 309 CB ASN A 23 43.718 8.083 22.023 1.00 0.00 C ATOM 310 CG ASN A 23 44.967 8.959 21.990 1.00 0.00 C ATOM 311 OD1 ASN A 23 45.587 9.201 20.963 1.00 0.00 O ATOM 312 ND2 ASN A 23 45.379 9.489 23.120 1.00 0.00 N ATOM 0 H ASN A 23 43.454 7.849 19.487 1.00 0.00 H new ATOM 0 HA ASN A 23 44.667 6.198 21.595 1.00 0.00 H new ATOM 0 HB2 ASN A 23 42.880 8.662 21.635 1.00 0.00 H new ATOM 0 HB3 ASN A 23 43.489 7.847 23.062 1.00 0.00 H new ATOM 0 HD21 ASN A 23 46.203 10.091 23.131 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.875 9.299 23.986 1.00 0.00 H new ATOM 319 N TYR A 24 42.635 4.891 22.299 1.00 0.00 N ATOM 320 CA TYR A 24 41.583 3.908 22.566 1.00 0.00 C ATOM 321 C TYR A 24 41.548 3.501 24.051 1.00 0.00 C ATOM 322 O TYR A 24 42.463 3.779 24.829 1.00 0.00 O ATOM 323 CB TYR A 24 41.804 2.661 21.683 1.00 0.00 C ATOM 324 CG TYR A 24 41.580 2.888 20.199 1.00 0.00 C ATOM 325 CD1 TYR A 24 42.587 3.478 19.413 1.00 0.00 C ATOM 326 CD2 TYR A 24 40.353 2.529 19.607 1.00 0.00 C ATOM 327 CE1 TYR A 24 42.344 3.775 18.061 1.00 0.00 C ATOM 328 CE2 TYR A 24 40.118 2.794 18.245 1.00 0.00 C ATOM 329 CZ TYR A 24 41.109 3.434 17.472 1.00 0.00 C ATOM 330 OH TYR A 24 40.863 3.736 16.169 1.00 0.00 O ATOM 0 H TYR A 24 43.479 4.721 22.847 1.00 0.00 H new ATOM 0 HA TYR A 24 40.624 4.366 22.326 1.00 0.00 H new ATOM 0 HB2 TYR A 24 42.822 2.302 21.832 1.00 0.00 H new ATOM 0 HB3 TYR A 24 41.135 1.870 22.021 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.549 3.703 19.850 1.00 0.00 H new ATOM 0 HD2 TYR A 24 39.590 2.048 20.201 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.105 4.265 17.472 1.00 0.00 H new ATOM 0 HE2 TYR A 24 39.180 2.508 17.792 1.00 0.00 H new ATOM 0 HH TYR A 24 41.310 3.082 15.592 1.00 0.00 H new ATOM 340 N ILE A 25 40.498 2.777 24.425 1.00 0.00 N ATOM 341 CA ILE A 25 40.333 2.087 25.710 1.00 0.00 C ATOM 342 C ILE A 25 40.002 0.616 25.450 1.00 0.00 C ATOM 343 O ILE A 25 39.366 0.284 24.448 1.00 0.00 O ATOM 344 CB ILE A 25 39.247 2.757 26.584 1.00 0.00 C ATOM 345 CG1 ILE A 25 37.936 3.005 25.803 1.00 0.00 C ATOM 346 CG2 ILE A 25 39.810 4.055 27.187 1.00 0.00 C ATOM 347 CD1 ILE A 25 36.731 3.327 26.691 1.00 0.00 C ATOM 0 H ILE A 25 39.694 2.646 23.811 1.00 0.00 H new ATOM 0 HA ILE A 25 41.268 2.154 26.267 1.00 0.00 H new ATOM 0 HB ILE A 25 38.984 2.076 27.393 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.091 3.829 25.106 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.708 2.122 25.206 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.047 4.530 27.804 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.681 3.823 27.801 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.102 4.732 26.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.852 3.487 26.067 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.547 2.495 27.370 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.935 4.228 27.269 1.00 0.00 H new ATOM 359 N ILE A 26 40.434 -0.261 26.358 1.00 0.00 N ATOM 360 CA ILE A 26 40.311 -1.718 26.238 1.00 0.00 C ATOM 361 C ILE A 26 39.784 -2.270 27.562 1.00 0.00 C ATOM 362 O ILE A 26 40.384 -2.040 28.616 1.00 0.00 O ATOM 363 CB ILE A 26 41.669 -2.373 25.883 1.00 0.00 C ATOM 364 CG1 ILE A 26 42.303 -1.860 24.566 1.00 0.00 C ATOM 365 CG2 ILE A 26 41.489 -3.897 25.772 1.00 0.00 C ATOM 366 CD1 ILE A 26 43.309 -0.719 24.769 1.00 0.00 C ATOM 0 H ILE A 26 40.892 0.029 27.222 1.00 0.00 H new ATOM 0 HA ILE A 26 39.619 -1.953 25.430 1.00 0.00 H new ATOM 0 HB ILE A 26 42.349 -2.098 26.689 1.00 0.00 H new ATOM 0 HG12 ILE A 26 42.804 -2.690 24.067 1.00 0.00 H new ATOM 0 HG13 ILE A 26 41.510 -1.519 23.900 1.00 0.00 H new ATOM 0 HG21 ILE A 26 42.444 -4.359 25.522 1.00 0.00 H new ATOM 0 HG22 ILE A 26 41.133 -4.292 26.724 1.00 0.00 H new ATOM 0 HG23 ILE A 26 40.762 -4.122 24.991 1.00 0.00 H new ATOM 0 HD11 ILE A 26 43.711 -0.412 23.803 1.00 0.00 H new ATOM 0 HD12 ILE A 26 42.809 0.128 25.239 1.00 0.00 H new ATOM 0 HD13 ILE A 26 44.123 -1.061 25.409 1.00 0.00 H new ATOM 378 N TYR A 27 38.675 -3.007 27.503 1.00 0.00 N ATOM 379 CA TYR A 27 38.023 -3.591 28.680 1.00 0.00 C ATOM 380 C TYR A 27 37.430 -4.977 28.407 1.00 0.00 C ATOM 381 O TYR A 27 37.160 -5.342 27.263 1.00 0.00 O ATOM 382 CB TYR A 27 36.967 -2.616 29.229 1.00 0.00 C ATOM 383 CG TYR A 27 35.838 -2.239 28.290 1.00 0.00 C ATOM 384 CD1 TYR A 27 35.997 -1.155 27.404 1.00 0.00 C ATOM 385 CD2 TYR A 27 34.610 -2.926 28.350 1.00 0.00 C ATOM 386 CE1 TYR A 27 34.928 -0.750 26.586 1.00 0.00 C ATOM 387 CE2 TYR A 27 33.535 -2.520 27.536 1.00 0.00 C ATOM 388 CZ TYR A 27 33.689 -1.426 26.658 1.00 0.00 C ATOM 389 OH TYR A 27 32.630 -1.002 25.923 1.00 0.00 O ATOM 0 H TYR A 27 38.197 -3.219 26.627 1.00 0.00 H new ATOM 0 HA TYR A 27 38.789 -3.746 29.440 1.00 0.00 H new ATOM 0 HB2 TYR A 27 36.531 -3.055 30.126 1.00 0.00 H new ATOM 0 HB3 TYR A 27 37.475 -1.702 29.536 1.00 0.00 H new ATOM 0 HD1 TYR A 27 36.942 -0.634 27.353 1.00 0.00 H new ATOM 0 HD2 TYR A 27 34.493 -3.764 29.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 35.053 0.077 25.903 1.00 0.00 H new ATOM 0 HE2 TYR A 27 32.593 -3.046 27.584 1.00 0.00 H new ATOM 0 HH TYR A 27 32.843 -0.139 25.510 1.00 0.00 H new ATOM 399 N ASN A 28 37.267 -5.782 29.458 1.00 0.00 N ATOM 400 CA ASN A 28 36.740 -7.144 29.339 1.00 0.00 C ATOM 401 C ASN A 28 35.259 -7.152 28.926 1.00 0.00 C ATOM 402 O ASN A 28 34.461 -6.341 29.402 1.00 0.00 O ATOM 403 CB ASN A 28 36.951 -7.891 30.665 1.00 0.00 C ATOM 404 CG ASN A 28 38.427 -8.091 30.938 1.00 0.00 C ATOM 405 OD1 ASN A 28 39.048 -7.335 31.665 1.00 0.00 O ATOM 406 ND2 ASN A 28 39.034 -9.085 30.332 1.00 0.00 N ATOM 0 H ASN A 28 37.496 -5.510 30.414 1.00 0.00 H new ATOM 0 HA ASN A 28 37.286 -7.657 28.548 1.00 0.00 H new ATOM 0 HB2 ASN A 28 36.498 -7.328 31.481 1.00 0.00 H new ATOM 0 HB3 ASN A 28 36.449 -8.858 30.627 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.034 -9.230 30.468 1.00 0.00 H new ATOM 0 HD22 ASN A 28 38.505 -9.712 29.726 1.00 0.00 H new ATOM 413 N ARG A 29 34.871 -8.134 28.099 1.00 0.00 N ATOM 414 CA ARG A 29 33.496 -8.308 27.578 1.00 0.00 C ATOM 415 C ARG A 29 32.440 -8.662 28.650 1.00 0.00 C ATOM 416 O ARG A 29 31.252 -8.758 28.346 1.00 0.00 O ATOM 417 CB ARG A 29 33.549 -9.310 26.404 1.00 0.00 C ATOM 418 CG ARG A 29 32.336 -9.202 25.469 1.00 0.00 C ATOM 419 CD ARG A 29 32.489 -10.071 24.216 1.00 0.00 C ATOM 420 NE ARG A 29 31.292 -9.951 23.363 1.00 0.00 N ATOM 421 CZ ARG A 29 30.118 -10.533 23.525 1.00 0.00 C ATOM 422 NH1 ARG A 29 29.885 -11.417 24.454 1.00 0.00 N ATOM 423 NH2 ARG A 29 29.138 -10.208 22.736 1.00 0.00 N ATOM 0 H ARG A 29 35.516 -8.849 27.763 1.00 0.00 H new ATOM 0 HA ARG A 29 33.141 -7.343 27.216 1.00 0.00 H new ATOM 0 HB2 ARG A 29 34.460 -9.141 25.830 1.00 0.00 H new ATOM 0 HB3 ARG A 29 33.606 -10.324 26.801 1.00 0.00 H new ATOM 0 HG2 ARG A 29 31.437 -9.500 26.008 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.200 -8.162 25.173 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.374 -9.765 23.658 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.637 -11.112 24.503 1.00 0.00 H new ATOM 0 HE ARG A 29 31.382 -9.344 22.548 1.00 0.00 H new ATOM 0 HH11 ARG A 29 30.628 -11.688 25.098 1.00 0.00 H new ATOM 0 HH12 ARG A 29 28.959 -11.838 24.537 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.282 -9.512 22.004 1.00 0.00 H new ATOM 0 HH22 ARG A 29 28.225 -10.649 22.848 1.00 0.00 H new ATOM 437 N VAL A 30 32.860 -8.838 29.905 1.00 0.00 N ATOM 438 CA VAL A 30 32.043 -9.301 31.045 1.00 0.00 C ATOM 439 C VAL A 30 31.887 -8.271 32.175 1.00 0.00 C ATOM 440 O VAL A 30 31.285 -8.590 33.202 1.00 0.00 O ATOM 441 CB VAL A 30 32.589 -10.639 31.583 1.00 0.00 C ATOM 442 CG1 VAL A 30 32.396 -11.734 30.528 1.00 0.00 C ATOM 443 CG2 VAL A 30 34.059 -10.552 32.019 1.00 0.00 C ATOM 0 H VAL A 30 33.826 -8.654 30.174 1.00 0.00 H new ATOM 0 HA VAL A 30 31.036 -9.446 30.655 1.00 0.00 H new ATOM 0 HB VAL A 30 32.021 -10.889 32.479 1.00 0.00 H new ATOM 0 HG11 VAL A 30 32.782 -12.679 30.910 1.00 0.00 H new ATOM 0 HG12 VAL A 30 31.335 -11.840 30.304 1.00 0.00 H new ATOM 0 HG13 VAL A 30 32.934 -11.463 29.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 34.387 -11.524 32.388 1.00 0.00 H new ATOM 0 HG22 VAL A 30 34.674 -10.261 31.168 1.00 0.00 H new ATOM 0 HG23 VAL A 30 34.160 -9.810 32.811 1.00 0.00 H new ATOM 565 N LEU A 38 35.559 -2.937 33.187 1.00 0.00 N ATOM 566 CA LEU A 38 36.785 -3.477 33.782 1.00 0.00 C ATOM 567 C LEU A 38 37.910 -3.349 32.746 1.00 0.00 C ATOM 568 O LEU A 38 38.023 -4.175 31.840 1.00 0.00 O ATOM 569 CB LEU A 38 36.501 -4.925 34.225 1.00 0.00 C ATOM 570 CG LEU A 38 37.652 -5.617 34.978 1.00 0.00 C ATOM 571 CD1 LEU A 38 37.991 -4.915 36.296 1.00 0.00 C ATOM 572 CD2 LEU A 38 37.285 -7.063 35.297 1.00 0.00 C ATOM 0 HA LEU A 38 37.107 -2.931 34.669 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.618 -4.926 34.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.257 -5.517 33.343 1.00 0.00 H new ATOM 0 HG LEU A 38 38.520 -5.572 34.320 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.808 -5.441 36.789 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.291 -3.887 36.094 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.115 -4.917 36.945 1.00 0.00 H new ATOM 0 HD21 LEU A 38 38.109 -7.539 35.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 36.391 -7.082 35.920 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.093 -7.603 34.370 1.00 0.00 H new ATOM 584 N ALA A 39 38.684 -2.268 32.843 1.00 0.00 N ATOM 585 CA ALA A 39 39.629 -1.821 31.824 1.00 0.00 C ATOM 586 C ALA A 39 41.102 -1.968 32.225 1.00 0.00 C ATOM 587 O ALA A 39 41.470 -1.891 33.403 1.00 0.00 O ATOM 588 CB ALA A 39 39.306 -0.360 31.491 1.00 0.00 C ATOM 0 H ALA A 39 38.668 -1.660 33.662 1.00 0.00 H new ATOM 0 HA ALA A 39 39.509 -2.467 30.954 1.00 0.00 H new ATOM 0 HB1 ALA A 39 39.998 0.001 30.730 1.00 0.00 H new ATOM 0 HB2 ALA A 39 38.285 -0.290 31.116 1.00 0.00 H new ATOM 0 HB3 ALA A 39 39.405 0.248 32.390 1.00 0.00 H new ATOM 594 N LEU A 40 41.955 -2.152 31.213 1.00 0.00 N ATOM 595 CA LEU A 40 43.409 -2.183 31.378 1.00 0.00 C ATOM 596 C LEU A 40 43.919 -0.876 31.992 1.00 0.00 C ATOM 597 O LEU A 40 43.570 0.218 31.542 1.00 0.00 O ATOM 598 CB LEU A 40 44.094 -2.444 30.027 1.00 0.00 C ATOM 599 CG LEU A 40 43.795 -3.828 29.432 1.00 0.00 C ATOM 600 CD1 LEU A 40 44.503 -3.970 28.090 1.00 0.00 C ATOM 601 CD2 LEU A 40 44.286 -4.968 30.324 1.00 0.00 C ATOM 0 H LEU A 40 41.652 -2.285 30.248 1.00 0.00 H new ATOM 0 HA LEU A 40 43.657 -2.996 32.060 1.00 0.00 H new ATOM 0 HB2 LEU A 40 43.778 -1.679 29.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 45.172 -2.338 30.151 1.00 0.00 H new ATOM 0 HG LEU A 40 42.712 -3.897 29.332 1.00 0.00 H new ATOM 0 HD11 LEU A 40 44.290 -4.952 27.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 44.148 -3.198 27.408 1.00 0.00 H new ATOM 0 HD13 LEU A 40 45.578 -3.861 28.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 44.049 -5.924 29.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 45.365 -4.887 30.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 43.795 -4.908 31.295 1.00 0.00 H new ATOM 613 N THR A 41 44.769 -1.006 33.007 1.00 0.00 N ATOM 614 CA THR A 41 45.273 0.109 33.817 1.00 0.00 C ATOM 615 C THR A 41 46.766 -0.070 34.101 1.00 0.00 C ATOM 616 O THR A 41 47.247 -1.174 34.378 1.00 0.00 O ATOM 617 CB THR A 41 44.470 0.231 35.125 1.00 0.00 C ATOM 618 OG1 THR A 41 43.100 0.421 34.836 1.00 0.00 O ATOM 619 CG2 THR A 41 44.872 1.433 35.984 1.00 0.00 C ATOM 0 H THR A 41 45.138 -1.911 33.300 1.00 0.00 H new ATOM 0 HA THR A 41 45.145 1.035 33.256 1.00 0.00 H new ATOM 0 HB THR A 41 44.674 -0.693 35.667 1.00 0.00 H new ATOM 0 HG1 THR A 41 42.737 -0.391 34.424 1.00 0.00 H new ATOM 0 HG21 THR A 41 44.264 1.454 36.888 1.00 0.00 H new ATOM 0 HG22 THR A 41 45.924 1.350 36.256 1.00 0.00 H new ATOM 0 HG23 THR A 41 44.714 2.352 35.420 1.00 0.00 H new ATOM 627 N TYR A 42 47.506 1.034 34.015 1.00 0.00 N ATOM 628 CA TYR A 42 48.948 1.096 34.237 1.00 0.00 C ATOM 629 C TYR A 42 49.300 0.672 35.682 1.00 0.00 C ATOM 630 O TYR A 42 48.685 1.175 36.628 1.00 0.00 O ATOM 631 CB TYR A 42 49.406 2.534 33.943 1.00 0.00 C ATOM 632 CG TYR A 42 50.905 2.768 33.983 1.00 0.00 C ATOM 633 CD1 TYR A 42 51.729 2.197 32.994 1.00 0.00 C ATOM 634 CD2 TYR A 42 51.468 3.602 34.969 1.00 0.00 C ATOM 635 CE1 TYR A 42 53.113 2.457 32.992 1.00 0.00 C ATOM 636 CE2 TYR A 42 52.851 3.876 34.959 1.00 0.00 C ATOM 637 CZ TYR A 42 53.678 3.308 33.965 1.00 0.00 C ATOM 638 OH TYR A 42 55.007 3.606 33.918 1.00 0.00 O ATOM 0 H TYR A 42 47.103 1.941 33.781 1.00 0.00 H new ATOM 0 HA TYR A 42 49.466 0.403 33.574 1.00 0.00 H new ATOM 0 HB2 TYR A 42 49.039 2.818 32.957 1.00 0.00 H new ATOM 0 HB3 TYR A 42 48.933 3.201 34.664 1.00 0.00 H new ATOM 0 HD1 TYR A 42 51.299 1.559 32.236 1.00 0.00 H new ATOM 0 HD2 TYR A 42 50.839 4.032 35.734 1.00 0.00 H new ATOM 0 HE1 TYR A 42 53.744 2.003 32.243 1.00 0.00 H new ATOM 0 HE2 TYR A 42 53.278 4.521 35.712 1.00 0.00 H new ATOM 0 HH TYR A 42 55.234 4.205 34.659 1.00 0.00 H new ATOM 648 N PRO A 43 50.279 -0.233 35.889 1.00 0.00 N ATOM 649 CA PRO A 43 50.631 -0.760 37.216 1.00 0.00 C ATOM 650 C PRO A 43 51.379 0.239 38.122 1.00 0.00 C ATOM 651 O PRO A 43 51.649 -0.067 39.286 1.00 0.00 O ATOM 652 CB PRO A 43 51.477 -2.005 36.930 1.00 0.00 C ATOM 653 CG PRO A 43 52.146 -1.667 35.601 1.00 0.00 C ATOM 654 CD PRO A 43 51.059 -0.904 34.859 1.00 0.00 C ATOM 0 HA PRO A 43 49.727 -0.979 37.784 1.00 0.00 H new ATOM 0 HB2 PRO A 43 52.210 -2.184 37.717 1.00 0.00 H new ATOM 0 HB3 PRO A 43 50.863 -2.902 36.856 1.00 0.00 H new ATOM 0 HG2 PRO A 43 53.041 -1.061 35.742 1.00 0.00 H new ATOM 0 HG3 PRO A 43 52.450 -2.564 35.062 1.00 0.00 H new ATOM 0 HD2 PRO A 43 51.490 -0.185 34.163 1.00 0.00 H new ATOM 0 HD3 PRO A 43 50.436 -1.580 34.273 1.00 0.00 H new ATOM 662 N GLY A 44 51.727 1.425 37.608 1.00 0.00 N ATOM 663 CA GLY A 44 52.366 2.524 38.346 1.00 0.00 C ATOM 664 C GLY A 44 53.869 2.688 38.078 1.00 0.00 C ATOM 665 O GLY A 44 54.439 3.718 38.447 1.00 0.00 O ATOM 0 H GLY A 44 51.565 1.656 36.628 1.00 0.00 H new ATOM 0 HA2 GLY A 44 51.862 3.456 38.091 1.00 0.00 H new ATOM 0 HA3 GLY A 44 52.217 2.362 39.413 1.00 0.00 H new ATOM 669 N ARG A 45 54.507 1.718 37.405 1.00 0.00 N ATOM 670 CA ARG A 45 55.913 1.770 36.963 1.00 0.00 C ATOM 671 C ARG A 45 56.161 0.926 35.705 1.00 0.00 C ATOM 672 O ARG A 45 55.259 0.267 35.192 1.00 0.00 O ATOM 673 CB ARG A 45 56.843 1.363 38.126 1.00 0.00 C ATOM 674 CG ARG A 45 56.639 -0.088 38.597 1.00 0.00 C ATOM 675 CD ARG A 45 57.586 -0.458 39.744 1.00 0.00 C ATOM 676 NE ARG A 45 57.244 0.265 40.986 1.00 0.00 N ATOM 677 CZ ARG A 45 58.003 0.408 42.057 1.00 0.00 C ATOM 678 NH1 ARG A 45 59.187 -0.130 42.147 1.00 0.00 N ATOM 679 NH2 ARG A 45 57.580 1.103 43.074 1.00 0.00 N ATOM 0 H ARG A 45 54.045 0.847 37.144 1.00 0.00 H new ATOM 0 HA ARG A 45 56.142 2.797 36.680 1.00 0.00 H new ATOM 0 HB2 ARG A 45 57.879 1.493 37.814 1.00 0.00 H new ATOM 0 HB3 ARG A 45 56.676 2.036 38.967 1.00 0.00 H new ATOM 0 HG2 ARG A 45 55.607 -0.222 38.921 1.00 0.00 H new ATOM 0 HG3 ARG A 45 56.801 -0.767 37.760 1.00 0.00 H new ATOM 0 HD2 ARG A 45 57.539 -1.532 39.923 1.00 0.00 H new ATOM 0 HD3 ARG A 45 58.612 -0.227 39.458 1.00 0.00 H new ATOM 0 HE ARG A 45 56.322 0.701 41.020 1.00 0.00 H new ATOM 0 HH11 ARG A 45 59.556 -0.683 41.374 1.00 0.00 H new ATOM 0 HH12 ARG A 45 59.745 0.003 42.991 1.00 0.00 H new ATOM 0 HH21 ARG A 45 56.659 1.540 43.045 1.00 0.00 H new ATOM 0 HH22 ARG A 45 58.170 1.211 43.899 1.00 0.00 H new ATOM 693 N GLN A 46 57.400 0.959 35.223 1.00 0.00 N ATOM 694 CA GLN A 46 57.913 0.094 34.153 1.00 0.00 C ATOM 695 C GLN A 46 58.372 -1.280 34.678 1.00 0.00 C ATOM 696 O GLN A 46 58.599 -1.451 35.878 1.00 0.00 O ATOM 697 CB GLN A 46 59.087 0.823 33.470 1.00 0.00 C ATOM 698 CG GLN A 46 58.630 2.093 32.736 1.00 0.00 C ATOM 699 CD GLN A 46 57.632 1.762 31.635 1.00 0.00 C ATOM 700 OE1 GLN A 46 57.890 0.934 30.775 1.00 0.00 O ATOM 701 NE2 GLN A 46 56.455 2.347 31.627 1.00 0.00 N ATOM 0 H GLN A 46 58.102 1.609 35.575 1.00 0.00 H new ATOM 0 HA GLN A 46 57.108 -0.099 33.443 1.00 0.00 H new ATOM 0 HB2 GLN A 46 59.834 1.086 34.218 1.00 0.00 H new ATOM 0 HB3 GLN A 46 59.569 0.149 32.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 58.176 2.784 33.447 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.495 2.600 32.307 1.00 0.00 H new ATOM 0 HE21 GLN A 46 56.225 3.040 32.339 1.00 0.00 H new ATOM 0 HE22 GLN A 46 55.771 2.107 30.909 1.00 0.00 H new ATOM 710 N ARG A 47 58.576 -2.242 33.762 1.00 0.00 N ATOM 711 CA ARG A 47 59.098 -3.603 34.033 1.00 0.00 C ATOM 712 C ARG A 47 58.233 -4.420 35.013 1.00 0.00 C ATOM 713 O ARG A 47 58.740 -5.240 35.781 1.00 0.00 O ATOM 714 CB ARG A 47 60.593 -3.543 34.426 1.00 0.00 C ATOM 715 CG ARG A 47 61.469 -2.861 33.363 1.00 0.00 C ATOM 716 CD ARG A 47 62.939 -2.828 33.799 1.00 0.00 C ATOM 717 NE ARG A 47 63.789 -2.160 32.791 1.00 0.00 N ATOM 718 CZ ARG A 47 64.006 -0.863 32.655 1.00 0.00 C ATOM 719 NH1 ARG A 47 63.458 0.024 33.438 1.00 0.00 N ATOM 720 NH2 ARG A 47 64.790 -0.423 31.713 1.00 0.00 N ATOM 0 H ARG A 47 58.376 -2.093 32.773 1.00 0.00 H new ATOM 0 HA ARG A 47 59.028 -4.165 33.102 1.00 0.00 H new ATOM 0 HB2 ARG A 47 60.693 -3.007 35.370 1.00 0.00 H new ATOM 0 HB3 ARG A 47 60.959 -4.556 34.595 1.00 0.00 H new ATOM 0 HG2 ARG A 47 61.379 -3.394 32.416 1.00 0.00 H new ATOM 0 HG3 ARG A 47 61.114 -1.845 33.192 1.00 0.00 H new ATOM 0 HD2 ARG A 47 63.025 -2.306 34.752 1.00 0.00 H new ATOM 0 HD3 ARG A 47 63.295 -3.846 33.959 1.00 0.00 H new ATOM 0 HE ARG A 47 64.262 -2.769 32.124 1.00 0.00 H new ATOM 0 HH11 ARG A 47 62.836 -0.274 34.189 1.00 0.00 H new ATOM 0 HH12 ARG A 47 63.652 1.016 33.299 1.00 0.00 H new ATOM 0 HH21 ARG A 47 65.240 -1.080 31.076 1.00 0.00 H new ATOM 0 HH22 ARG A 47 64.954 0.579 31.612 1.00 0.00 H new ATOM 734 N THR A 48 56.918 -4.211 34.963 1.00 0.00 N ATOM 735 CA THR A 48 55.887 -4.868 35.792 1.00 0.00 C ATOM 736 C THR A 48 54.722 -5.383 34.925 1.00 0.00 C ATOM 737 O THR A 48 54.495 -4.847 33.833 1.00 0.00 O ATOM 738 CB THR A 48 55.303 -3.890 36.828 1.00 0.00 C ATOM 739 OG1 THR A 48 55.019 -2.659 36.213 1.00 0.00 O ATOM 740 CG2 THR A 48 56.241 -3.566 37.985 1.00 0.00 C ATOM 0 H THR A 48 56.512 -3.542 34.308 1.00 0.00 H new ATOM 0 HA THR A 48 56.376 -5.702 36.296 1.00 0.00 H new ATOM 0 HB THR A 48 54.420 -4.395 37.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 54.646 -2.041 36.876 1.00 0.00 H new ATOM 0 HG21 THR A 48 55.751 -2.871 38.667 1.00 0.00 H new ATOM 0 HG22 THR A 48 56.491 -4.483 38.519 1.00 0.00 H new ATOM 0 HG23 THR A 48 57.153 -3.112 37.598 1.00 0.00 H new ATOM 748 N PRO A 49 53.976 -6.420 35.367 1.00 0.00 N ATOM 749 CA PRO A 49 52.763 -6.894 34.693 1.00 0.00 C ATOM 750 C PRO A 49 51.674 -5.822 34.528 1.00 0.00 C ATOM 751 O PRO A 49 51.493 -4.979 35.409 1.00 0.00 O ATOM 752 CB PRO A 49 52.239 -8.067 35.528 1.00 0.00 C ATOM 753 CG PRO A 49 53.484 -8.568 36.254 1.00 0.00 C ATOM 754 CD PRO A 49 54.270 -7.283 36.505 1.00 0.00 C ATOM 0 HA PRO A 49 53.017 -7.184 33.673 1.00 0.00 H new ATOM 0 HB2 PRO A 49 51.467 -7.749 36.228 1.00 0.00 H new ATOM 0 HB3 PRO A 49 51.800 -8.843 34.900 1.00 0.00 H new ATOM 0 HG2 PRO A 49 53.232 -9.076 37.185 1.00 0.00 H new ATOM 0 HG3 PRO A 49 54.049 -9.276 35.647 1.00 0.00 H new ATOM 0 HD2 PRO A 49 53.968 -6.814 37.442 1.00 0.00 H new ATOM 0 HD3 PRO A 49 55.339 -7.484 36.579 1.00 0.00 H new ATOM 762 N VAL A 50 50.897 -5.880 33.439 1.00 0.00 N ATOM 763 CA VAL A 50 49.698 -5.036 33.257 1.00 0.00 C ATOM 764 C VAL A 50 48.622 -5.425 34.288 1.00 0.00 C ATOM 765 O VAL A 50 48.509 -6.596 34.661 1.00 0.00 O ATOM 766 CB VAL A 50 49.153 -5.144 31.814 1.00 0.00 C ATOM 767 CG1 VAL A 50 48.040 -4.123 31.537 1.00 0.00 C ATOM 768 CG2 VAL A 50 50.245 -4.891 30.761 1.00 0.00 C ATOM 0 H VAL A 50 51.077 -6.511 32.658 1.00 0.00 H new ATOM 0 HA VAL A 50 49.977 -3.995 33.421 1.00 0.00 H new ATOM 0 HB VAL A 50 48.771 -6.162 31.737 1.00 0.00 H new ATOM 0 HG11 VAL A 50 47.689 -4.237 30.511 1.00 0.00 H new ATOM 0 HG12 VAL A 50 47.212 -4.292 32.225 1.00 0.00 H new ATOM 0 HG13 VAL A 50 48.428 -3.114 31.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 49.815 -4.978 29.763 1.00 0.00 H new ATOM 0 HG22 VAL A 50 50.654 -3.889 30.894 1.00 0.00 H new ATOM 0 HG23 VAL A 50 51.041 -5.626 30.878 1.00 0.00 H new ATOM 778 N THR A 51 47.805 -4.465 34.733 1.00 0.00 N ATOM 779 CA THR A 51 46.740 -4.667 35.741 1.00 0.00 C ATOM 780 C THR A 51 45.378 -4.266 35.159 1.00 0.00 C ATOM 781 O THR A 51 45.314 -3.584 34.133 1.00 0.00 O ATOM 782 CB THR A 51 47.080 -3.868 37.019 1.00 0.00 C ATOM 783 OG1 THR A 51 48.361 -4.241 37.484 1.00 0.00 O ATOM 784 CG2 THR A 51 46.145 -4.100 38.209 1.00 0.00 C ATOM 0 H THR A 51 47.861 -3.502 34.400 1.00 0.00 H new ATOM 0 HA THR A 51 46.680 -5.722 36.010 1.00 0.00 H new ATOM 0 HB THR A 51 46.995 -2.827 36.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 48.576 -3.732 38.294 1.00 0.00 H new ATOM 0 HG21 THR A 51 46.472 -3.492 39.053 1.00 0.00 H new ATOM 0 HG22 THR A 51 45.128 -3.820 37.933 1.00 0.00 H new ATOM 0 HG23 THR A 51 46.168 -5.153 38.490 1.00 0.00 H new ATOM 792 N VAL A 52 44.274 -4.677 35.789 1.00 0.00 N ATOM 793 CA VAL A 52 42.909 -4.333 35.357 1.00 0.00 C ATOM 794 C VAL A 52 42.085 -3.774 36.527 1.00 0.00 C ATOM 795 O VAL A 52 42.180 -4.273 37.650 1.00 0.00 O ATOM 796 CB VAL A 52 42.269 -5.559 34.673 1.00 0.00 C ATOM 797 CG1 VAL A 52 41.699 -6.595 35.648 1.00 0.00 C ATOM 798 CG2 VAL A 52 41.189 -5.130 33.682 1.00 0.00 C ATOM 0 H VAL A 52 44.299 -5.264 36.623 1.00 0.00 H new ATOM 0 HA VAL A 52 42.938 -3.531 34.619 1.00 0.00 H new ATOM 0 HB VAL A 52 43.086 -6.050 34.144 1.00 0.00 H new ATOM 0 HG11 VAL A 52 41.268 -7.424 35.087 1.00 0.00 H new ATOM 0 HG12 VAL A 52 42.497 -6.967 36.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 40.926 -6.131 36.261 1.00 0.00 H new ATOM 0 HG21 VAL A 52 40.754 -6.013 33.214 1.00 0.00 H new ATOM 0 HG22 VAL A 52 40.411 -4.578 34.209 1.00 0.00 H new ATOM 0 HG23 VAL A 52 41.631 -4.493 32.916 1.00 0.00 H new ATOM 808 N SER A 53 41.287 -2.733 36.271 1.00 0.00 N ATOM 809 CA SER A 53 40.584 -1.918 37.286 1.00 0.00 C ATOM 810 C SER A 53 39.316 -1.257 36.696 1.00 0.00 C ATOM 811 O SER A 53 39.093 -1.365 35.486 1.00 0.00 O ATOM 812 CB SER A 53 41.537 -0.817 37.795 1.00 0.00 C ATOM 813 OG SER A 53 42.645 -1.363 38.494 1.00 0.00 O ATOM 0 H SER A 53 41.101 -2.417 35.319 1.00 0.00 H new ATOM 0 HA SER A 53 40.281 -2.572 38.104 1.00 0.00 H new ATOM 0 HB2 SER A 53 41.894 -0.226 36.951 1.00 0.00 H new ATOM 0 HB3 SER A 53 40.992 -0.138 38.451 1.00 0.00 H new ATOM 0 HG SER A 53 43.228 -0.638 38.800 1.00 0.00 H new ATOM 819 N PRO A 54 38.455 -0.584 37.491 1.00 0.00 N ATOM 820 CA PRO A 54 37.370 0.249 36.959 1.00 0.00 C ATOM 821 C PRO A 54 37.869 1.338 35.990 1.00 0.00 C ATOM 822 O PRO A 54 39.067 1.632 35.936 1.00 0.00 O ATOM 823 CB PRO A 54 36.672 0.863 38.178 1.00 0.00 C ATOM 824 CG PRO A 54 37.017 -0.100 39.310 1.00 0.00 C ATOM 825 CD PRO A 54 38.434 -0.530 38.944 1.00 0.00 C ATOM 0 HA PRO A 54 36.687 -0.358 36.365 1.00 0.00 H new ATOM 0 HB2 PRO A 54 37.035 1.870 38.383 1.00 0.00 H new ATOM 0 HB3 PRO A 54 35.595 0.937 38.028 1.00 0.00 H new ATOM 0 HG2 PRO A 54 36.978 0.386 40.285 1.00 0.00 H new ATOM 0 HG3 PRO A 54 36.331 -0.946 39.348 1.00 0.00 H new ATOM 0 HD2 PRO A 54 39.170 0.179 39.322 1.00 0.00 H new ATOM 0 HD3 PRO A 54 38.675 -1.501 39.377 1.00 0.00 H new ATOM 833 N LEU A 55 36.947 1.973 35.258 1.00 0.00 N ATOM 834 CA LEU A 55 37.259 2.958 34.215 1.00 0.00 C ATOM 835 C LEU A 55 36.571 4.310 34.472 1.00 0.00 C ATOM 836 O LEU A 55 35.367 4.378 34.720 1.00 0.00 O ATOM 837 CB LEU A 55 36.853 2.363 32.853 1.00 0.00 C ATOM 838 CG LEU A 55 37.132 3.269 31.640 1.00 0.00 C ATOM 839 CD1 LEU A 55 38.618 3.573 31.438 1.00 0.00 C ATOM 840 CD2 LEU A 55 36.615 2.606 30.367 1.00 0.00 C ATOM 0 H LEU A 55 35.946 1.815 35.375 1.00 0.00 H new ATOM 0 HA LEU A 55 38.329 3.165 34.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.382 1.420 32.713 1.00 0.00 H new ATOM 0 HB3 LEU A 55 35.788 2.131 32.877 1.00 0.00 H new ATOM 0 HG LEU A 55 36.618 4.208 31.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 38.743 4.216 30.567 1.00 0.00 H new ATOM 0 HD12 LEU A 55 39.009 4.079 32.321 1.00 0.00 H new ATOM 0 HD13 LEU A 55 39.162 2.641 31.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 36.816 3.253 29.513 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.118 1.650 30.225 1.00 0.00 H new ATOM 0 HD23 LEU A 55 35.541 2.441 30.453 1.00 0.00 H new ATOM 852 N ASP A 56 37.345 5.388 34.336 1.00 0.00 N ATOM 853 CA ASP A 56 36.935 6.787 34.518 1.00 0.00 C ATOM 854 C ASP A 56 37.423 7.693 33.363 1.00 0.00 C ATOM 855 O ASP A 56 36.983 8.839 33.244 1.00 0.00 O ATOM 856 CB ASP A 56 37.504 7.320 35.845 1.00 0.00 C ATOM 857 CG ASP A 56 37.192 6.425 37.054 1.00 0.00 C ATOM 858 OD1 ASP A 56 36.146 6.642 37.715 1.00 0.00 O ATOM 859 OD2 ASP A 56 38.013 5.527 37.362 1.00 0.00 O ATOM 0 H ASP A 56 38.330 5.307 34.082 1.00 0.00 H new ATOM 0 HA ASP A 56 35.845 6.810 34.527 1.00 0.00 H new ATOM 0 HB2 ASP A 56 38.585 7.425 35.751 1.00 0.00 H new ATOM 0 HB3 ASP A 56 37.102 8.316 36.028 1.00 0.00 H new ATOM 864 N GLY A 57 38.328 7.187 32.513 1.00 0.00 N ATOM 865 CA GLY A 57 38.958 7.921 31.408 1.00 0.00 C ATOM 866 C GLY A 57 40.292 8.594 31.773 1.00 0.00 C ATOM 867 O GLY A 57 40.777 9.436 31.012 1.00 0.00 O ATOM 0 H GLY A 57 38.652 6.222 32.579 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.127 7.233 30.580 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.265 8.684 31.053 1.00 0.00 H new ATOM 871 N SER A 58 40.878 8.263 32.929 1.00 0.00 N ATOM 872 CA SER A 58 42.150 8.812 33.411 1.00 0.00 C ATOM 873 C SER A 58 43.341 8.414 32.530 1.00 0.00 C ATOM 874 O SER A 58 43.329 7.394 31.837 1.00 0.00 O ATOM 875 CB SER A 58 42.410 8.345 34.852 1.00 0.00 C ATOM 876 OG SER A 58 41.363 8.770 35.711 1.00 0.00 O ATOM 0 H SER A 58 40.469 7.586 33.573 1.00 0.00 H new ATOM 0 HA SER A 58 42.059 9.897 33.371 1.00 0.00 H new ATOM 0 HB2 SER A 58 42.491 7.258 34.879 1.00 0.00 H new ATOM 0 HB3 SER A 58 43.361 8.745 35.204 1.00 0.00 H new ATOM 0 HG SER A 58 41.544 8.463 36.624 1.00 0.00 H new ATOM 882 N SER A 59 44.419 9.192 32.624 1.00 0.00 N ATOM 883 CA SER A 59 45.686 9.002 31.890 1.00 0.00 C ATOM 884 C SER A 59 46.399 7.661 32.143 1.00 0.00 C ATOM 885 O SER A 59 47.236 7.243 31.343 1.00 0.00 O ATOM 886 CB SER A 59 46.639 10.165 32.189 1.00 0.00 C ATOM 887 OG SER A 59 46.843 10.299 33.588 1.00 0.00 O ATOM 0 H SER A 59 44.442 10.007 33.237 1.00 0.00 H new ATOM 0 HA SER A 59 45.407 8.982 30.836 1.00 0.00 H new ATOM 0 HB2 SER A 59 47.594 9.996 31.692 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.229 11.091 31.786 1.00 0.00 H new ATOM 0 HG SER A 59 47.455 11.045 33.759 1.00 0.00 H new ATOM 893 N GLU A 60 46.055 6.959 33.227 1.00 0.00 N ATOM 894 CA GLU A 60 46.574 5.626 33.566 1.00 0.00 C ATOM 895 C GLU A 60 45.633 4.483 33.128 1.00 0.00 C ATOM 896 O GLU A 60 45.997 3.317 33.256 1.00 0.00 O ATOM 897 CB GLU A 60 46.855 5.571 35.079 1.00 0.00 C ATOM 898 CG GLU A 60 47.991 6.526 35.481 1.00 0.00 C ATOM 899 CD GLU A 60 48.283 6.452 36.991 1.00 0.00 C ATOM 900 OE1 GLU A 60 47.550 7.090 37.787 1.00 0.00 O ATOM 901 OE2 GLU A 60 49.257 5.770 37.393 1.00 0.00 O ATOM 0 H GLU A 60 45.388 7.311 33.914 1.00 0.00 H new ATOM 0 HA GLU A 60 47.499 5.471 33.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 45.950 5.831 35.627 1.00 0.00 H new ATOM 0 HB3 GLU A 60 47.118 4.552 35.364 1.00 0.00 H new ATOM 0 HG2 GLU A 60 48.893 6.276 34.922 1.00 0.00 H new ATOM 0 HG3 GLU A 60 47.722 7.547 35.211 1.00 0.00 H new ATOM 908 N GLN A 61 44.450 4.796 32.582 1.00 0.00 N ATOM 909 CA GLN A 61 43.429 3.839 32.111 1.00 0.00 C ATOM 910 C GLN A 61 43.202 3.912 30.587 1.00 0.00 C ATOM 911 O GLN A 61 42.523 3.054 30.019 1.00 0.00 O ATOM 912 CB GLN A 61 42.084 4.147 32.788 1.00 0.00 C ATOM 913 CG GLN A 61 42.070 4.186 34.327 1.00 0.00 C ATOM 914 CD GLN A 61 40.779 4.811 34.865 1.00 0.00 C ATOM 915 OE1 GLN A 61 40.176 5.684 34.256 1.00 0.00 O ATOM 916 NE2 GLN A 61 40.289 4.396 36.009 1.00 0.00 N ATOM 0 H GLN A 61 44.162 5.765 32.449 1.00 0.00 H new ATOM 0 HA GLN A 61 43.796 2.845 32.365 1.00 0.00 H new ATOM 0 HB2 GLN A 61 41.733 5.112 32.421 1.00 0.00 H new ATOM 0 HB3 GLN A 61 41.361 3.400 32.461 1.00 0.00 H new ATOM 0 HG2 GLN A 61 42.175 3.174 34.718 1.00 0.00 H new ATOM 0 HG3 GLN A 61 42.927 4.756 34.685 1.00 0.00 H new ATOM 0 HE21 GLN A 61 40.772 3.669 36.537 1.00 0.00 H new ATOM 0 HE22 GLN A 61 39.425 4.800 36.370 1.00 0.00 H new ATOM 925 N ALA A 62 43.751 4.934 29.923 1.00 0.00 N ATOM 926 CA ALA A 62 43.626 5.167 28.487 1.00 0.00 C ATOM 927 C ALA A 62 44.933 4.821 27.754 1.00 0.00 C ATOM 928 O ALA A 62 46.035 4.936 28.301 1.00 0.00 O ATOM 929 CB ALA A 62 43.194 6.621 28.267 1.00 0.00 C ATOM 0 H ALA A 62 44.314 5.645 30.390 1.00 0.00 H new ATOM 0 HA ALA A 62 42.865 4.511 28.064 1.00 0.00 H new ATOM 0 HB1 ALA A 62 43.095 6.814 27.199 1.00 0.00 H new ATOM 0 HB2 ALA A 62 42.236 6.794 28.757 1.00 0.00 H new ATOM 0 HB3 ALA A 62 43.943 7.291 28.689 1.00 0.00 H new ATOM 935 N TRP A 63 44.799 4.397 26.497 1.00 0.00 N ATOM 936 CA TRP A 63 45.876 3.803 25.705 1.00 0.00 C ATOM 937 C TRP A 63 45.882 4.351 24.266 1.00 0.00 C ATOM 938 O TRP A 63 45.003 5.115 23.866 1.00 0.00 O ATOM 939 CB TRP A 63 45.710 2.267 25.757 1.00 0.00 C ATOM 940 CG TRP A 63 45.682 1.656 27.138 1.00 0.00 C ATOM 941 CD1 TRP A 63 44.615 1.632 27.973 1.00 0.00 C ATOM 942 CD2 TRP A 63 46.765 1.010 27.883 1.00 0.00 C ATOM 943 NE1 TRP A 63 44.973 1.081 29.185 1.00 0.00 N ATOM 944 CE2 TRP A 63 46.292 0.688 29.192 1.00 0.00 C ATOM 945 CE3 TRP A 63 48.103 0.664 27.592 1.00 0.00 C ATOM 946 CZ2 TRP A 63 47.108 0.094 30.166 1.00 0.00 C ATOM 947 CZ3 TRP A 63 48.933 0.068 28.562 1.00 0.00 C ATOM 948 CH2 TRP A 63 48.441 -0.214 29.849 1.00 0.00 C ATOM 0 H TRP A 63 43.917 4.459 25.989 1.00 0.00 H new ATOM 0 HA TRP A 63 46.847 4.071 26.121 1.00 0.00 H new ATOM 0 HB2 TRP A 63 44.785 2.003 25.244 1.00 0.00 H new ATOM 0 HB3 TRP A 63 46.527 1.813 25.196 1.00 0.00 H new ATOM 0 HD1 TRP A 63 43.628 1.992 27.725 1.00 0.00 H new ATOM 0 HE1 TRP A 63 44.339 0.978 29.978 1.00 0.00 H new ATOM 0 HE3 TRP A 63 48.498 0.860 26.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 46.716 -0.124 31.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 49.956 -0.174 28.315 1.00 0.00 H new ATOM 0 HH2 TRP A 63 49.085 -0.665 30.590 1.00 0.00 H new ATOM 959 N ILE A 64 46.869 3.948 23.470 1.00 0.00 N ATOM 960 CA ILE A 64 46.947 4.195 22.024 1.00 0.00 C ATOM 961 C ILE A 64 47.134 2.877 21.270 1.00 0.00 C ATOM 962 O ILE A 64 47.678 1.914 21.813 1.00 0.00 O ATOM 963 CB ILE A 64 48.054 5.214 21.653 1.00 0.00 C ATOM 964 CG1 ILE A 64 49.476 4.721 21.994 1.00 0.00 C ATOM 965 CG2 ILE A 64 47.774 6.567 22.323 1.00 0.00 C ATOM 966 CD1 ILE A 64 50.598 5.627 21.471 1.00 0.00 C ATOM 0 H ILE A 64 47.668 3.421 23.822 1.00 0.00 H new ATOM 0 HA ILE A 64 46.002 4.644 21.720 1.00 0.00 H new ATOM 0 HB ILE A 64 48.024 5.330 20.570 1.00 0.00 H new ATOM 0 HG12 ILE A 64 49.569 4.635 23.077 1.00 0.00 H new ATOM 0 HG13 ILE A 64 49.610 3.721 21.582 1.00 0.00 H new ATOM 0 HG21 ILE A 64 48.558 7.275 22.055 1.00 0.00 H new ATOM 0 HG22 ILE A 64 46.810 6.948 21.985 1.00 0.00 H new ATOM 0 HG23 ILE A 64 47.754 6.440 23.405 1.00 0.00 H new ATOM 0 HD11 ILE A 64 51.564 5.209 21.753 1.00 0.00 H new ATOM 0 HD12 ILE A 64 50.535 5.694 20.385 1.00 0.00 H new ATOM 0 HD13 ILE A 64 50.493 6.622 21.903 1.00 0.00 H new ATOM 978 N LEU A 65 46.722 2.869 20.004 1.00 0.00 N ATOM 979 CA LEU A 65 46.915 1.781 19.048 1.00 0.00 C ATOM 980 C LEU A 65 47.611 2.352 17.811 1.00 0.00 C ATOM 981 O LEU A 65 47.212 3.404 17.304 1.00 0.00 O ATOM 982 CB LEU A 65 45.558 1.161 18.655 1.00 0.00 C ATOM 983 CG LEU A 65 44.755 0.518 19.798 1.00 0.00 C ATOM 984 CD1 LEU A 65 43.437 -0.032 19.260 1.00 0.00 C ATOM 985 CD2 LEU A 65 45.495 -0.642 20.461 1.00 0.00 C ATOM 0 H LEU A 65 46.221 3.659 19.598 1.00 0.00 H new ATOM 0 HA LEU A 65 47.525 0.997 19.496 1.00 0.00 H new ATOM 0 HB2 LEU A 65 44.945 1.938 18.199 1.00 0.00 H new ATOM 0 HB3 LEU A 65 45.734 0.404 17.891 1.00 0.00 H new ATOM 0 HG LEU A 65 44.595 1.302 20.538 1.00 0.00 H new ATOM 0 HD11 LEU A 65 42.873 -0.486 20.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 42.855 0.780 18.824 1.00 0.00 H new ATOM 0 HD13 LEU A 65 43.641 -0.783 18.497 1.00 0.00 H new ATOM 0 HD21 LEU A 65 44.880 -1.057 21.260 1.00 0.00 H new ATOM 0 HD22 LEU A 65 45.697 -1.416 19.720 1.00 0.00 H new ATOM 0 HD23 LEU A 65 46.436 -0.283 20.877 1.00 0.00 H new ATOM 997 N ARG A 66 48.652 1.665 17.334 1.00 0.00 N ATOM 998 CA ARG A 66 49.466 2.061 16.171 1.00 0.00 C ATOM 999 C ARG A 66 49.796 0.831 15.323 1.00 0.00 C ATOM 1000 O ARG A 66 50.150 -0.219 15.858 1.00 0.00 O ATOM 1001 CB ARG A 66 50.760 2.757 16.647 1.00 0.00 C ATOM 1002 CG ARG A 66 50.553 4.037 17.483 1.00 0.00 C ATOM 1003 CD ARG A 66 49.902 5.183 16.692 1.00 0.00 C ATOM 1004 NE ARG A 66 49.524 6.307 17.574 1.00 0.00 N ATOM 1005 CZ ARG A 66 50.277 7.328 17.947 1.00 0.00 C ATOM 1006 NH1 ARG A 66 51.519 7.453 17.573 1.00 0.00 N ATOM 1007 NH2 ARG A 66 49.790 8.254 18.722 1.00 0.00 N ATOM 0 H ARG A 66 48.965 0.791 17.756 1.00 0.00 H new ATOM 0 HA ARG A 66 48.900 2.763 15.558 1.00 0.00 H new ATOM 0 HB2 ARG A 66 51.338 2.047 17.238 1.00 0.00 H new ATOM 0 HB3 ARG A 66 51.361 3.008 15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 66 49.931 3.802 18.346 1.00 0.00 H new ATOM 0 HG3 ARG A 66 51.517 4.372 17.867 1.00 0.00 H new ATOM 0 HD2 ARG A 66 50.593 5.537 15.927 1.00 0.00 H new ATOM 0 HD3 ARG A 66 49.017 4.812 16.175 1.00 0.00 H new ATOM 0 HE ARG A 66 48.571 6.294 17.937 1.00 0.00 H new ATOM 0 HH11 ARG A 66 51.944 6.748 16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 66 52.067 8.256 17.883 1.00 0.00 H new ATOM 0 HH21 ARG A 66 48.824 8.194 19.044 1.00 0.00 H new ATOM 0 HH22 ARG A 66 50.374 9.040 19.007 1.00 0.00 H new ATOM 1021 N SER A 67 49.628 0.937 14.006 1.00 0.00 N ATOM 1022 CA SER A 67 49.859 -0.179 13.076 1.00 0.00 C ATOM 1023 C SER A 67 51.340 -0.587 13.030 1.00 0.00 C ATOM 1024 O SER A 67 52.227 0.267 13.131 1.00 0.00 O ATOM 1025 CB SER A 67 49.376 0.220 11.677 1.00 0.00 C ATOM 1026 OG SER A 67 49.496 -0.867 10.776 1.00 0.00 O ATOM 0 H SER A 67 49.328 1.798 13.548 1.00 0.00 H new ATOM 0 HA SER A 67 49.296 -1.042 13.431 1.00 0.00 H new ATOM 0 HB2 SER A 67 48.337 0.546 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 67 49.959 1.066 11.313 1.00 0.00 H new ATOM 0 HG SER A 67 49.181 -0.593 9.889 1.00 0.00 H new ATOM 1032 N TYR A 68 51.608 -1.881 12.824 1.00 0.00 N ATOM 1033 CA TYR A 68 52.953 -2.409 12.554 1.00 0.00 C ATOM 1034 C TYR A 68 53.002 -3.260 11.270 1.00 0.00 C ATOM 1035 O TYR A 68 53.944 -3.124 10.486 1.00 0.00 O ATOM 1036 CB TYR A 68 53.457 -3.194 13.773 1.00 0.00 C ATOM 1037 CG TYR A 68 54.873 -3.712 13.604 1.00 0.00 C ATOM 1038 CD1 TYR A 68 55.971 -2.886 13.919 1.00 0.00 C ATOM 1039 CD2 TYR A 68 55.093 -5.002 13.081 1.00 0.00 C ATOM 1040 CE1 TYR A 68 57.287 -3.345 13.706 1.00 0.00 C ATOM 1041 CE2 TYR A 68 56.405 -5.465 12.870 1.00 0.00 C ATOM 1042 CZ TYR A 68 57.506 -4.637 13.177 1.00 0.00 C ATOM 1043 OH TYR A 68 58.771 -5.088 12.948 1.00 0.00 O ATOM 0 H TYR A 68 50.887 -2.603 12.840 1.00 0.00 H new ATOM 0 HA TYR A 68 53.619 -1.564 12.380 1.00 0.00 H new ATOM 0 HB2 TYR A 68 53.414 -2.553 14.654 1.00 0.00 H new ATOM 0 HB3 TYR A 68 52.789 -4.035 13.958 1.00 0.00 H new ATOM 0 HD1 TYR A 68 55.804 -1.899 14.325 1.00 0.00 H new ATOM 0 HD2 TYR A 68 54.253 -5.637 12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 68 58.127 -2.710 13.947 1.00 0.00 H new ATOM 0 HE2 TYR A 68 56.570 -6.456 12.472 1.00 0.00 H new ATOM 0 HH TYR A 68 58.733 -5.997 12.584 1.00 0.00 H new ATOM 1053 N ASP A 69 51.973 -4.071 11.000 1.00 0.00 N ATOM 1054 CA ASP A 69 51.814 -4.804 9.734 1.00 0.00 C ATOM 1055 C ASP A 69 50.324 -4.992 9.367 1.00 0.00 C ATOM 1056 O ASP A 69 49.420 -4.691 10.150 1.00 0.00 O ATOM 1057 CB ASP A 69 52.556 -6.157 9.808 1.00 0.00 C ATOM 1058 CG ASP A 69 53.089 -6.611 8.435 1.00 0.00 C ATOM 1059 OD1 ASP A 69 52.281 -7.065 7.590 1.00 0.00 O ATOM 1060 OD2 ASP A 69 54.314 -6.504 8.189 1.00 0.00 O ATOM 0 H ASP A 69 51.216 -4.241 11.662 1.00 0.00 H new ATOM 0 HA ASP A 69 52.260 -4.210 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 69 53.387 -6.074 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 51.881 -6.917 10.202 1.00 0.00 H new ATOM 1065 N SER A 70 50.067 -5.518 8.171 1.00 0.00 N ATOM 1066 CA SER A 70 48.743 -5.699 7.559 1.00 0.00 C ATOM 1067 C SER A 70 48.522 -7.116 7.013 1.00 0.00 C ATOM 1068 O SER A 70 47.385 -7.589 6.970 1.00 0.00 O ATOM 1069 CB SER A 70 48.567 -4.683 6.426 1.00 0.00 C ATOM 1070 OG SER A 70 49.607 -4.808 5.465 1.00 0.00 O ATOM 0 H SER A 70 50.817 -5.850 7.565 1.00 0.00 H new ATOM 0 HA SER A 70 48.002 -5.541 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 70 47.601 -4.834 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 70 48.564 -3.673 6.835 1.00 0.00 H new ATOM 0 HG SER A 70 49.473 -4.151 4.751 1.00 0.00 H new ATOM 1076 N ASN A 71 49.598 -7.836 6.678 1.00 0.00 N ATOM 1077 CA ASN A 71 49.575 -9.255 6.309 1.00 0.00 C ATOM 1078 C ASN A 71 49.287 -10.179 7.513 1.00 0.00 C ATOM 1079 O ASN A 71 48.836 -11.312 7.327 1.00 0.00 O ATOM 1080 CB ASN A 71 50.933 -9.604 5.681 1.00 0.00 C ATOM 1081 CG ASN A 71 51.243 -8.798 4.436 1.00 0.00 C ATOM 1082 OD1 ASN A 71 50.541 -8.847 3.434 1.00 0.00 O ATOM 1083 ND2 ASN A 71 52.318 -8.049 4.450 1.00 0.00 N ATOM 0 H ASN A 71 50.536 -7.436 6.656 1.00 0.00 H new ATOM 0 HA ASN A 71 48.763 -9.417 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 71 51.719 -9.438 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 71 50.948 -10.665 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 71 52.571 -7.505 3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 71 52.901 -8.010 5.286 1.00 0.00 H new ATOM 1090 N SER A 72 49.512 -9.681 8.736 1.00 0.00 N ATOM 1091 CA SER A 72 49.374 -10.420 10.005 1.00 0.00 C ATOM 1092 C SER A 72 48.437 -9.739 11.017 1.00 0.00 C ATOM 1093 O SER A 72 48.246 -10.267 12.112 1.00 0.00 O ATOM 1094 CB SER A 72 50.757 -10.634 10.641 1.00 0.00 C ATOM 1095 OG SER A 72 51.621 -11.335 9.756 1.00 0.00 O ATOM 0 H SER A 72 49.807 -8.715 8.878 1.00 0.00 H new ATOM 0 HA SER A 72 48.917 -11.377 9.754 1.00 0.00 H new ATOM 0 HB2 SER A 72 51.197 -9.670 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 72 50.651 -11.193 11.571 1.00 0.00 H new ATOM 0 HG SER A 72 52.495 -11.458 10.181 1.00 0.00 H new ATOM 1101 N ASN A 73 47.825 -8.597 10.663 1.00 0.00 N ATOM 1102 CA ASN A 73 46.918 -7.810 11.520 1.00 0.00 C ATOM 1103 C ASN A 73 47.506 -7.509 12.924 1.00 0.00 C ATOM 1104 O ASN A 73 46.851 -7.636 13.966 1.00 0.00 O ATOM 1105 CB ASN A 73 45.541 -8.495 11.490 1.00 0.00 C ATOM 1106 CG ASN A 73 44.418 -7.726 12.169 1.00 0.00 C ATOM 1107 OD1 ASN A 73 44.517 -6.554 12.517 1.00 0.00 O ATOM 1108 ND2 ASN A 73 43.303 -8.389 12.375 1.00 0.00 N ATOM 0 H ASN A 73 47.951 -8.180 9.741 1.00 0.00 H new ATOM 0 HA ASN A 73 46.791 -6.801 11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 73 45.263 -8.670 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 73 45.629 -9.472 11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 73 42.512 -7.929 12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 73 43.228 -9.363 12.083 1.00 0.00 H new ATOM 1115 N THR A 74 48.785 -7.125 12.925 1.00 0.00 N ATOM 1116 CA THR A 74 49.590 -6.826 14.119 1.00 0.00 C ATOM 1117 C THR A 74 49.859 -5.330 14.295 1.00 0.00 C ATOM 1118 O THR A 74 50.077 -4.570 13.346 1.00 0.00 O ATOM 1119 CB THR A 74 50.927 -7.585 14.130 1.00 0.00 C ATOM 1120 OG1 THR A 74 51.534 -7.580 12.854 1.00 0.00 O ATOM 1121 CG2 THR A 74 50.735 -9.037 14.557 1.00 0.00 C ATOM 0 H THR A 74 49.313 -7.008 12.060 1.00 0.00 H new ATOM 0 HA THR A 74 48.984 -7.168 14.958 1.00 0.00 H new ATOM 0 HB THR A 74 51.569 -7.070 14.845 1.00 0.00 H new ATOM 0 HG1 THR A 74 52.383 -8.069 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 74 51.698 -9.547 14.555 1.00 0.00 H new ATOM 0 HG22 THR A 74 50.310 -9.068 15.560 1.00 0.00 H new ATOM 0 HG23 THR A 74 50.059 -9.535 13.861 1.00 0.00 H new ATOM 1129 N TRP A 75 49.854 -4.922 15.561 1.00 0.00 N ATOM 1130 CA TRP A 75 49.869 -3.541 16.036 1.00 0.00 C ATOM 1131 C TRP A 75 50.772 -3.428 17.276 1.00 0.00 C ATOM 1132 O TRP A 75 51.190 -4.436 17.853 1.00 0.00 O ATOM 1133 CB TRP A 75 48.427 -3.132 16.411 1.00 0.00 C ATOM 1134 CG TRP A 75 47.362 -3.229 15.350 1.00 0.00 C ATOM 1135 CD1 TRP A 75 46.817 -4.375 14.880 1.00 0.00 C ATOM 1136 CD2 TRP A 75 46.647 -2.154 14.662 1.00 0.00 C ATOM 1137 NE1 TRP A 75 45.836 -4.095 13.954 1.00 0.00 N ATOM 1138 CE2 TRP A 75 45.712 -2.736 13.750 1.00 0.00 C ATOM 1139 CE3 TRP A 75 46.682 -0.744 14.730 1.00 0.00 C ATOM 1140 CZ2 TRP A 75 44.900 -1.955 12.911 1.00 0.00 C ATOM 1141 CZ3 TRP A 75 45.881 0.048 13.886 1.00 0.00 C ATOM 1142 CH2 TRP A 75 45.001 -0.553 12.969 1.00 0.00 C ATOM 0 H TRP A 75 49.838 -5.590 16.332 1.00 0.00 H new ATOM 0 HA TRP A 75 50.254 -2.885 15.255 1.00 0.00 H new ATOM 0 HB2 TRP A 75 48.114 -3.748 17.254 1.00 0.00 H new ATOM 0 HB3 TRP A 75 48.454 -2.101 16.763 1.00 0.00 H new ATOM 0 HD1 TRP A 75 47.110 -5.368 15.187 1.00 0.00 H new ATOM 0 HE1 TRP A 75 45.274 -4.802 13.480 1.00 0.00 H new ATOM 0 HE3 TRP A 75 47.336 -0.264 15.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.206 -2.425 12.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 45.943 1.125 13.943 1.00 0.00 H new ATOM 0 HH2 TRP A 75 44.404 0.060 12.310 1.00 0.00 H new ATOM 1153 N THR A 76 51.022 -2.203 17.730 1.00 0.00 N ATOM 1154 CA THR A 76 51.665 -1.906 19.021 1.00 0.00 C ATOM 1155 C THR A 76 50.732 -1.051 19.891 1.00 0.00 C ATOM 1156 O THR A 76 49.844 -0.355 19.382 1.00 0.00 O ATOM 1157 CB THR A 76 53.060 -1.274 18.848 1.00 0.00 C ATOM 1158 OG1 THR A 76 52.979 -0.037 18.175 1.00 0.00 O ATOM 1159 CG2 THR A 76 54.005 -2.183 18.050 1.00 0.00 C ATOM 0 H THR A 76 50.780 -1.364 17.203 1.00 0.00 H new ATOM 0 HA THR A 76 51.836 -2.848 19.541 1.00 0.00 H new ATOM 0 HB THR A 76 53.454 -1.132 19.854 1.00 0.00 H new ATOM 0 HG1 THR A 76 53.877 0.343 18.080 1.00 0.00 H new ATOM 0 HG21 THR A 76 54.977 -1.700 17.951 1.00 0.00 H new ATOM 0 HG22 THR A 76 54.123 -3.133 18.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 53.587 -2.363 17.060 1.00 0.00 H new ATOM 1167 N ILE A 77 50.890 -1.153 21.218 1.00 0.00 N ATOM 1168 CA ILE A 77 49.949 -0.613 22.218 1.00 0.00 C ATOM 1169 C ILE A 77 50.731 0.048 23.359 1.00 0.00 C ATOM 1170 O ILE A 77 51.626 -0.583 23.924 1.00 0.00 O ATOM 1171 CB ILE A 77 49.044 -1.733 22.804 1.00 0.00 C ATOM 1172 CG1 ILE A 77 48.458 -2.686 21.731 1.00 0.00 C ATOM 1173 CG2 ILE A 77 47.927 -1.098 23.662 1.00 0.00 C ATOM 1174 CD1 ILE A 77 47.682 -3.875 22.311 1.00 0.00 C ATOM 0 H ILE A 77 51.692 -1.623 21.638 1.00 0.00 H new ATOM 0 HA ILE A 77 49.315 0.121 21.721 1.00 0.00 H new ATOM 0 HB ILE A 77 49.676 -2.363 23.430 1.00 0.00 H new ATOM 0 HG12 ILE A 77 47.797 -2.118 21.077 1.00 0.00 H new ATOM 0 HG13 ILE A 77 49.272 -3.063 21.112 1.00 0.00 H new ATOM 0 HG21 ILE A 77 47.293 -1.884 24.073 1.00 0.00 H new ATOM 0 HG22 ILE A 77 48.374 -0.529 24.477 1.00 0.00 H new ATOM 0 HG23 ILE A 77 47.326 -0.433 23.042 1.00 0.00 H new ATOM 0 HD11 ILE A 77 47.304 -4.494 21.498 1.00 0.00 H new ATOM 0 HD12 ILE A 77 48.344 -4.469 22.942 1.00 0.00 H new ATOM 0 HD13 ILE A 77 46.846 -3.508 22.907 1.00 0.00 H new ATOM 1186 N SER A 78 50.368 1.277 23.735 1.00 0.00 N ATOM 1187 CA SER A 78 51.054 2.047 24.792 1.00 0.00 C ATOM 1188 C SER A 78 50.058 2.832 25.663 1.00 0.00 C ATOM 1189 O SER A 78 49.007 3.222 25.153 1.00 0.00 O ATOM 1190 CB SER A 78 52.049 3.043 24.177 1.00 0.00 C ATOM 1191 OG SER A 78 52.887 2.433 23.209 1.00 0.00 O ATOM 0 H SER A 78 49.584 1.776 23.315 1.00 0.00 H new ATOM 0 HA SER A 78 51.580 1.324 25.416 1.00 0.00 H new ATOM 0 HB2 SER A 78 51.500 3.864 23.715 1.00 0.00 H new ATOM 0 HB3 SER A 78 52.663 3.475 24.967 1.00 0.00 H new ATOM 0 HG SER A 78 53.503 3.101 22.842 1.00 0.00 H new ATOM 1197 N PRO A 79 50.344 3.097 26.952 1.00 0.00 N ATOM 1198 CA PRO A 79 49.493 3.943 27.796 1.00 0.00 C ATOM 1199 C PRO A 79 49.677 5.429 27.438 1.00 0.00 C ATOM 1200 O PRO A 79 50.794 5.858 27.139 1.00 0.00 O ATOM 1201 CB PRO A 79 49.949 3.647 29.229 1.00 0.00 C ATOM 1202 CG PRO A 79 51.430 3.304 29.063 1.00 0.00 C ATOM 1203 CD PRO A 79 51.499 2.617 27.700 1.00 0.00 C ATOM 0 HA PRO A 79 48.432 3.735 27.661 1.00 0.00 H new ATOM 0 HB2 PRO A 79 49.806 4.508 29.882 1.00 0.00 H new ATOM 0 HB3 PRO A 79 49.391 2.819 29.666 1.00 0.00 H new ATOM 0 HG2 PRO A 79 52.053 4.198 29.091 1.00 0.00 H new ATOM 0 HG3 PRO A 79 51.779 2.647 29.859 1.00 0.00 H new ATOM 0 HD2 PRO A 79 52.428 2.863 27.185 1.00 0.00 H new ATOM 0 HD3 PRO A 79 51.472 1.533 27.807 1.00 0.00 H new ATOM 1211 N VAL A 80 48.615 6.244 27.510 1.00 0.00 N ATOM 1212 CA VAL A 80 48.707 7.687 27.172 1.00 0.00 C ATOM 1213 C VAL A 80 49.607 8.487 28.129 1.00 0.00 C ATOM 1214 O VAL A 80 50.137 9.530 27.743 1.00 0.00 O ATOM 1215 CB VAL A 80 47.333 8.380 27.057 1.00 0.00 C ATOM 1216 CG1 VAL A 80 46.455 7.731 25.984 1.00 0.00 C ATOM 1217 CG2 VAL A 80 46.564 8.445 28.378 1.00 0.00 C ATOM 0 H VAL A 80 47.685 5.939 27.796 1.00 0.00 H new ATOM 0 HA VAL A 80 49.174 7.690 26.187 1.00 0.00 H new ATOM 0 HB VAL A 80 47.562 9.405 26.765 1.00 0.00 H new ATOM 0 HG11 VAL A 80 45.497 8.249 25.936 1.00 0.00 H new ATOM 0 HG12 VAL A 80 46.953 7.798 25.017 1.00 0.00 H new ATOM 0 HG13 VAL A 80 46.289 6.683 26.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 45.609 8.945 28.219 1.00 0.00 H new ATOM 0 HG22 VAL A 80 46.387 7.434 28.746 1.00 0.00 H new ATOM 0 HG23 VAL A 80 47.147 9.002 29.112 1.00 0.00 H new ATOM 1227 N GLY A 81 49.810 7.998 29.359 1.00 0.00 N ATOM 1228 CA GLY A 81 50.662 8.630 30.376 1.00 0.00 C ATOM 1229 C GLY A 81 52.151 8.252 30.302 1.00 0.00 C ATOM 1230 O GLY A 81 52.986 9.004 30.808 1.00 0.00 O ATOM 0 H GLY A 81 49.377 7.133 29.682 1.00 0.00 H new ATOM 0 HA2 GLY A 81 50.572 9.712 30.282 1.00 0.00 H new ATOM 0 HA3 GLY A 81 50.283 8.363 31.363 1.00 0.00 H new ATOM 1234 N SER A 82 52.493 7.139 29.635 1.00 0.00 N ATOM 1235 CA SER A 82 53.879 6.654 29.462 1.00 0.00 C ATOM 1236 C SER A 82 54.140 6.083 28.049 1.00 0.00 C ATOM 1237 O SER A 82 54.594 4.942 27.924 1.00 0.00 O ATOM 1238 CB SER A 82 54.243 5.626 30.555 1.00 0.00 C ATOM 1239 OG SER A 82 54.163 6.191 31.853 1.00 0.00 O ATOM 0 H SER A 82 51.802 6.535 29.190 1.00 0.00 H new ATOM 0 HA SER A 82 54.532 7.520 29.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 53.571 4.770 30.488 1.00 0.00 H new ATOM 0 HB3 SER A 82 55.252 5.253 30.382 1.00 0.00 H new ATOM 0 HG SER A 82 54.043 5.477 32.514 1.00 0.00 H new ATOM 1245 N PRO A 83 53.901 6.850 26.960 1.00 0.00 N ATOM 1246 CA PRO A 83 54.108 6.391 25.579 1.00 0.00 C ATOM 1247 C PRO A 83 55.590 6.195 25.199 1.00 0.00 C ATOM 1248 O PRO A 83 55.892 5.698 24.112 1.00 0.00 O ATOM 1249 CB PRO A 83 53.414 7.432 24.696 1.00 0.00 C ATOM 1250 CG PRO A 83 53.545 8.716 25.510 1.00 0.00 C ATOM 1251 CD PRO A 83 53.411 8.224 26.949 1.00 0.00 C ATOM 0 HA PRO A 83 53.686 5.395 25.445 1.00 0.00 H new ATOM 0 HB2 PRO A 83 53.896 7.521 23.722 1.00 0.00 H new ATOM 0 HB3 PRO A 83 52.371 7.175 24.513 1.00 0.00 H new ATOM 0 HG2 PRO A 83 54.503 9.207 25.339 1.00 0.00 H new ATOM 0 HG3 PRO A 83 52.768 9.437 25.256 1.00 0.00 H new ATOM 0 HD2 PRO A 83 53.990 8.849 27.629 1.00 0.00 H new ATOM 0 HD3 PRO A 83 52.374 8.269 27.280 1.00 0.00 H new ATOM 1259 N ASN A 84 56.524 6.542 26.096 1.00 0.00 N ATOM 1260 CA ASN A 84 57.950 6.199 25.998 1.00 0.00 C ATOM 1261 C ASN A 84 58.221 4.679 26.140 1.00 0.00 C ATOM 1262 O ASN A 84 59.350 4.236 25.916 1.00 0.00 O ATOM 1263 CB ASN A 84 58.745 7.025 27.025 1.00 0.00 C ATOM 1264 CG ASN A 84 58.268 6.803 28.446 1.00 0.00 C ATOM 1265 OD1 ASN A 84 58.553 5.805 29.089 1.00 0.00 O ATOM 1266 ND2 ASN A 84 57.487 7.716 28.972 1.00 0.00 N ATOM 0 H ASN A 84 56.303 7.083 26.932 1.00 0.00 H new ATOM 0 HA ASN A 84 58.289 6.455 24.994 1.00 0.00 H new ATOM 0 HB2 ASN A 84 59.801 6.765 26.955 1.00 0.00 H new ATOM 0 HB3 ASN A 84 58.660 8.083 26.778 1.00 0.00 H new ATOM 0 HD21 ASN A 84 57.120 7.591 29.915 1.00 0.00 H new ATOM 0 HD22 ASN A 84 57.247 8.551 28.438 1.00 0.00 H new ATOM 1273 N SER A 85 57.185 3.892 26.455 1.00 0.00 N ATOM 1274 CA SER A 85 57.168 2.428 26.548 1.00 0.00 C ATOM 1275 C SER A 85 55.852 1.853 26.009 1.00 0.00 C ATOM 1276 O SER A 85 54.891 2.587 25.779 1.00 0.00 O ATOM 1277 CB SER A 85 57.332 2.005 28.007 1.00 0.00 C ATOM 1278 OG SER A 85 58.650 2.248 28.455 1.00 0.00 O ATOM 0 H SER A 85 56.271 4.291 26.667 1.00 0.00 H new ATOM 0 HA SER A 85 57.991 2.042 25.946 1.00 0.00 H new ATOM 0 HB2 SER A 85 56.625 2.552 28.631 1.00 0.00 H new ATOM 0 HB3 SER A 85 57.097 0.946 28.112 1.00 0.00 H new ATOM 0 HG SER A 85 58.782 1.823 29.328 1.00 0.00 H new ATOM 1284 N GLN A 86 55.800 0.533 25.822 1.00 0.00 N ATOM 1285 CA GLN A 86 54.679 -0.189 25.208 1.00 0.00 C ATOM 1286 C GLN A 86 54.447 -1.558 25.871 1.00 0.00 C ATOM 1287 O GLN A 86 55.299 -2.052 26.615 1.00 0.00 O ATOM 1288 CB GLN A 86 54.931 -0.308 23.692 1.00 0.00 C ATOM 1289 CG GLN A 86 56.225 -1.044 23.306 1.00 0.00 C ATOM 1290 CD GLN A 86 56.412 -1.104 21.789 1.00 0.00 C ATOM 1291 OE1 GLN A 86 56.225 -0.143 21.057 1.00 0.00 O ATOM 1292 NE2 GLN A 86 56.791 -2.240 21.250 1.00 0.00 N ATOM 0 H GLN A 86 56.561 -0.085 26.102 1.00 0.00 H new ATOM 0 HA GLN A 86 53.759 0.374 25.367 1.00 0.00 H new ATOM 0 HB2 GLN A 86 54.086 -0.826 23.238 1.00 0.00 H new ATOM 0 HB3 GLN A 86 54.958 0.694 23.263 1.00 0.00 H new ATOM 0 HG2 GLN A 86 57.079 -0.540 23.758 1.00 0.00 H new ATOM 0 HG3 GLN A 86 56.202 -2.056 23.710 1.00 0.00 H new ATOM 0 HE21 GLN A 86 56.953 -3.056 21.841 1.00 0.00 H new ATOM 0 HE22 GLN A 86 56.923 -2.307 20.241 1.00 0.00 H new ATOM 1301 N ILE A 87 53.291 -2.179 25.619 1.00 0.00 N ATOM 1302 CA ILE A 87 52.971 -3.513 26.144 1.00 0.00 C ATOM 1303 C ILE A 87 53.832 -4.574 25.441 1.00 0.00 C ATOM 1304 O ILE A 87 53.873 -4.654 24.211 1.00 0.00 O ATOM 1305 CB ILE A 87 51.462 -3.841 26.036 1.00 0.00 C ATOM 1306 CG1 ILE A 87 50.606 -2.740 26.710 1.00 0.00 C ATOM 1307 CG2 ILE A 87 51.182 -5.208 26.699 1.00 0.00 C ATOM 1308 CD1 ILE A 87 49.096 -2.991 26.633 1.00 0.00 C ATOM 0 H ILE A 87 52.551 -1.773 25.046 1.00 0.00 H new ATOM 0 HA ILE A 87 53.207 -3.520 27.208 1.00 0.00 H new ATOM 0 HB ILE A 87 51.190 -3.884 24.981 1.00 0.00 H new ATOM 0 HG12 ILE A 87 50.897 -2.657 27.757 1.00 0.00 H new ATOM 0 HG13 ILE A 87 50.829 -1.782 26.240 1.00 0.00 H new ATOM 0 HG21 ILE A 87 50.119 -5.439 26.623 1.00 0.00 H new ATOM 0 HG22 ILE A 87 51.759 -5.983 26.193 1.00 0.00 H new ATOM 0 HG23 ILE A 87 51.470 -5.169 27.749 1.00 0.00 H new ATOM 0 HD11 ILE A 87 48.566 -2.177 27.127 1.00 0.00 H new ATOM 0 HD12 ILE A 87 48.789 -3.043 25.589 1.00 0.00 H new ATOM 0 HD13 ILE A 87 48.858 -3.932 27.129 1.00 0.00 H new ATOM 1320 N GLY A 88 54.468 -5.431 26.233 1.00 0.00 N ATOM 1321 CA GLY A 88 55.292 -6.570 25.817 1.00 0.00 C ATOM 1322 C GLY A 88 54.985 -7.808 26.663 1.00 0.00 C ATOM 1323 O GLY A 88 54.030 -7.812 27.438 1.00 0.00 O ATOM 0 H GLY A 88 54.421 -5.347 27.248 1.00 0.00 H new ATOM 0 HA2 GLY A 88 55.110 -6.790 24.765 1.00 0.00 H new ATOM 0 HA3 GLY A 88 56.347 -6.314 25.911 1.00 0.00 H new ATOM 1327 N TRP A 89 55.771 -8.874 26.521 1.00 0.00 N ATOM 1328 CA TRP A 89 55.516 -10.174 27.157 1.00 0.00 C ATOM 1329 C TRP A 89 56.739 -10.618 27.960 1.00 0.00 C ATOM 1330 O TRP A 89 57.828 -10.794 27.412 1.00 0.00 O ATOM 1331 CB TRP A 89 55.157 -11.170 26.046 1.00 0.00 C ATOM 1332 CG TRP A 89 54.704 -12.559 26.398 1.00 0.00 C ATOM 1333 CD1 TRP A 89 54.415 -13.073 27.618 1.00 0.00 C ATOM 1334 CD2 TRP A 89 54.451 -13.641 25.454 1.00 0.00 C ATOM 1335 NE1 TRP A 89 54.017 -14.393 27.486 1.00 0.00 N ATOM 1336 CE2 TRP A 89 54.018 -14.795 26.167 1.00 0.00 C ATOM 1337 CE3 TRP A 89 54.540 -13.745 24.053 1.00 0.00 C ATOM 1338 CZ2 TRP A 89 53.698 -15.999 25.519 1.00 0.00 C ATOM 1339 CZ3 TRP A 89 54.223 -14.943 23.386 1.00 0.00 C ATOM 1340 CH2 TRP A 89 53.805 -16.069 24.117 1.00 0.00 C ATOM 0 H TRP A 89 56.618 -8.863 25.952 1.00 0.00 H new ATOM 0 HA TRP A 89 54.688 -10.113 27.864 1.00 0.00 H new ATOM 0 HB2 TRP A 89 54.370 -10.715 25.445 1.00 0.00 H new ATOM 0 HB3 TRP A 89 56.032 -11.268 25.403 1.00 0.00 H new ATOM 0 HD1 TRP A 89 54.484 -12.535 28.552 1.00 0.00 H new ATOM 0 HE1 TRP A 89 53.755 -14.994 28.268 1.00 0.00 H new ATOM 0 HE3 TRP A 89 54.858 -12.888 23.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 53.375 -16.858 26.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 54.301 -14.998 22.310 1.00 0.00 H new ATOM 0 HH2 TRP A 89 53.566 -16.988 23.603 1.00 0.00 H new ATOM 1351 N GLY A 90 56.570 -10.823 29.269 1.00 0.00 N ATOM 1352 CA GLY A 90 57.666 -11.185 30.180 1.00 0.00 C ATOM 1353 C GLY A 90 58.129 -12.647 30.088 1.00 0.00 C ATOM 1354 O GLY A 90 58.796 -13.125 31.005 1.00 0.00 O ATOM 0 H GLY A 90 55.665 -10.743 29.732 1.00 0.00 H new ATOM 0 HA2 GLY A 90 58.518 -10.536 29.976 1.00 0.00 H new ATOM 0 HA3 GLY A 90 57.350 -10.983 31.203 1.00 0.00 H new ATOM 1358 N ALA A 91 57.727 -13.378 29.038 1.00 0.00 N ATOM 1359 CA ALA A 91 57.922 -14.817 28.798 1.00 0.00 C ATOM 1360 C ALA A 91 57.377 -15.778 29.886 1.00 0.00 C ATOM 1361 O ALA A 91 57.459 -17.000 29.745 1.00 0.00 O ATOM 1362 CB ALA A 91 59.396 -15.060 28.462 1.00 0.00 C ATOM 0 H ALA A 91 57.215 -12.943 28.271 1.00 0.00 H new ATOM 0 HA ALA A 91 57.292 -15.079 27.948 1.00 0.00 H new ATOM 0 HB1 ALA A 91 59.558 -16.123 28.281 1.00 0.00 H new ATOM 0 HB2 ALA A 91 59.664 -14.495 27.569 1.00 0.00 H new ATOM 0 HB3 ALA A 91 60.018 -14.735 29.296 1.00 0.00 H new ATOM 1368 N GLY A 92 56.765 -15.234 30.940 1.00 0.00 N ATOM 1369 CA GLY A 92 56.166 -15.931 32.085 1.00 0.00 C ATOM 1370 C GLY A 92 54.635 -15.973 32.023 1.00 0.00 C ATOM 1371 O GLY A 92 53.972 -15.869 33.054 1.00 0.00 O ATOM 0 H GLY A 92 56.667 -14.222 31.024 1.00 0.00 H new ATOM 0 HA2 GLY A 92 56.551 -16.950 32.126 1.00 0.00 H new ATOM 0 HA3 GLY A 92 56.474 -15.437 33.006 1.00 0.00 H new ATOM 1375 N ASN A 93 54.078 -16.085 30.809 1.00 0.00 N ATOM 1376 CA ASN A 93 52.632 -16.149 30.522 1.00 0.00 C ATOM 1377 C ASN A 93 51.804 -14.952 31.061 1.00 0.00 C ATOM 1378 O ASN A 93 50.617 -15.095 31.357 1.00 0.00 O ATOM 1379 CB ASN A 93 52.098 -17.531 30.948 1.00 0.00 C ATOM 1380 CG ASN A 93 52.817 -18.683 30.264 1.00 0.00 C ATOM 1381 OD1 ASN A 93 52.971 -18.722 29.051 1.00 0.00 O ATOM 1382 ND2 ASN A 93 53.298 -19.651 31.013 1.00 0.00 N ATOM 0 H ASN A 93 54.644 -16.136 29.962 1.00 0.00 H new ATOM 0 HA ASN A 93 52.500 -16.041 29.445 1.00 0.00 H new ATOM 0 HB2 ASN A 93 52.200 -17.637 32.028 1.00 0.00 H new ATOM 0 HB3 ASN A 93 51.033 -17.589 30.721 1.00 0.00 H new ATOM 0 HD21 ASN A 93 53.797 -20.429 30.582 1.00 0.00 H new ATOM 0 HD22 ASN A 93 53.172 -19.623 32.025 1.00 0.00 H new ATOM 1389 N VAL A 94 52.410 -13.759 31.153 1.00 0.00 N ATOM 1390 CA VAL A 94 51.742 -12.491 31.525 1.00 0.00 C ATOM 1391 C VAL A 94 52.277 -11.316 30.681 1.00 0.00 C ATOM 1392 O VAL A 94 53.475 -11.291 30.371 1.00 0.00 O ATOM 1393 CB VAL A 94 51.900 -12.169 33.032 1.00 0.00 C ATOM 1394 CG1 VAL A 94 51.228 -13.220 33.925 1.00 0.00 C ATOM 1395 CG2 VAL A 94 53.359 -12.033 33.495 1.00 0.00 C ATOM 0 H VAL A 94 53.406 -13.640 30.967 1.00 0.00 H new ATOM 0 HA VAL A 94 50.680 -12.625 31.319 1.00 0.00 H new ATOM 0 HB VAL A 94 51.408 -11.202 33.140 1.00 0.00 H new ATOM 0 HG11 VAL A 94 51.366 -12.950 34.972 1.00 0.00 H new ATOM 0 HG12 VAL A 94 50.163 -13.262 33.699 1.00 0.00 H new ATOM 0 HG13 VAL A 94 51.677 -14.196 33.740 1.00 0.00 H new ATOM 0 HG21 VAL A 94 53.383 -11.807 34.561 1.00 0.00 H new ATOM 0 HG22 VAL A 94 53.888 -12.968 33.310 1.00 0.00 H new ATOM 0 HG23 VAL A 94 53.842 -11.227 32.943 1.00 0.00 H new ATOM 1405 N PRO A 95 51.438 -10.333 30.296 1.00 0.00 N ATOM 1406 CA PRO A 95 51.897 -9.130 29.610 1.00 0.00 C ATOM 1407 C PRO A 95 52.507 -8.141 30.615 1.00 0.00 C ATOM 1408 O PRO A 95 52.090 -8.075 31.772 1.00 0.00 O ATOM 1409 CB PRO A 95 50.647 -8.550 28.947 1.00 0.00 C ATOM 1410 CG PRO A 95 49.540 -8.913 29.932 1.00 0.00 C ATOM 1411 CD PRO A 95 50.013 -10.217 30.580 1.00 0.00 C ATOM 0 HA PRO A 95 52.676 -9.340 28.878 1.00 0.00 H new ATOM 0 HB2 PRO A 95 50.727 -7.472 28.808 1.00 0.00 H new ATOM 0 HB3 PRO A 95 50.472 -8.986 27.964 1.00 0.00 H new ATOM 0 HG2 PRO A 95 49.398 -8.129 30.676 1.00 0.00 H new ATOM 0 HG3 PRO A 95 48.585 -9.046 29.424 1.00 0.00 H new ATOM 0 HD2 PRO A 95 49.833 -10.203 31.655 1.00 0.00 H new ATOM 0 HD3 PRO A 95 49.467 -11.070 30.176 1.00 0.00 H new ATOM 1419 N VAL A 96 53.457 -7.330 30.157 1.00 0.00 N ATOM 1420 CA VAL A 96 54.233 -6.345 30.934 1.00 0.00 C ATOM 1421 C VAL A 96 54.332 -5.017 30.171 1.00 0.00 C ATOM 1422 O VAL A 96 53.948 -4.953 29.004 1.00 0.00 O ATOM 1423 CB VAL A 96 55.648 -6.882 31.266 1.00 0.00 C ATOM 1424 CG1 VAL A 96 55.611 -8.157 32.120 1.00 0.00 C ATOM 1425 CG2 VAL A 96 56.489 -7.180 30.015 1.00 0.00 C ATOM 0 H VAL A 96 53.729 -7.337 29.174 1.00 0.00 H new ATOM 0 HA VAL A 96 53.709 -6.172 31.874 1.00 0.00 H new ATOM 0 HB VAL A 96 56.113 -6.073 31.829 1.00 0.00 H new ATOM 0 HG11 VAL A 96 56.629 -8.489 32.322 1.00 0.00 H new ATOM 0 HG12 VAL A 96 55.103 -7.949 33.062 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.074 -8.939 31.583 1.00 0.00 H new ATOM 0 HG21 VAL A 96 57.468 -7.553 30.315 1.00 0.00 H new ATOM 0 HG22 VAL A 96 55.985 -7.932 29.408 1.00 0.00 H new ATOM 0 HG23 VAL A 96 56.611 -6.267 29.433 1.00 0.00 H new ATOM 1435 N VAL A 97 54.891 -3.967 30.781 1.00 0.00 N ATOM 1436 CA VAL A 97 55.166 -2.680 30.104 1.00 0.00 C ATOM 1437 C VAL A 97 56.676 -2.426 30.073 1.00 0.00 C ATOM 1438 O VAL A 97 57.341 -2.497 31.110 1.00 0.00 O ATOM 1439 CB VAL A 97 54.402 -1.507 30.754 1.00 0.00 C ATOM 1440 CG1 VAL A 97 54.510 -0.251 29.878 1.00 0.00 C ATOM 1441 CG2 VAL A 97 52.907 -1.815 30.924 1.00 0.00 C ATOM 0 H VAL A 97 55.169 -3.978 31.762 1.00 0.00 H new ATOM 0 HA VAL A 97 54.802 -2.747 29.079 1.00 0.00 H new ATOM 0 HB VAL A 97 54.855 -1.349 31.733 1.00 0.00 H new ATOM 0 HG11 VAL A 97 53.967 0.568 30.348 1.00 0.00 H new ATOM 0 HG12 VAL A 97 55.558 0.026 29.766 1.00 0.00 H new ATOM 0 HG13 VAL A 97 54.082 -0.454 28.896 1.00 0.00 H new ATOM 0 HG21 VAL A 97 52.410 -0.962 31.385 1.00 0.00 H new ATOM 0 HG22 VAL A 97 52.462 -2.010 29.948 1.00 0.00 H new ATOM 0 HG23 VAL A 97 52.786 -2.692 31.560 1.00 0.00 H new ATOM 1451 N LEU A 98 57.219 -2.173 28.876 1.00 0.00 N ATOM 1452 CA LEU A 98 58.665 -2.138 28.605 1.00 0.00 C ATOM 1453 C LEU A 98 59.008 -1.121 27.484 1.00 0.00 C ATOM 1454 O LEU A 98 58.185 -0.936 26.580 1.00 0.00 O ATOM 1455 CB LEU A 98 59.051 -3.583 28.199 1.00 0.00 C ATOM 1456 CG LEU A 98 60.551 -3.921 28.164 1.00 0.00 C ATOM 1457 CD1 LEU A 98 61.178 -3.896 29.562 1.00 0.00 C ATOM 1458 CD2 LEU A 98 60.750 -5.334 27.609 1.00 0.00 C ATOM 0 H LEU A 98 56.654 -1.982 28.049 1.00 0.00 H new ATOM 0 HA LEU A 98 59.226 -1.809 29.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.565 -4.271 28.891 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.636 -3.779 27.210 1.00 0.00 H new ATOM 0 HG LEU A 98 61.029 -3.169 27.537 1.00 0.00 H new ATOM 0 HD11 LEU A 98 62.238 -4.140 29.490 1.00 0.00 H new ATOM 0 HD12 LEU A 98 61.063 -2.902 29.994 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.679 -4.628 30.198 1.00 0.00 H new ATOM 0 HD21 LEU A 98 61.814 -5.569 27.586 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.233 -6.051 28.247 1.00 0.00 H new ATOM 0 HD23 LEU A 98 60.344 -5.389 26.599 1.00 0.00 H new ATOM 1470 N PRO A 99 60.188 -0.461 27.494 1.00 0.00 N ATOM 1471 CA PRO A 99 60.643 0.400 26.393 1.00 0.00 C ATOM 1472 C PRO A 99 60.579 -0.278 25.008 1.00 0.00 C ATOM 1473 O PRO A 99 60.733 -1.500 24.918 1.00 0.00 O ATOM 1474 CB PRO A 99 62.074 0.811 26.749 1.00 0.00 C ATOM 1475 CG PRO A 99 62.074 0.767 28.274 1.00 0.00 C ATOM 1476 CD PRO A 99 61.158 -0.416 28.580 1.00 0.00 C ATOM 0 HA PRO A 99 59.980 1.260 26.297 1.00 0.00 H new ATOM 0 HB2 PRO A 99 62.808 0.126 26.325 1.00 0.00 H new ATOM 0 HB3 PRO A 99 62.313 1.806 26.374 1.00 0.00 H new ATOM 0 HG2 PRO A 99 63.077 0.616 28.674 1.00 0.00 H new ATOM 0 HG3 PRO A 99 61.695 1.694 28.705 1.00 0.00 H new ATOM 0 HD2 PRO A 99 61.725 -1.345 28.636 1.00 0.00 H new ATOM 0 HD3 PRO A 99 60.662 -0.287 29.542 1.00 0.00 H new ATOM 1484 N PRO A 100 60.367 0.482 23.917 1.00 0.00 N ATOM 1485 CA PRO A 100 60.110 -0.081 22.594 1.00 0.00 C ATOM 1486 C PRO A 100 61.350 -0.740 21.970 1.00 0.00 C ATOM 1487 O PRO A 100 62.490 -0.305 22.158 1.00 0.00 O ATOM 1488 CB PRO A 100 59.602 1.093 21.747 1.00 0.00 C ATOM 1489 CG PRO A 100 60.264 2.310 22.390 1.00 0.00 C ATOM 1490 CD PRO A 100 60.289 1.933 23.870 1.00 0.00 C ATOM 0 HA PRO A 100 59.381 -0.889 22.653 1.00 0.00 H new ATOM 0 HB2 PRO A 100 59.888 0.986 20.701 1.00 0.00 H new ATOM 0 HB3 PRO A 100 58.515 1.166 21.774 1.00 0.00 H new ATOM 0 HG2 PRO A 100 61.267 2.480 21.998 1.00 0.00 H new ATOM 0 HG3 PRO A 100 59.694 3.222 22.214 1.00 0.00 H new ATOM 0 HD2 PRO A 100 61.144 2.385 24.373 1.00 0.00 H new ATOM 0 HD3 PRO A 100 59.394 2.292 24.378 1.00 0.00 H new ATOM 1498 N ASN A 101 61.094 -1.773 21.167 1.00 0.00 N ATOM 1499 CA ASN A 101 62.066 -2.466 20.321 1.00 0.00 C ATOM 1500 C ASN A 101 61.341 -2.940 19.054 1.00 0.00 C ATOM 1501 O ASN A 101 61.385 -2.257 18.032 1.00 0.00 O ATOM 1502 CB ASN A 101 62.709 -3.604 21.147 1.00 0.00 C ATOM 1503 CG ASN A 101 63.603 -4.525 20.330 1.00 0.00 C ATOM 1504 OD1 ASN A 101 64.332 -4.101 19.445 1.00 0.00 O ATOM 1505 ND2 ASN A 101 63.561 -5.817 20.574 1.00 0.00 N ATOM 0 H ASN A 101 60.157 -2.169 21.085 1.00 0.00 H new ATOM 0 HA ASN A 101 62.882 -1.820 19.996 1.00 0.00 H new ATOM 0 HB2 ASN A 101 63.295 -3.167 21.956 1.00 0.00 H new ATOM 0 HB3 ASN A 101 61.919 -4.196 21.610 1.00 0.00 H new ATOM 0 HD21 ASN A 101 64.135 -6.458 20.026 1.00 0.00 H new ATOM 0 HD22 ASN A 101 62.955 -6.177 21.311 1.00 0.00 H new ATOM 1512 N ASN A 102 60.591 -4.042 19.159 1.00 0.00 N ATOM 1513 CA ASN A 102 59.758 -4.605 18.089 1.00 0.00 C ATOM 1514 C ASN A 102 58.554 -5.408 18.642 1.00 0.00 C ATOM 1515 O ASN A 102 57.962 -6.203 17.919 1.00 0.00 O ATOM 1516 CB ASN A 102 60.666 -5.478 17.188 1.00 0.00 C ATOM 1517 CG ASN A 102 61.573 -4.715 16.236 1.00 0.00 C ATOM 1518 OD1 ASN A 102 62.777 -4.923 16.185 1.00 0.00 O ATOM 1519 ND2 ASN A 102 61.030 -3.837 15.426 1.00 0.00 N ATOM 0 H ASN A 102 60.545 -4.586 20.021 1.00 0.00 H new ATOM 0 HA ASN A 102 59.321 -3.795 17.505 1.00 0.00 H new ATOM 0 HB2 ASN A 102 61.286 -6.106 17.827 1.00 0.00 H new ATOM 0 HB3 ASN A 102 60.033 -6.145 16.603 1.00 0.00 H new ATOM 0 HD21 ASN A 102 61.612 -3.332 14.758 1.00 0.00 H new ATOM 0 HD22 ASN A 102 60.026 -3.660 15.465 1.00 0.00 H new ATOM 1526 N TYR A 103 58.204 -5.277 19.925 1.00 0.00 N ATOM 1527 CA TYR A 103 57.129 -6.065 20.555 1.00 0.00 C ATOM 1528 C TYR A 103 55.761 -5.696 19.953 1.00 0.00 C ATOM 1529 O TYR A 103 55.451 -4.510 19.844 1.00 0.00 O ATOM 1530 CB TYR A 103 57.158 -5.839 22.079 1.00 0.00 C ATOM 1531 CG TYR A 103 58.551 -5.886 22.690 1.00 0.00 C ATOM 1532 CD1 TYR A 103 59.363 -7.022 22.500 1.00 0.00 C ATOM 1533 CD2 TYR A 103 59.058 -4.775 23.395 1.00 0.00 C ATOM 1534 CE1 TYR A 103 60.685 -7.033 22.984 1.00 0.00 C ATOM 1535 CE2 TYR A 103 60.374 -4.794 23.893 1.00 0.00 C ATOM 1536 CZ TYR A 103 61.194 -5.923 23.685 1.00 0.00 C ATOM 1537 OH TYR A 103 62.477 -5.944 24.137 1.00 0.00 O ATOM 0 H TYR A 103 58.657 -4.621 20.562 1.00 0.00 H new ATOM 0 HA TYR A 103 57.291 -7.125 20.359 1.00 0.00 H new ATOM 0 HB2 TYR A 103 56.709 -4.871 22.300 1.00 0.00 H new ATOM 0 HB3 TYR A 103 56.537 -6.595 22.559 1.00 0.00 H new ATOM 0 HD1 TYR A 103 58.971 -7.885 21.983 1.00 0.00 H new ATOM 0 HD2 TYR A 103 58.435 -3.907 23.553 1.00 0.00 H new ATOM 0 HE1 TYR A 103 61.312 -7.897 22.817 1.00 0.00 H new ATOM 0 HE2 TYR A 103 60.757 -3.942 24.436 1.00 0.00 H new ATOM 0 HH TYR A 103 62.675 -5.103 24.599 1.00 0.00 H new ATOM 1547 N VAL A 104 54.945 -6.684 19.568 1.00 0.00 N ATOM 1548 CA VAL A 104 53.652 -6.480 18.871 1.00 0.00 C ATOM 1549 C VAL A 104 52.555 -7.390 19.423 1.00 0.00 C ATOM 1550 O VAL A 104 52.845 -8.401 20.060 1.00 0.00 O ATOM 1551 CB VAL A 104 53.755 -6.726 17.346 1.00 0.00 C ATOM 1552 CG1 VAL A 104 54.604 -5.677 16.630 1.00 0.00 C ATOM 1553 CG2 VAL A 104 54.299 -8.117 16.999 1.00 0.00 C ATOM 0 H VAL A 104 55.161 -7.668 19.731 1.00 0.00 H new ATOM 0 HA VAL A 104 53.394 -5.436 19.051 1.00 0.00 H new ATOM 0 HB VAL A 104 52.727 -6.651 16.993 1.00 0.00 H new ATOM 0 HG11 VAL A 104 54.639 -5.903 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 104 54.164 -4.691 16.778 1.00 0.00 H new ATOM 0 HG13 VAL A 104 55.615 -5.688 17.037 1.00 0.00 H new ATOM 0 HG21 VAL A 104 54.348 -8.229 15.916 1.00 0.00 H new ATOM 0 HG22 VAL A 104 55.297 -8.233 17.421 1.00 0.00 H new ATOM 0 HG23 VAL A 104 53.639 -8.879 17.413 1.00 0.00 H new ATOM 1563 N TRP A 105 51.300 -7.068 19.107 1.00 0.00 N ATOM 1564 CA TRP A 105 50.117 -7.868 19.436 1.00 0.00 C ATOM 1565 C TRP A 105 49.121 -7.879 18.273 1.00 0.00 C ATOM 1566 O TRP A 105 49.086 -6.955 17.456 1.00 0.00 O ATOM 1567 CB TRP A 105 49.468 -7.315 20.713 1.00 0.00 C ATOM 1568 CG TRP A 105 50.357 -7.386 21.915 1.00 0.00 C ATOM 1569 CD1 TRP A 105 51.084 -6.365 22.424 1.00 0.00 C ATOM 1570 CD2 TRP A 105 50.690 -8.557 22.722 1.00 0.00 C ATOM 1571 NE1 TRP A 105 51.851 -6.821 23.477 1.00 0.00 N ATOM 1572 CE2 TRP A 105 51.627 -8.161 23.723 1.00 0.00 C ATOM 1573 CE3 TRP A 105 50.292 -9.913 22.710 1.00 0.00 C ATOM 1574 CZ2 TRP A 105 52.110 -9.062 24.682 1.00 0.00 C ATOM 1575 CZ3 TRP A 105 50.795 -10.831 23.652 1.00 0.00 C ATOM 1576 CH2 TRP A 105 51.694 -10.403 24.643 1.00 0.00 C ATOM 0 H TRP A 105 51.070 -6.215 18.598 1.00 0.00 H new ATOM 0 HA TRP A 105 50.422 -8.900 19.611 1.00 0.00 H new ATOM 0 HB2 TRP A 105 49.181 -6.277 20.545 1.00 0.00 H new ATOM 0 HB3 TRP A 105 48.552 -7.870 20.915 1.00 0.00 H new ATOM 0 HD1 TRP A 105 51.067 -5.348 22.062 1.00 0.00 H new ATOM 0 HE1 TRP A 105 52.502 -6.241 24.007 1.00 0.00 H new ATOM 0 HE3 TRP A 105 49.588 -10.252 21.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 52.797 -8.728 25.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 50.489 -11.866 23.612 1.00 0.00 H new ATOM 0 HH2 TRP A 105 52.065 -11.105 25.375 1.00 0.00 H new ATOM 1587 N THR A 106 48.302 -8.924 18.203 1.00 0.00 N ATOM 1588 CA THR A 106 47.316 -9.150 17.137 1.00 0.00 C ATOM 1589 C THR A 106 45.918 -8.833 17.664 1.00 0.00 C ATOM 1590 O THR A 106 45.552 -9.291 18.750 1.00 0.00 O ATOM 1591 CB THR A 106 47.354 -10.615 16.665 1.00 0.00 C ATOM 1592 OG1 THR A 106 48.680 -11.059 16.464 1.00 0.00 O ATOM 1593 CG2 THR A 106 46.627 -10.789 15.333 1.00 0.00 C ATOM 0 H THR A 106 48.302 -9.663 18.906 1.00 0.00 H new ATOM 0 HA THR A 106 47.558 -8.500 16.296 1.00 0.00 H new ATOM 0 HB THR A 106 46.868 -11.195 17.450 1.00 0.00 H new ATOM 0 HG1 THR A 106 48.826 -11.891 16.962 1.00 0.00 H new ATOM 0 HG21 THR A 106 46.672 -11.834 15.028 1.00 0.00 H new ATOM 0 HG22 THR A 106 45.585 -10.488 15.445 1.00 0.00 H new ATOM 0 HG23 THR A 106 47.104 -10.169 14.574 1.00 0.00 H new ATOM 1601 N LEU A 107 45.121 -8.079 16.898 1.00 0.00 N ATOM 1602 CA LEU A 107 43.745 -7.708 17.285 1.00 0.00 C ATOM 1603 C LEU A 107 42.737 -8.320 16.311 1.00 0.00 C ATOM 1604 O LEU A 107 43.006 -8.399 15.116 1.00 0.00 O ATOM 1605 CB LEU A 107 43.540 -6.177 17.320 1.00 0.00 C ATOM 1606 CG LEU A 107 44.279 -5.347 18.388 1.00 0.00 C ATOM 1607 CD1 LEU A 107 43.950 -5.815 19.801 1.00 0.00 C ATOM 1608 CD2 LEU A 107 45.792 -5.306 18.217 1.00 0.00 C ATOM 0 H LEU A 107 45.407 -7.707 15.992 1.00 0.00 H new ATOM 0 HA LEU A 107 43.584 -8.098 18.290 1.00 0.00 H new ATOM 0 HB2 LEU A 107 43.825 -5.785 16.344 1.00 0.00 H new ATOM 0 HB3 LEU A 107 42.473 -5.991 17.439 1.00 0.00 H new ATOM 0 HG LEU A 107 43.910 -4.333 18.237 1.00 0.00 H new ATOM 0 HD11 LEU A 107 44.492 -5.203 20.522 1.00 0.00 H new ATOM 0 HD12 LEU A 107 42.878 -5.719 19.976 1.00 0.00 H new ATOM 0 HD13 LEU A 107 44.244 -6.858 19.917 1.00 0.00 H new ATOM 0 HD21 LEU A 107 46.232 -4.701 19.010 1.00 0.00 H new ATOM 0 HD22 LEU A 107 46.192 -6.319 18.269 1.00 0.00 H new ATOM 0 HD23 LEU A 107 46.037 -4.869 17.249 1.00 0.00 H new ATOM 1620 N THR A 108 41.558 -8.719 16.794 1.00 0.00 N ATOM 1621 CA THR A 108 40.513 -9.332 15.946 1.00 0.00 C ATOM 1622 C THR A 108 39.128 -8.821 16.307 1.00 0.00 C ATOM 1623 O THR A 108 38.765 -8.794 17.481 1.00 0.00 O ATOM 1624 CB THR A 108 40.512 -10.861 16.073 1.00 0.00 C ATOM 1625 OG1 THR A 108 41.823 -11.353 15.948 1.00 0.00 O ATOM 1626 CG2 THR A 108 39.698 -11.552 14.985 1.00 0.00 C ATOM 0 H THR A 108 41.294 -8.631 17.775 1.00 0.00 H new ATOM 0 HA THR A 108 40.749 -9.050 14.920 1.00 0.00 H new ATOM 0 HB THR A 108 40.073 -11.074 17.048 1.00 0.00 H new ATOM 0 HG1 THR A 108 42.297 -11.242 16.799 1.00 0.00 H new ATOM 0 HG21 THR A 108 39.737 -12.631 15.131 1.00 0.00 H new ATOM 0 HG22 THR A 108 38.662 -11.216 15.037 1.00 0.00 H new ATOM 0 HG23 THR A 108 40.111 -11.303 14.008 1.00 0.00 H new ATOM 1634 N LEU A 109 38.344 -8.468 15.289 1.00 0.00 N ATOM 1635 CA LEU A 109 36.944 -8.052 15.414 1.00 0.00 C ATOM 1636 C LEU A 109 36.006 -9.240 15.143 1.00 0.00 C ATOM 1637 O LEU A 109 36.270 -10.075 14.275 1.00 0.00 O ATOM 1638 CB LEU A 109 36.740 -6.881 14.434 1.00 0.00 C ATOM 1639 CG LEU A 109 35.369 -6.180 14.373 1.00 0.00 C ATOM 1640 CD1 LEU A 109 34.374 -6.862 13.432 1.00 0.00 C ATOM 1641 CD2 LEU A 109 34.723 -5.918 15.730 1.00 0.00 C ATOM 0 H LEU A 109 38.674 -8.463 14.324 1.00 0.00 H new ATOM 0 HA LEU A 109 36.705 -7.719 16.424 1.00 0.00 H new ATOM 0 HB2 LEU A 109 37.486 -6.122 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 109 36.965 -7.248 13.433 1.00 0.00 H new ATOM 0 HG LEU A 109 35.615 -5.205 13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 109 33.432 -6.314 13.440 1.00 0.00 H new ATOM 0 HD12 LEU A 109 34.779 -6.873 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 109 34.201 -7.886 13.765 1.00 0.00 H new ATOM 0 HD21 LEU A 109 33.763 -5.422 15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 109 34.569 -6.864 16.248 1.00 0.00 H new ATOM 0 HD23 LEU A 109 35.375 -5.280 16.326 1.00 0.00 H new ATOM 1692 N TYR A 114 35.632 -7.800 20.551 1.00 0.00 N ATOM 1693 CA TYR A 114 37.039 -7.808 20.138 1.00 0.00 C ATOM 1694 C TYR A 114 37.844 -8.906 20.861 1.00 0.00 C ATOM 1695 O TYR A 114 37.492 -9.365 21.951 1.00 0.00 O ATOM 1696 CB TYR A 114 37.659 -6.417 20.381 1.00 0.00 C ATOM 1697 CG TYR A 114 37.601 -5.484 19.184 1.00 0.00 C ATOM 1698 CD1 TYR A 114 38.617 -5.556 18.210 1.00 0.00 C ATOM 1699 CD2 TYR A 114 36.550 -4.555 19.035 1.00 0.00 C ATOM 1700 CE1 TYR A 114 38.578 -4.721 17.078 1.00 0.00 C ATOM 1701 CE2 TYR A 114 36.511 -3.706 17.908 1.00 0.00 C ATOM 1702 CZ TYR A 114 37.519 -3.797 16.923 1.00 0.00 C ATOM 1703 OH TYR A 114 37.445 -3.020 15.809 1.00 0.00 O ATOM 0 HA TYR A 114 37.080 -8.037 19.073 1.00 0.00 H new ATOM 0 HB2 TYR A 114 37.145 -5.945 21.219 1.00 0.00 H new ATOM 0 HB3 TYR A 114 38.700 -6.544 20.677 1.00 0.00 H new ATOM 0 HD1 TYR A 114 39.430 -6.256 18.333 1.00 0.00 H new ATOM 0 HD2 TYR A 114 35.774 -4.493 19.784 1.00 0.00 H new ATOM 0 HE1 TYR A 114 39.354 -4.786 16.330 1.00 0.00 H new ATOM 0 HE2 TYR A 114 35.712 -2.988 17.799 1.00 0.00 H new ATOM 0 HH TYR A 114 36.655 -2.443 15.865 1.00 0.00 H new ATOM 1713 N ASN A 115 38.973 -9.299 20.270 1.00 0.00 N ATOM 1714 CA ASN A 115 39.939 -10.244 20.847 1.00 0.00 C ATOM 1715 C ASN A 115 41.382 -9.755 20.674 1.00 0.00 C ATOM 1716 O ASN A 115 41.682 -8.962 19.777 1.00 0.00 O ATOM 1717 CB ASN A 115 39.779 -11.641 20.226 1.00 0.00 C ATOM 1718 CG ASN A 115 38.381 -12.196 20.388 1.00 0.00 C ATOM 1719 OD1 ASN A 115 38.010 -12.745 21.414 1.00 0.00 O ATOM 1720 ND2 ASN A 115 37.564 -12.064 19.372 1.00 0.00 N ATOM 0 H ASN A 115 39.252 -8.960 19.349 1.00 0.00 H new ATOM 0 HA ASN A 115 39.728 -10.306 21.915 1.00 0.00 H new ATOM 0 HB2 ASN A 115 40.026 -11.593 19.165 1.00 0.00 H new ATOM 0 HB3 ASN A 115 40.492 -12.323 20.688 1.00 0.00 H new ATOM 0 HD21 ASN A 115 36.611 -12.421 19.435 1.00 0.00 H new ATOM 0 HD22 ASN A 115 37.882 -11.604 18.519 1.00 0.00 H new ATOM 1727 N ILE A 116 42.262 -10.253 21.546 1.00 0.00 N ATOM 1728 CA ILE A 116 43.666 -9.828 21.675 1.00 0.00 C ATOM 1729 C ILE A 116 44.562 -11.060 21.860 1.00 0.00 C ATOM 1730 O ILE A 116 44.406 -11.803 22.832 1.00 0.00 O ATOM 1731 CB ILE A 116 43.853 -8.827 22.845 1.00 0.00 C ATOM 1732 CG1 ILE A 116 42.780 -7.711 22.840 1.00 0.00 C ATOM 1733 CG2 ILE A 116 45.278 -8.250 22.761 1.00 0.00 C ATOM 1734 CD1 ILE A 116 42.912 -6.667 23.951 1.00 0.00 C ATOM 0 H ILE A 116 42.012 -10.989 22.207 1.00 0.00 H new ATOM 0 HA ILE A 116 43.955 -9.310 20.761 1.00 0.00 H new ATOM 0 HB ILE A 116 43.723 -9.352 23.791 1.00 0.00 H new ATOM 0 HG12 ILE A 116 42.817 -7.200 21.878 1.00 0.00 H new ATOM 0 HG13 ILE A 116 41.797 -8.176 22.916 1.00 0.00 H new ATOM 0 HG21 ILE A 116 45.433 -7.542 23.575 1.00 0.00 H new ATOM 0 HG22 ILE A 116 46.004 -9.059 22.841 1.00 0.00 H new ATOM 0 HG23 ILE A 116 45.408 -7.739 21.807 1.00 0.00 H new ATOM 0 HD11 ILE A 116 42.113 -5.932 23.857 1.00 0.00 H new ATOM 0 HD12 ILE A 116 42.841 -7.158 24.922 1.00 0.00 H new ATOM 0 HD13 ILE A 116 43.877 -6.167 23.867 1.00 0.00 H new ATOM 1746 N GLN A 117 45.490 -11.284 20.927 1.00 0.00 N ATOM 1747 CA GLN A 117 46.329 -12.489 20.861 1.00 0.00 C ATOM 1748 C GLN A 117 47.796 -12.179 20.517 1.00 0.00 C ATOM 1749 O GLN A 117 48.141 -11.088 20.063 1.00 0.00 O ATOM 1750 CB GLN A 117 45.750 -13.476 19.828 1.00 0.00 C ATOM 1751 CG GLN A 117 44.391 -14.064 20.241 1.00 0.00 C ATOM 1752 CD GLN A 117 44.037 -15.299 19.417 1.00 0.00 C ATOM 1753 OE1 GLN A 117 43.157 -15.282 18.569 1.00 0.00 O ATOM 1754 NE2 GLN A 117 44.734 -16.400 19.591 1.00 0.00 N ATOM 0 H GLN A 117 45.686 -10.619 20.178 1.00 0.00 H new ATOM 0 HA GLN A 117 46.321 -12.935 21.855 1.00 0.00 H new ATOM 0 HB2 GLN A 117 45.641 -12.966 18.871 1.00 0.00 H new ATOM 0 HB3 GLN A 117 46.459 -14.290 19.677 1.00 0.00 H new ATOM 0 HG2 GLN A 117 44.414 -14.326 21.299 1.00 0.00 H new ATOM 0 HG3 GLN A 117 43.615 -13.309 20.117 1.00 0.00 H new ATOM 0 HE21 GLN A 117 45.472 -16.431 20.295 1.00 0.00 H new ATOM 0 HE22 GLN A 117 44.537 -17.224 19.022 1.00 0.00 H new ATOM 1763 N ASP A 118 48.662 -13.168 20.731 1.00 0.00 N ATOM 1764 CA ASP A 118 50.073 -13.165 20.336 1.00 0.00 C ATOM 1765 C ASP A 118 50.279 -13.273 18.807 1.00 0.00 C ATOM 1766 O ASP A 118 49.379 -13.673 18.058 1.00 0.00 O ATOM 1767 CB ASP A 118 50.751 -14.345 21.044 1.00 0.00 C ATOM 1768 CG ASP A 118 50.303 -15.681 20.434 1.00 0.00 C ATOM 1769 OD1 ASP A 118 49.141 -16.095 20.642 1.00 0.00 O ATOM 1770 OD2 ASP A 118 51.102 -16.269 19.676 1.00 0.00 O ATOM 0 H ASP A 118 48.390 -14.030 21.204 1.00 0.00 H new ATOM 0 HA ASP A 118 50.513 -12.211 20.628 1.00 0.00 H new ATOM 0 HB2 ASP A 118 51.834 -14.249 20.964 1.00 0.00 H new ATOM 0 HB3 ASP A 118 50.507 -14.326 22.106 1.00 0.00 H new ATOM 1775 N GLY A 119 51.499 -12.983 18.343 1.00 0.00 N ATOM 1776 CA GLY A 119 51.909 -13.061 16.933 1.00 0.00 C ATOM 1777 C GLY A 119 51.889 -14.453 16.268 1.00 0.00 C ATOM 1778 O GLY A 119 52.139 -14.536 15.063 1.00 0.00 O ATOM 0 H GLY A 119 52.254 -12.677 18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 119 51.261 -12.402 16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 119 52.921 -12.663 16.853 1.00 0.00 H new ATOM 1782 N LYS A 120 51.585 -15.537 17.001 1.00 0.00 N ATOM 1783 CA LYS A 120 51.493 -16.931 16.510 1.00 0.00 C ATOM 1784 C LYS A 120 50.110 -17.563 16.759 1.00 0.00 C ATOM 1785 O LYS A 120 49.908 -18.729 16.412 1.00 0.00 O ATOM 1786 CB LYS A 120 52.585 -17.836 17.136 1.00 0.00 C ATOM 1787 CG LYS A 120 54.013 -17.266 17.235 1.00 0.00 C ATOM 1788 CD LYS A 120 54.236 -16.514 18.555 1.00 0.00 C ATOM 1789 CE LYS A 120 55.679 -16.046 18.770 1.00 0.00 C ATOM 1790 NZ LYS A 120 56.180 -15.162 17.690 1.00 0.00 N ATOM 0 H LYS A 120 51.387 -15.467 17.999 1.00 0.00 H new ATOM 0 HA LYS A 120 51.650 -16.868 15.433 1.00 0.00 H new ATOM 0 HB2 LYS A 120 52.261 -18.107 18.141 1.00 0.00 H new ATOM 0 HB3 LYS A 120 52.631 -18.758 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 120 54.735 -18.078 17.153 1.00 0.00 H new ATOM 0 HG3 LYS A 120 54.194 -16.592 16.398 1.00 0.00 H new ATOM 0 HD2 LYS A 120 53.576 -15.647 18.583 1.00 0.00 H new ATOM 0 HD3 LYS A 120 53.948 -17.161 19.383 1.00 0.00 H new ATOM 0 HE2 LYS A 120 55.743 -15.517 19.721 1.00 0.00 H new ATOM 0 HE3 LYS A 120 56.328 -16.918 18.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 57.160 -14.882 17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 56.149 -15.670 16.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 55.583 -14.313 17.631 1.00 0.00 H new ATOM 1804 N ARG A 121 49.159 -16.813 17.340 1.00 0.00 N ATOM 1805 CA ARG A 121 47.802 -17.241 17.756 1.00 0.00 C ATOM 1806 C ARG A 121 47.752 -18.467 18.690 1.00 0.00 C ATOM 1807 O ARG A 121 46.694 -19.088 18.817 1.00 0.00 O ATOM 1808 CB ARG A 121 46.917 -17.454 16.507 1.00 0.00 C ATOM 1809 CG ARG A 121 46.682 -16.221 15.644 1.00 0.00 C ATOM 1810 CD ARG A 121 45.768 -15.211 16.324 1.00 0.00 C ATOM 1811 NE ARG A 121 45.320 -14.234 15.327 1.00 0.00 N ATOM 1812 CZ ARG A 121 44.191 -13.551 15.340 1.00 0.00 C ATOM 1813 NH1 ARG A 121 43.287 -13.706 16.258 1.00 0.00 N ATOM 1814 NH2 ARG A 121 43.927 -12.669 14.424 1.00 0.00 N ATOM 0 H ARG A 121 49.322 -15.828 17.547 1.00 0.00 H new ATOM 0 HA ARG A 121 47.410 -16.427 18.366 1.00 0.00 H new ATOM 0 HB2 ARG A 121 47.374 -18.226 15.888 1.00 0.00 H new ATOM 0 HB3 ARG A 121 45.950 -17.837 16.831 1.00 0.00 H new ATOM 0 HG2 ARG A 121 47.638 -15.749 15.419 1.00 0.00 H new ATOM 0 HG3 ARG A 121 46.244 -16.523 14.693 1.00 0.00 H new ATOM 0 HD2 ARG A 121 44.911 -15.717 16.769 1.00 0.00 H new ATOM 0 HD3 ARG A 121 46.297 -14.709 17.134 1.00 0.00 H new ATOM 0 HE ARG A 121 45.947 -14.064 14.541 1.00 0.00 H new ATOM 0 HH11 ARG A 121 43.434 -14.379 17.011 1.00 0.00 H new ATOM 0 HH12 ARG A 121 42.429 -13.155 16.227 1.00 0.00 H new ATOM 0 HH21 ARG A 121 44.598 -12.494 13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 121 43.048 -12.152 14.452 1.00 0.00 H new ATOM 1828 N THR A 122 48.847 -18.836 19.357 1.00 0.00 N ATOM 1829 CA THR A 122 48.858 -19.982 20.289 1.00 0.00 C ATOM 1830 C THR A 122 48.124 -19.695 21.605 1.00 0.00 C ATOM 1831 O THR A 122 47.708 -20.636 22.287 1.00 0.00 O ATOM 1832 CB THR A 122 50.280 -20.468 20.601 1.00 0.00 C ATOM 1833 OG1 THR A 122 51.065 -19.433 21.151 1.00 0.00 O ATOM 1834 CG2 THR A 122 50.989 -20.995 19.352 1.00 0.00 C ATOM 0 H THR A 122 49.745 -18.360 19.273 1.00 0.00 H new ATOM 0 HA THR A 122 48.320 -20.771 19.764 1.00 0.00 H new ATOM 0 HB THR A 122 50.173 -21.277 21.323 1.00 0.00 H new ATOM 0 HG1 THR A 122 51.965 -19.771 21.342 1.00 0.00 H new ATOM 0 HG21 THR A 122 51.992 -21.329 19.617 1.00 0.00 H new ATOM 0 HG22 THR A 122 50.425 -21.832 18.939 1.00 0.00 H new ATOM 0 HG23 THR A 122 51.055 -20.200 18.609 1.00 0.00 H new ATOM 1842 N VAL A 123 47.925 -18.418 21.953 1.00 0.00 N ATOM 1843 CA VAL A 123 47.330 -17.949 23.216 1.00 0.00 C ATOM 1844 C VAL A 123 46.480 -16.679 23.016 1.00 0.00 C ATOM 1845 O VAL A 123 46.383 -16.128 21.918 1.00 0.00 O ATOM 1846 CB VAL A 123 48.429 -17.721 24.286 1.00 0.00 C ATOM 1847 CG1 VAL A 123 49.063 -19.032 24.767 1.00 0.00 C ATOM 1848 CG2 VAL A 123 49.556 -16.796 23.807 1.00 0.00 C ATOM 0 H VAL A 123 48.185 -17.648 21.337 1.00 0.00 H new ATOM 0 HA VAL A 123 46.658 -18.730 23.572 1.00 0.00 H new ATOM 0 HB VAL A 123 47.902 -17.242 25.112 1.00 0.00 H new ATOM 0 HG11 VAL A 123 49.825 -18.814 25.515 1.00 0.00 H new ATOM 0 HG12 VAL A 123 48.295 -19.668 25.206 1.00 0.00 H new ATOM 0 HG13 VAL A 123 49.520 -19.547 23.922 1.00 0.00 H new ATOM 0 HG21 VAL A 123 50.292 -16.678 24.602 1.00 0.00 H new ATOM 0 HG22 VAL A 123 50.036 -17.231 22.930 1.00 0.00 H new ATOM 0 HG23 VAL A 123 49.142 -15.822 23.548 1.00 0.00 H new ATOM 1858 N SER A 124 45.829 -16.220 24.084 1.00 0.00 N ATOM 1859 CA SER A 124 44.965 -15.037 24.159 1.00 0.00 C ATOM 1860 C SER A 124 45.115 -14.360 25.529 1.00 0.00 C ATOM 1861 O SER A 124 45.492 -15.013 26.508 1.00 0.00 O ATOM 1862 CB SER A 124 43.510 -15.474 23.945 1.00 0.00 C ATOM 1863 OG SER A 124 42.666 -14.351 23.773 1.00 0.00 O ATOM 0 H SER A 124 45.894 -16.696 24.984 1.00 0.00 H new ATOM 0 HA SER A 124 45.253 -14.322 23.388 1.00 0.00 H new ATOM 0 HB2 SER A 124 43.445 -16.120 23.070 1.00 0.00 H new ATOM 0 HB3 SER A 124 43.173 -16.060 24.800 1.00 0.00 H new ATOM 0 HG SER A 124 43.198 -13.585 23.474 1.00 0.00 H new ATOM 1869 N TRP A 125 44.853 -13.053 25.610 1.00 0.00 N ATOM 1870 CA TRP A 125 44.835 -12.317 26.883 1.00 0.00 C ATOM 1871 C TRP A 125 43.586 -12.677 27.704 1.00 0.00 C ATOM 1872 O TRP A 125 42.462 -12.557 27.203 1.00 0.00 O ATOM 1873 CB TRP A 125 44.861 -10.804 26.628 1.00 0.00 C ATOM 1874 CG TRP A 125 46.131 -10.192 26.115 1.00 0.00 C ATOM 1875 CD1 TRP A 125 47.223 -10.840 25.645 1.00 0.00 C ATOM 1876 CD2 TRP A 125 46.440 -8.769 26.001 1.00 0.00 C ATOM 1877 NE1 TRP A 125 48.184 -9.924 25.262 1.00 0.00 N ATOM 1878 CE2 TRP A 125 47.747 -8.631 25.444 1.00 0.00 C ATOM 1879 CE3 TRP A 125 45.732 -7.580 26.287 1.00 0.00 C ATOM 1880 CZ2 TRP A 125 48.319 -7.382 25.176 1.00 0.00 C ATOM 1881 CZ3 TRP A 125 46.291 -6.321 25.990 1.00 0.00 C ATOM 1882 CH2 TRP A 125 47.578 -6.222 25.439 1.00 0.00 C ATOM 0 H TRP A 125 44.647 -12.473 24.797 1.00 0.00 H new ATOM 0 HA TRP A 125 45.723 -12.602 27.447 1.00 0.00 H new ATOM 0 HB2 TRP A 125 44.069 -10.573 25.916 1.00 0.00 H new ATOM 0 HB3 TRP A 125 44.605 -10.305 27.562 1.00 0.00 H new ATOM 0 HD1 TRP A 125 47.327 -11.913 25.579 1.00 0.00 H new ATOM 0 HE1 TRP A 125 49.101 -10.174 24.891 1.00 0.00 H new ATOM 0 HE3 TRP A 125 44.752 -7.637 26.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 49.318 -7.313 24.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 45.724 -5.424 26.188 1.00 0.00 H new ATOM 0 HH2 TRP A 125 47.997 -5.252 25.218 1.00 0.00 H new ATOM 1893 N SER A 126 43.778 -13.051 28.972 1.00 0.00 N ATOM 1894 CA SER A 126 42.717 -13.556 29.861 1.00 0.00 C ATOM 1895 C SER A 126 42.910 -13.136 31.330 1.00 0.00 C ATOM 1896 O SER A 126 43.934 -12.563 31.709 1.00 0.00 O ATOM 1897 CB SER A 126 42.631 -15.095 29.778 1.00 0.00 C ATOM 1898 OG SER A 126 42.378 -15.552 28.458 1.00 0.00 O ATOM 0 H SER A 126 44.692 -13.012 29.423 1.00 0.00 H new ATOM 0 HA SER A 126 41.787 -13.107 29.512 1.00 0.00 H new ATOM 0 HB2 SER A 126 43.565 -15.528 30.137 1.00 0.00 H new ATOM 0 HB3 SER A 126 41.840 -15.448 30.440 1.00 0.00 H new ATOM 0 HG SER A 126 42.333 -16.531 28.454 1.00 0.00 H new ATOM 1904 N LEU A 127 41.919 -13.456 32.167 1.00 0.00 N ATOM 1905 CA LEU A 127 41.859 -13.219 33.616 1.00 0.00 C ATOM 1906 C LEU A 127 41.466 -14.507 34.373 1.00 0.00 C ATOM 1907 O LEU A 127 41.137 -15.523 33.755 1.00 0.00 O ATOM 1908 CB LEU A 127 40.855 -12.077 33.882 1.00 0.00 C ATOM 1909 CG LEU A 127 41.280 -10.687 33.371 1.00 0.00 C ATOM 1910 CD1 LEU A 127 40.186 -9.680 33.714 1.00 0.00 C ATOM 1911 CD2 LEU A 127 42.579 -10.184 34.004 1.00 0.00 C ATOM 0 H LEU A 127 41.077 -13.921 31.828 1.00 0.00 H new ATOM 0 HA LEU A 127 42.843 -12.928 33.985 1.00 0.00 H new ATOM 0 HB2 LEU A 127 39.903 -12.339 33.420 1.00 0.00 H new ATOM 0 HB3 LEU A 127 40.681 -12.012 34.956 1.00 0.00 H new ATOM 0 HG LEU A 127 41.439 -10.783 32.297 1.00 0.00 H new ATOM 0 HD11 LEU A 127 40.476 -8.692 33.357 1.00 0.00 H new ATOM 0 HD12 LEU A 127 39.253 -9.979 33.236 1.00 0.00 H new ATOM 0 HD13 LEU A 127 40.046 -9.649 34.795 1.00 0.00 H new ATOM 0 HD21 LEU A 127 42.823 -9.201 33.602 1.00 0.00 H new ATOM 0 HD22 LEU A 127 42.454 -10.113 35.084 1.00 0.00 H new ATOM 0 HD23 LEU A 127 43.387 -10.879 33.777 1.00 0.00 H new ATOM 1923 N ASN A 128 41.487 -14.470 35.711 1.00 0.00 N ATOM 1924 CA ASN A 128 41.271 -15.639 36.582 1.00 0.00 C ATOM 1925 C ASN A 128 40.153 -15.443 37.624 1.00 0.00 C ATOM 1926 O ASN A 128 39.519 -16.420 38.030 1.00 0.00 O ATOM 1927 CB ASN A 128 42.596 -15.990 37.280 1.00 0.00 C ATOM 1928 CG ASN A 128 43.632 -16.585 36.341 1.00 0.00 C ATOM 1929 OD1 ASN A 128 43.398 -17.570 35.654 1.00 0.00 O ATOM 1930 ND2 ASN A 128 44.819 -16.025 36.292 1.00 0.00 N ATOM 0 H ASN A 128 41.658 -13.610 36.232 1.00 0.00 H new ATOM 0 HA ASN A 128 40.937 -16.458 35.945 1.00 0.00 H new ATOM 0 HB2 ASN A 128 43.006 -15.090 37.739 1.00 0.00 H new ATOM 0 HB3 ASN A 128 42.398 -16.697 38.086 1.00 0.00 H new ATOM 0 HD21 ASN A 128 45.540 -16.411 35.683 1.00 0.00 H new ATOM 0 HD22 ASN A 128 45.019 -15.204 36.863 1.00 0.00 H new ATOM 1937 N ASN A 129 39.866 -14.199 38.015 1.00 0.00 N ATOM 1938 CA ASN A 129 38.770 -13.821 38.917 1.00 0.00 C ATOM 1939 C ASN A 129 37.852 -12.742 38.308 1.00 0.00 C ATOM 1940 O ASN A 129 36.764 -12.505 38.834 1.00 0.00 O ATOM 1941 CB ASN A 129 39.357 -13.363 40.264 1.00 0.00 C ATOM 1942 CG ASN A 129 40.065 -14.483 41.007 1.00 0.00 C ATOM 1943 OD1 ASN A 129 39.458 -15.269 41.723 1.00 0.00 O ATOM 1944 ND2 ASN A 129 41.366 -14.593 40.867 1.00 0.00 N ATOM 0 H ASN A 129 40.410 -13.395 37.701 1.00 0.00 H new ATOM 0 HA ASN A 129 38.140 -14.697 39.075 1.00 0.00 H new ATOM 0 HB2 ASN A 129 40.059 -12.547 40.091 1.00 0.00 H new ATOM 0 HB3 ASN A 129 38.556 -12.968 40.889 1.00 0.00 H new ATOM 0 HD21 ASN A 129 41.871 -15.333 41.355 1.00 0.00 H new ATOM 0 HD22 ASN A 129 41.872 -13.938 40.271 1.00 0.00 H new ATOM 1951 N ALA A 130 38.255 -12.136 37.181 1.00 0.00 N ATOM 1952 CA ALA A 130 37.514 -11.091 36.459 1.00 0.00 C ATOM 1953 C ALA A 130 37.068 -9.914 37.363 1.00 0.00 C ATOM 1954 O ALA A 130 35.919 -9.462 37.323 1.00 0.00 O ATOM 1955 CB ALA A 130 36.387 -11.742 35.639 1.00 0.00 C ATOM 0 H ALA A 130 39.140 -12.369 36.730 1.00 0.00 H new ATOM 0 HA ALA A 130 38.187 -10.603 35.754 1.00 0.00 H new ATOM 0 HB1 ALA A 130 35.835 -10.970 35.102 1.00 0.00 H new ATOM 0 HB2 ALA A 130 36.816 -12.445 34.925 1.00 0.00 H new ATOM 0 HB3 ALA A 130 35.710 -12.273 36.308 1.00 0.00 H new ATOM 1961 N THR A 131 37.995 -9.427 38.195 1.00 0.00 N ATOM 1962 CA THR A 131 37.788 -8.354 39.186 1.00 0.00 C ATOM 1963 C THR A 131 38.963 -7.370 39.229 1.00 0.00 C ATOM 1964 O THR A 131 40.066 -7.657 38.758 1.00 0.00 O ATOM 1965 CB THR A 131 37.570 -8.926 40.603 1.00 0.00 C ATOM 1966 OG1 THR A 131 38.509 -9.940 40.902 1.00 0.00 O ATOM 1967 CG2 THR A 131 36.166 -9.502 40.781 1.00 0.00 C ATOM 0 H THR A 131 38.951 -9.781 38.200 1.00 0.00 H new ATOM 0 HA THR A 131 36.893 -7.821 38.865 1.00 0.00 H new ATOM 0 HB THR A 131 37.702 -8.087 41.287 1.00 0.00 H new ATOM 0 HG1 THR A 131 38.346 -10.281 41.806 1.00 0.00 H new ATOM 0 HG21 THR A 131 36.059 -9.893 41.793 1.00 0.00 H new ATOM 0 HG22 THR A 131 35.427 -8.718 40.615 1.00 0.00 H new ATOM 0 HG23 THR A 131 36.009 -10.307 40.063 1.00 0.00 H new ATOM 1975 N ALA A 132 38.717 -6.182 39.791 1.00 0.00 N ATOM 1976 CA ALA A 132 39.708 -5.116 39.925 1.00 0.00 C ATOM 1977 C ALA A 132 40.938 -5.524 40.764 1.00 0.00 C ATOM 1978 O ALA A 132 40.829 -6.268 41.743 1.00 0.00 O ATOM 1979 CB ALA A 132 39.009 -3.902 40.542 1.00 0.00 C ATOM 0 H ALA A 132 37.804 -5.932 40.172 1.00 0.00 H new ATOM 0 HA ALA A 132 40.099 -4.884 38.935 1.00 0.00 H new ATOM 0 HB1 ALA A 132 39.725 -3.088 40.655 1.00 0.00 H new ATOM 0 HB2 ALA A 132 38.195 -3.582 39.892 1.00 0.00 H new ATOM 0 HB3 ALA A 132 38.608 -4.171 41.519 1.00 0.00 H new ATOM 1985 N GLY A 133 42.109 -5.000 40.393 1.00 0.00 N ATOM 1986 CA GLY A 133 43.395 -5.253 41.053 1.00 0.00 C ATOM 1987 C GLY A 133 44.105 -6.536 40.594 1.00 0.00 C ATOM 1988 O GLY A 133 45.263 -6.751 40.956 1.00 0.00 O ATOM 0 H GLY A 133 42.192 -4.366 39.598 1.00 0.00 H new ATOM 0 HA2 GLY A 133 44.054 -4.404 40.874 1.00 0.00 H new ATOM 0 HA3 GLY A 133 43.232 -5.308 42.129 1.00 0.00 H new ATOM 1992 N GLU A 134 43.446 -7.389 39.802 1.00 0.00 N ATOM 1993 CA GLU A 134 44.059 -8.586 39.218 1.00 0.00 C ATOM 1994 C GLU A 134 45.095 -8.224 38.133 1.00 0.00 C ATOM 1995 O GLU A 134 44.859 -7.372 37.271 1.00 0.00 O ATOM 1996 CB GLU A 134 42.955 -9.518 38.683 1.00 0.00 C ATOM 1997 CG GLU A 134 43.518 -10.831 38.120 1.00 0.00 C ATOM 1998 CD GLU A 134 42.491 -11.971 38.177 1.00 0.00 C ATOM 1999 OE1 GLU A 134 41.613 -12.074 37.288 1.00 0.00 O ATOM 2000 OE2 GLU A 134 42.573 -12.803 39.109 1.00 0.00 O ATOM 0 H GLU A 134 42.466 -7.267 39.547 1.00 0.00 H new ATOM 0 HA GLU A 134 44.610 -9.117 39.994 1.00 0.00 H new ATOM 0 HB2 GLU A 134 42.252 -9.742 39.485 1.00 0.00 H new ATOM 0 HB3 GLU A 134 42.395 -9.002 37.903 1.00 0.00 H new ATOM 0 HG2 GLU A 134 43.831 -10.677 37.087 1.00 0.00 H new ATOM 0 HG3 GLU A 134 44.406 -11.115 38.684 1.00 0.00 H new ATOM 2007 N GLU A 135 46.256 -8.882 38.170 1.00 0.00 N ATOM 2008 CA GLU A 135 47.257 -8.808 37.099 1.00 0.00 C ATOM 2009 C GLU A 135 46.773 -9.600 35.871 1.00 0.00 C ATOM 2010 O GLU A 135 46.299 -10.734 35.993 1.00 0.00 O ATOM 2011 CB GLU A 135 48.608 -9.355 37.591 1.00 0.00 C ATOM 2012 CG GLU A 135 49.175 -8.537 38.763 1.00 0.00 C ATOM 2013 CD GLU A 135 50.537 -9.073 39.248 1.00 0.00 C ATOM 2014 OE1 GLU A 135 50.643 -10.279 39.580 1.00 0.00 O ATOM 2015 OE2 GLU A 135 51.506 -8.280 39.341 1.00 0.00 O ATOM 0 H GLU A 135 46.531 -9.484 38.946 1.00 0.00 H new ATOM 0 HA GLU A 135 47.391 -7.765 36.814 1.00 0.00 H new ATOM 0 HB2 GLU A 135 48.487 -10.393 37.900 1.00 0.00 H new ATOM 0 HB3 GLU A 135 49.322 -9.349 36.767 1.00 0.00 H new ATOM 0 HG2 GLU A 135 49.285 -7.497 38.457 1.00 0.00 H new ATOM 0 HG3 GLU A 135 48.466 -8.553 39.590 1.00 0.00 H new ATOM 2022 N VAL A 136 46.887 -9.006 34.681 1.00 0.00 N ATOM 2023 CA VAL A 136 46.468 -9.621 33.409 1.00 0.00 C ATOM 2024 C VAL A 136 47.296 -10.885 33.121 1.00 0.00 C ATOM 2025 O VAL A 136 48.458 -10.981 33.523 1.00 0.00 O ATOM 2026 CB VAL A 136 46.573 -8.597 32.259 1.00 0.00 C ATOM 2027 CG1 VAL A 136 46.030 -9.132 30.925 1.00 0.00 C ATOM 2028 CG2 VAL A 136 45.775 -7.322 32.564 1.00 0.00 C ATOM 0 H VAL A 136 47.278 -8.071 34.567 1.00 0.00 H new ATOM 0 HA VAL A 136 45.424 -9.925 33.490 1.00 0.00 H new ATOM 0 HB VAL A 136 47.640 -8.392 32.173 1.00 0.00 H new ATOM 0 HG11 VAL A 136 46.132 -8.365 30.157 1.00 0.00 H new ATOM 0 HG12 VAL A 136 46.594 -10.017 30.631 1.00 0.00 H new ATOM 0 HG13 VAL A 136 44.978 -9.394 31.039 1.00 0.00 H new ATOM 0 HG21 VAL A 136 45.872 -6.624 31.732 1.00 0.00 H new ATOM 0 HG22 VAL A 136 44.724 -7.575 32.704 1.00 0.00 H new ATOM 0 HG23 VAL A 136 46.161 -6.860 33.472 1.00 0.00 H new ATOM 2038 N SER A 137 46.715 -11.852 32.406 1.00 0.00 N ATOM 2039 CA SER A 137 47.328 -13.154 32.115 1.00 0.00 C ATOM 2040 C SER A 137 47.220 -13.529 30.634 1.00 0.00 C ATOM 2041 O SER A 137 46.489 -12.898 29.869 1.00 0.00 O ATOM 2042 CB SER A 137 46.660 -14.221 32.987 1.00 0.00 C ATOM 2043 OG SER A 137 47.472 -15.381 33.047 1.00 0.00 O ATOM 0 H SER A 137 45.783 -11.751 32.003 1.00 0.00 H new ATOM 0 HA SER A 137 48.392 -13.091 32.344 1.00 0.00 H new ATOM 0 HB2 SER A 137 46.496 -13.830 33.991 1.00 0.00 H new ATOM 0 HB3 SER A 137 45.681 -14.474 32.580 1.00 0.00 H new ATOM 0 HG SER A 137 47.037 -16.056 33.608 1.00 0.00 H new ATOM 2049 N ILE A 138 47.955 -14.562 30.221 1.00 0.00 N ATOM 2050 CA ILE A 138 48.002 -15.089 28.852 1.00 0.00 C ATOM 2051 C ILE A 138 47.933 -16.621 28.899 1.00 0.00 C ATOM 2052 O ILE A 138 48.641 -17.271 29.671 1.00 0.00 O ATOM 2053 CB ILE A 138 49.270 -14.584 28.119 1.00 0.00 C ATOM 2054 CG1 ILE A 138 49.201 -13.059 27.897 1.00 0.00 C ATOM 2055 CG2 ILE A 138 49.438 -15.278 26.759 1.00 0.00 C ATOM 2056 CD1 ILE A 138 50.504 -12.425 27.400 1.00 0.00 C ATOM 0 H ILE A 138 48.561 -15.079 30.858 1.00 0.00 H new ATOM 0 HA ILE A 138 47.145 -14.726 28.285 1.00 0.00 H new ATOM 0 HB ILE A 138 50.126 -14.823 28.750 1.00 0.00 H new ATOM 0 HG12 ILE A 138 48.411 -12.846 27.177 1.00 0.00 H new ATOM 0 HG13 ILE A 138 48.915 -12.582 28.834 1.00 0.00 H new ATOM 0 HG21 ILE A 138 50.336 -14.903 26.268 1.00 0.00 H new ATOM 0 HG22 ILE A 138 49.528 -16.354 26.908 1.00 0.00 H new ATOM 0 HG23 ILE A 138 48.569 -15.070 26.134 1.00 0.00 H new ATOM 0 HD11 ILE A 138 50.361 -11.352 27.272 1.00 0.00 H new ATOM 0 HD12 ILE A 138 51.295 -12.602 28.128 1.00 0.00 H new ATOM 0 HD13 ILE A 138 50.784 -12.870 26.445 1.00 0.00 H new ATOM 2068 N GLY A 139 47.082 -17.204 28.056 1.00 0.00 N ATOM 2069 CA GLY A 139 46.857 -18.651 27.977 1.00 0.00 C ATOM 2070 C GLY A 139 45.818 -19.004 26.914 1.00 0.00 C ATOM 2071 O GLY A 139 45.563 -18.213 26.008 1.00 0.00 O ATOM 0 H GLY A 139 46.516 -16.674 27.393 1.00 0.00 H new ATOM 0 HA2 GLY A 139 47.797 -19.153 27.748 1.00 0.00 H new ATOM 0 HA3 GLY A 139 46.525 -19.021 28.947 1.00 0.00 H new ATOM 2141 N SER A 145 36.093 -14.891 30.462 1.00 0.00 N ATOM 2142 CA SER A 145 37.283 -14.283 31.086 1.00 0.00 C ATOM 2143 C SER A 145 38.466 -14.072 30.124 1.00 0.00 C ATOM 2144 O SER A 145 39.536 -13.647 30.558 1.00 0.00 O ATOM 2145 CB SER A 145 37.708 -15.105 32.312 1.00 0.00 C ATOM 2146 OG SER A 145 38.023 -16.438 31.945 1.00 0.00 O ATOM 0 HA SER A 145 36.988 -13.280 31.395 1.00 0.00 H new ATOM 0 HB2 SER A 145 38.573 -14.640 32.784 1.00 0.00 H new ATOM 0 HB3 SER A 145 36.905 -15.107 33.049 1.00 0.00 H new ATOM 0 HG SER A 145 37.508 -16.689 31.150 1.00 0.00 H new ATOM 2152 N GLY A 146 38.280 -14.327 28.822 1.00 0.00 N ATOM 2153 CA GLY A 146 39.311 -14.242 27.777 1.00 0.00 C ATOM 2154 C GLY A 146 38.809 -13.603 26.477 1.00 0.00 C ATOM 2155 O GLY A 146 39.235 -13.994 25.389 1.00 0.00 O ATOM 0 H GLY A 146 37.372 -14.609 28.453 1.00 0.00 H new ATOM 0 HA2 GLY A 146 40.154 -13.664 28.155 1.00 0.00 H new ATOM 0 HA3 GLY A 146 39.682 -15.244 27.561 1.00 0.00 H new ATOM 2159 N ARG A 147 37.881 -12.639 26.593 1.00 0.00 N ATOM 2160 CA ARG A 147 37.320 -11.819 25.499 1.00 0.00 C ATOM 2161 C ARG A 147 37.210 -10.353 25.929 1.00 0.00 C ATOM 2162 O ARG A 147 37.053 -10.053 27.118 1.00 0.00 O ATOM 2163 CB ARG A 147 35.952 -12.367 25.045 1.00 0.00 C ATOM 2164 CG ARG A 147 36.053 -13.773 24.428 1.00 0.00 C ATOM 2165 CD ARG A 147 34.777 -14.173 23.678 1.00 0.00 C ATOM 2166 NE ARG A 147 33.628 -14.375 24.583 1.00 0.00 N ATOM 2167 CZ ARG A 147 32.349 -14.379 24.255 1.00 0.00 C ATOM 2168 NH1 ARG A 147 31.931 -14.111 23.051 1.00 0.00 N ATOM 2169 NH2 ARG A 147 31.460 -14.657 25.160 1.00 0.00 N ATOM 0 H ARG A 147 37.479 -12.396 27.498 1.00 0.00 H new ATOM 0 HA ARG A 147 37.999 -11.874 24.648 1.00 0.00 H new ATOM 0 HB2 ARG A 147 35.275 -12.397 25.899 1.00 0.00 H new ATOM 0 HB3 ARG A 147 35.515 -11.685 24.316 1.00 0.00 H new ATOM 0 HG2 ARG A 147 36.900 -13.807 23.743 1.00 0.00 H new ATOM 0 HG3 ARG A 147 36.251 -14.500 25.216 1.00 0.00 H new ATOM 0 HD2 ARG A 147 34.530 -13.400 22.950 1.00 0.00 H new ATOM 0 HD3 ARG A 147 34.961 -15.091 23.119 1.00 0.00 H new ATOM 0 HE ARG A 147 33.846 -14.528 25.568 1.00 0.00 H new ATOM 0 HH11 ARG A 147 32.602 -13.886 22.316 1.00 0.00 H new ATOM 0 HH12 ARG A 147 30.933 -14.126 22.843 1.00 0.00 H new ATOM 0 HH21 ARG A 147 31.752 -14.870 26.114 1.00 0.00 H new ATOM 0 HH22 ARG A 147 30.469 -14.663 24.917 1.00 0.00 H new ATOM 2183 N TRP A 148 37.252 -9.439 24.960 1.00 0.00 N ATOM 2184 CA TRP A 148 37.411 -8.000 25.201 1.00 0.00 C ATOM 2185 C TRP A 148 36.465 -7.144 24.339 1.00 0.00 C ATOM 2186 O TRP A 148 35.732 -7.633 23.477 1.00 0.00 O ATOM 2187 CB TRP A 148 38.893 -7.629 24.968 1.00 0.00 C ATOM 2188 CG TRP A 148 39.903 -8.388 25.790 1.00 0.00 C ATOM 2189 CD1 TRP A 148 40.425 -9.597 25.476 1.00 0.00 C ATOM 2190 CD2 TRP A 148 40.521 -8.017 27.066 1.00 0.00 C ATOM 2191 NE1 TRP A 148 41.280 -10.014 26.477 1.00 0.00 N ATOM 2192 CE2 TRP A 148 41.375 -9.082 27.486 1.00 0.00 C ATOM 2193 CE3 TRP A 148 40.445 -6.892 27.917 1.00 0.00 C ATOM 2194 CZ2 TRP A 148 42.092 -9.047 28.693 1.00 0.00 C ATOM 2195 CZ3 TRP A 148 41.174 -6.836 29.123 1.00 0.00 C ATOM 2196 CH2 TRP A 148 41.992 -7.911 29.515 1.00 0.00 C ATOM 0 H TRP A 148 37.176 -9.678 23.971 1.00 0.00 H new ATOM 0 HA TRP A 148 37.133 -7.783 26.232 1.00 0.00 H new ATOM 0 HB2 TRP A 148 39.124 -7.782 23.914 1.00 0.00 H new ATOM 0 HB3 TRP A 148 39.016 -6.565 25.170 1.00 0.00 H new ATOM 0 HD1 TRP A 148 40.205 -10.153 24.576 1.00 0.00 H new ATOM 0 HE1 TRP A 148 41.780 -10.903 26.470 1.00 0.00 H new ATOM 0 HE3 TRP A 148 39.817 -6.059 27.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 148 42.712 -9.882 28.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 148 41.104 -5.960 29.751 1.00 0.00 H new ATOM 0 HH2 TRP A 148 42.541 -7.864 30.444 1.00 0.00 H new ATOM 2207 N VAL A 149 36.491 -5.837 24.585 1.00 0.00 N ATOM 2208 CA VAL A 149 35.814 -4.778 23.828 1.00 0.00 C ATOM 2209 C VAL A 149 36.762 -3.578 23.774 1.00 0.00 C ATOM 2210 O VAL A 149 37.498 -3.311 24.729 1.00 0.00 O ATOM 2211 CB VAL A 149 34.476 -4.375 24.486 1.00 0.00 C ATOM 2212 CG1 VAL A 149 33.709 -3.360 23.626 1.00 0.00 C ATOM 2213 CG2 VAL A 149 33.539 -5.571 24.699 1.00 0.00 C ATOM 0 H VAL A 149 37.020 -5.460 25.371 1.00 0.00 H new ATOM 0 HA VAL A 149 35.577 -5.135 22.826 1.00 0.00 H new ATOM 0 HB VAL A 149 34.753 -3.944 25.448 1.00 0.00 H new ATOM 0 HG11 VAL A 149 32.773 -3.099 24.119 1.00 0.00 H new ATOM 0 HG12 VAL A 149 34.314 -2.462 23.497 1.00 0.00 H new ATOM 0 HG13 VAL A 149 33.495 -3.797 22.651 1.00 0.00 H new ATOM 0 HG21 VAL A 149 32.614 -5.230 25.164 1.00 0.00 H new ATOM 0 HG22 VAL A 149 33.313 -6.032 23.737 1.00 0.00 H new ATOM 0 HG23 VAL A 149 34.023 -6.302 25.347 1.00 0.00 H new ATOM 2223 N ILE A 150 36.758 -2.867 22.646 1.00 0.00 N ATOM 2224 CA ILE A 150 37.639 -1.725 22.377 1.00 0.00 C ATOM 2225 C ILE A 150 36.801 -0.566 21.830 1.00 0.00 C ATOM 2226 O ILE A 150 35.886 -0.766 21.028 1.00 0.00 O ATOM 2227 CB ILE A 150 38.787 -2.116 21.412 1.00 0.00 C ATOM 2228 CG1 ILE A 150 39.544 -3.362 21.929 1.00 0.00 C ATOM 2229 CG2 ILE A 150 39.757 -0.931 21.229 1.00 0.00 C ATOM 2230 CD1 ILE A 150 40.687 -3.817 21.022 1.00 0.00 C ATOM 0 H ILE A 150 36.126 -3.073 21.872 1.00 0.00 H new ATOM 0 HA ILE A 150 38.113 -1.406 23.305 1.00 0.00 H new ATOM 0 HB ILE A 150 38.351 -2.364 20.444 1.00 0.00 H new ATOM 0 HG12 ILE A 150 39.944 -3.146 22.920 1.00 0.00 H new ATOM 0 HG13 ILE A 150 38.836 -4.183 22.043 1.00 0.00 H new ATOM 0 HG21 ILE A 150 40.559 -1.219 20.549 1.00 0.00 H new ATOM 0 HG22 ILE A 150 39.217 -0.080 20.814 1.00 0.00 H new ATOM 0 HG23 ILE A 150 40.181 -0.656 22.195 1.00 0.00 H new ATOM 0 HD11 ILE A 150 41.167 -4.695 21.454 1.00 0.00 H new ATOM 0 HD12 ILE A 150 40.293 -4.067 20.037 1.00 0.00 H new ATOM 0 HD13 ILE A 150 41.418 -3.014 20.927 1.00 0.00 H new ATOM 2242 N GLU A 151 37.126 0.649 22.263 1.00 0.00 N ATOM 2243 CA GLU A 151 36.448 1.895 21.867 1.00 0.00 C ATOM 2244 C GLU A 151 37.457 3.042 21.709 1.00 0.00 C ATOM 2245 O GLU A 151 38.459 3.100 22.424 1.00 0.00 O ATOM 2246 CB GLU A 151 35.378 2.303 22.900 1.00 0.00 C ATOM 2247 CG GLU A 151 34.175 1.356 22.973 1.00 0.00 C ATOM 2248 CD GLU A 151 33.103 1.913 23.926 1.00 0.00 C ATOM 2249 OE1 GLU A 151 32.257 2.731 23.490 1.00 0.00 O ATOM 2250 OE2 GLU A 151 33.095 1.525 25.120 1.00 0.00 O ATOM 0 H GLU A 151 37.891 0.806 22.919 1.00 0.00 H new ATOM 0 HA GLU A 151 35.963 1.706 20.910 1.00 0.00 H new ATOM 0 HB2 GLU A 151 35.843 2.357 23.884 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.022 3.305 22.660 1.00 0.00 H new ATOM 0 HG2 GLU A 151 33.750 1.222 21.978 1.00 0.00 H new ATOM 0 HG3 GLU A 151 34.499 0.374 23.316 1.00 0.00 H new ATOM 2257 N LYS A 152 37.195 3.953 20.764 1.00 0.00 N ATOM 2258 CA LYS A 152 38.055 5.104 20.442 1.00 0.00 C ATOM 2259 C LYS A 152 37.758 6.283 21.380 1.00 0.00 C ATOM 2260 O LYS A 152 36.597 6.506 21.738 1.00 0.00 O ATOM 2261 CB LYS A 152 37.834 5.447 18.950 1.00 0.00 C ATOM 2262 CG LYS A 152 38.985 6.222 18.288 1.00 0.00 C ATOM 2263 CD LYS A 152 38.859 7.747 18.397 1.00 0.00 C ATOM 2264 CE LYS A 152 40.192 8.399 18.018 1.00 0.00 C ATOM 2265 NZ LYS A 152 40.249 9.805 18.487 1.00 0.00 N ATOM 0 H LYS A 152 36.356 3.911 20.185 1.00 0.00 H new ATOM 0 HA LYS A 152 39.108 4.866 20.596 1.00 0.00 H new ATOM 0 HB2 LYS A 152 37.675 4.520 18.399 1.00 0.00 H new ATOM 0 HB3 LYS A 152 36.920 6.034 18.858 1.00 0.00 H new ATOM 0 HG2 LYS A 152 39.926 5.913 18.743 1.00 0.00 H new ATOM 0 HG3 LYS A 152 39.035 5.947 17.234 1.00 0.00 H new ATOM 0 HD2 LYS A 152 38.067 8.105 17.739 1.00 0.00 H new ATOM 0 HD3 LYS A 152 38.581 8.028 19.413 1.00 0.00 H new ATOM 0 HE2 LYS A 152 41.015 7.833 18.454 1.00 0.00 H new ATOM 0 HE3 LYS A 152 40.322 8.367 16.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 41.062 10.284 18.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 39.372 10.296 18.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 40.353 9.822 19.522 1.00 0.00 H new ATOM 2279 N VAL A 153 38.791 7.050 21.751 1.00 0.00 N ATOM 2280 CA VAL A 153 38.716 8.214 22.679 1.00 0.00 C ATOM 2281 C VAL A 153 39.426 9.477 22.178 1.00 0.00 C ATOM 2282 O VAL A 153 39.128 10.566 22.716 1.00 0.00 O ATOM 2283 CB VAL A 153 39.197 7.851 24.097 1.00 0.00 C ATOM 2284 CG1 VAL A 153 38.302 6.777 24.721 1.00 0.00 C ATOM 2285 CG2 VAL A 153 40.649 7.365 24.122 1.00 0.00 C ATOM 2286 OXT VAL A 153 40.226 9.400 21.219 1.00 0.00 O ATOM 0 H VAL A 153 39.737 6.882 21.409 1.00 0.00 H new ATOM 0 HA VAL A 153 37.655 8.462 22.716 1.00 0.00 H new ATOM 0 HB VAL A 153 39.137 8.770 24.680 1.00 0.00 H new ATOM 0 HG11 VAL A 153 38.663 6.539 25.721 1.00 0.00 H new ATOM 0 HG12 VAL A 153 37.279 7.147 24.783 1.00 0.00 H new ATOM 0 HG13 VAL A 153 38.326 5.879 24.103 1.00 0.00 H new ATOM 0 HG21 VAL A 153 40.934 7.124 25.146 1.00 0.00 H new ATOM 0 HG22 VAL A 153 40.746 6.476 23.499 1.00 0.00 H new ATOM 0 HG23 VAL A 153 41.302 8.149 23.739 1.00 0.00 H new