USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl 175:sc= -1.56 (180deg=-1.69) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -3.49 (180deg=-3.88!) USER MOD Set 1.3: A 133 TYR OH : rot 30:sc= -0.912 USER MOD Set 2.1: A 85 ASN : amide:sc= -4.71! K(o=-9.6!,f=-0.83) USER MOD Set 2.2: A 87 GLN : amide:sc= -4.57! C(o=-9.6!,f=-5.2!) USER MOD Set 2.3: A 95 ASN : amide:sc= -0.322 K(o=-9.6,f=-3.3!) USER MOD Set 3.1: A 33 SER OG : rot -111:sc= 1.31 USER MOD Set 3.2: A 75 HIS : no HE2:sc= -1.89 X(o=-0.58,f=-0.97!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= 0.25 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.379 X(o=0.38,f=-0.0056) USER MOD Single : A 37 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.607 (180deg=-1.12) USER MOD Single : A 45 THR OG1 : rot -137:sc= 0.0703 USER MOD Single : A 47 SER OG : rot 157:sc= 0.1 USER MOD Single : A 51 MET CE :methyl 153:sc= -0.16 (180deg=-1.09) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.52) USER MOD Single : A 59 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.085) USER MOD Single : A 62 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 63 SER OG : rot -57:sc= 0.909 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.54) USER MOD Single : A 73 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.43) USER MOD Single : A 76 MET CE :methyl -169:sc= -0.0363 (180deg=-0.321) USER MOD Single : A 83 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 91 GLN : amide:sc= -0.733 K(o=-0.73,f=-5.3!) USER MOD Single : A 93 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.6) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.258! (180deg=-0.989!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.6!) USER MOD Single : A 102 TYR OH : rot 8:sc= -2.58! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.021) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 163:sc= 0.0533 (180deg=0.0206) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot -17:sc= 0.627 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.879 15.247 2.119 1.00 1.00 N ATOM 309 CA LEU A 21 130.448 15.265 2.373 1.00 1.00 C ATOM 310 C LEU A 21 130.094 14.260 3.457 1.00 1.00 C ATOM 311 O LEU A 21 130.610 13.142 3.496 1.00 1.00 O ATOM 312 CB LEU A 21 129.677 14.935 1.093 1.00 1.00 C ATOM 313 CG LEU A 21 128.191 15.266 1.282 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.940 16.743 0.962 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.345 14.407 0.342 1.00 1.00 C ATOM 0 HA LEU A 21 130.170 16.264 2.708 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.082 15.504 0.256 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.796 13.880 0.848 1.00 1.00 H new ATOM 0 HG LEU A 21 127.916 15.062 2.317 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.883 16.970 1.098 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.534 17.366 1.630 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.224 16.945 -0.071 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.291 14.646 0.481 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.630 14.608 -0.691 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.510 13.353 0.565 1.00 1.00 H new ATOM 327 N GLN A 22 129.193 14.685 4.326 1.00 1.00 N ATOM 328 CA GLN A 22 128.736 13.841 5.415 1.00 1.00 C ATOM 329 C GLN A 22 127.382 13.237 5.056 1.00 1.00 C ATOM 330 O GLN A 22 126.364 13.930 5.049 1.00 1.00 O ATOM 331 CB GLN A 22 128.624 14.674 6.689 1.00 1.00 C ATOM 332 CG GLN A 22 129.978 15.323 6.977 1.00 1.00 C ATOM 333 CD GLN A 22 129.895 16.179 8.240 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.882 16.834 8.486 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.908 16.206 9.061 1.00 1.00 N ATOM 0 H GLN A 22 128.764 15.610 4.298 1.00 1.00 H new ATOM 0 HA GLN A 22 129.449 13.034 5.582 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.856 15.439 6.573 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.322 14.044 7.526 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.740 14.553 7.100 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.282 15.939 6.131 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.746 15.662 8.855 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.862 16.771 9.909 1.00 1.00 H new ATOM 344 N TRP A 23 127.373 11.937 4.764 1.00 1.00 N ATOM 345 CA TRP A 23 126.129 11.260 4.421 1.00 1.00 C ATOM 346 C TRP A 23 125.345 10.960 5.689 1.00 1.00 C ATOM 347 O TRP A 23 125.898 10.527 6.698 1.00 1.00 O ATOM 348 CB TRP A 23 126.424 9.951 3.685 1.00 1.00 C ATOM 349 CG TRP A 23 127.360 10.214 2.555 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.096 11.021 1.501 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.704 9.692 2.344 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.191 11.025 0.659 1.00 1.00 N ATOM 353 CE2 TRP A 23 129.205 10.224 1.134 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.531 8.821 3.076 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.472 9.906 0.664 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.814 8.497 2.605 1.00 1.00 C ATOM 357 CH2 TRP A 23 131.283 9.039 1.400 1.00 1.00 C ATOM 0 H TRP A 23 128.201 11.341 4.758 1.00 1.00 H new ATOM 0 HA TRP A 23 125.543 11.910 3.771 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.861 9.226 4.372 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.498 9.516 3.310 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.180 11.571 1.344 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.242 11.557 -0.210 1.00 1.00 H new ATOM 0 HE3 TRP A 23 129.178 8.399 4.005 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.828 10.326 -0.265 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.442 7.827 3.174 1.00 1.00 H new ATOM 0 HH2 TRP A 23 132.270 8.787 1.041 1.00 1.00 H new ATOM 368 N GLU A 24 124.042 11.177 5.600 1.00 1.00 N ATOM 369 CA GLU A 24 123.142 10.917 6.709 1.00 1.00 C ATOM 370 C GLU A 24 122.065 9.944 6.257 1.00 1.00 C ATOM 371 O GLU A 24 121.838 9.773 5.059 1.00 1.00 O ATOM 372 CB GLU A 24 122.498 12.216 7.184 1.00 1.00 C ATOM 373 CG GLU A 24 123.566 13.110 7.815 1.00 1.00 C ATOM 374 CD GLU A 24 122.944 14.433 8.249 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.749 14.593 8.060 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.670 15.267 8.765 1.00 1.00 O ATOM 0 H GLU A 24 123.583 11.536 4.763 1.00 1.00 H new ATOM 0 HA GLU A 24 123.705 10.486 7.537 1.00 1.00 H new ATOM 0 HB2 GLU A 24 122.027 12.729 6.346 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.712 12.002 7.909 1.00 1.00 H new ATOM 0 HG2 GLU A 24 124.012 12.608 8.674 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.369 13.292 7.101 1.00 1.00 H new ATOM 383 N SER A 25 121.394 9.314 7.214 1.00 1.00 N ATOM 384 CA SER A 25 120.344 8.378 6.881 1.00 1.00 C ATOM 385 C SER A 25 119.084 9.149 6.547 1.00 1.00 C ATOM 386 O SER A 25 118.919 10.299 6.953 1.00 1.00 O ATOM 387 CB SER A 25 120.092 7.408 8.035 1.00 1.00 C ATOM 388 OG SER A 25 121.131 6.440 8.064 1.00 1.00 O ATOM 0 H SER A 25 121.560 9.436 8.213 1.00 1.00 H new ATOM 0 HA SER A 25 120.650 7.788 6.017 1.00 1.00 H new ATOM 0 HB2 SER A 25 120.056 7.949 8.980 1.00 1.00 H new ATOM 0 HB3 SER A 25 119.126 6.919 7.911 1.00 1.00 H new ATOM 0 HG SER A 25 120.976 5.816 8.803 1.00 1.00 H new ATOM 394 N TYR A 26 118.208 8.518 5.802 1.00 1.00 N ATOM 395 CA TYR A 26 116.973 9.153 5.405 1.00 1.00 C ATOM 396 C TYR A 26 116.183 9.558 6.636 1.00 1.00 C ATOM 397 O TYR A 26 115.626 10.654 6.710 1.00 1.00 O ATOM 398 CB TYR A 26 116.165 8.174 4.568 1.00 1.00 C ATOM 399 CG TYR A 26 114.842 8.784 4.215 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.730 9.584 3.076 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.727 8.535 5.012 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.497 10.143 2.735 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.489 9.089 4.668 1.00 1.00 C ATOM 404 CZ TYR A 26 112.374 9.895 3.527 1.00 1.00 C ATOM 405 OH TYR A 26 111.157 10.445 3.185 1.00 1.00 O ATOM 0 H TYR A 26 118.327 7.565 5.458 1.00 1.00 H new ATOM 0 HA TYR A 26 117.188 10.047 4.819 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.712 7.918 3.661 1.00 1.00 H new ATOM 0 HB3 TYR A 26 116.013 7.247 5.121 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.597 9.770 2.459 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.818 7.916 5.893 1.00 1.00 H new ATOM 0 HE1 TYR A 26 113.412 10.768 1.858 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.622 8.896 5.282 1.00 1.00 H new ATOM 0 HH TYR A 26 110.480 10.174 3.839 1.00 1.00 H new ATOM 415 N ALA A 27 116.154 8.651 7.602 1.00 1.00 N ATOM 416 CA ALA A 27 115.439 8.902 8.838 1.00 1.00 C ATOM 417 C ALA A 27 116.127 9.994 9.623 1.00 1.00 C ATOM 418 O ALA A 27 115.480 10.819 10.269 1.00 1.00 O ATOM 419 CB ALA A 27 115.359 7.630 9.684 1.00 1.00 C ATOM 0 H ALA A 27 116.615 7.742 7.552 1.00 1.00 H new ATOM 0 HA ALA A 27 114.427 9.220 8.589 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.819 7.840 10.607 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.835 6.854 9.126 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.366 7.288 9.923 1.00 1.00 H new ATOM 425 N GLU A 28 117.438 9.990 9.570 1.00 1.00 N ATOM 426 CA GLU A 28 118.222 10.974 10.284 1.00 1.00 C ATOM 427 C GLU A 28 118.044 12.355 9.674 1.00 1.00 C ATOM 428 O GLU A 28 117.953 13.351 10.392 1.00 1.00 O ATOM 429 CB GLU A 28 119.686 10.562 10.247 1.00 1.00 C ATOM 430 CG GLU A 28 119.887 9.363 11.170 1.00 1.00 C ATOM 431 CD GLU A 28 119.784 9.798 12.629 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.994 10.971 12.894 1.00 1.00 O ATOM 433 OE2 GLU A 28 119.514 8.948 13.462 1.00 1.00 O ATOM 0 H GLU A 28 117.987 9.315 9.038 1.00 1.00 H new ATOM 0 HA GLU A 28 117.881 11.022 11.318 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.980 10.307 9.229 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.319 11.391 10.563 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.138 8.601 10.956 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.862 8.912 10.985 1.00 1.00 H new ATOM 440 N ALA A 29 117.986 12.416 8.352 1.00 1.00 N ATOM 441 CA ALA A 29 117.811 13.684 7.667 1.00 1.00 C ATOM 442 C ALA A 29 116.530 14.365 8.087 1.00 1.00 C ATOM 443 O ALA A 29 116.490 15.569 8.330 1.00 1.00 O ATOM 444 CB ALA A 29 117.698 13.435 6.170 1.00 1.00 C ATOM 0 H ALA A 29 118.057 11.606 7.736 1.00 1.00 H new ATOM 0 HA ALA A 29 118.668 14.310 7.917 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.566 14.385 5.652 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.606 12.949 5.812 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.840 12.792 5.972 1.00 1.00 H new ATOM 450 N LEU A 30 115.483 13.579 8.123 1.00 1.00 N ATOM 451 CA LEU A 30 114.178 14.076 8.458 1.00 1.00 C ATOM 452 C LEU A 30 114.118 14.607 9.867 1.00 1.00 C ATOM 453 O LEU A 30 113.518 15.647 10.120 1.00 1.00 O ATOM 454 CB LEU A 30 113.180 12.952 8.270 1.00 1.00 C ATOM 455 CG LEU A 30 112.865 12.841 6.787 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.424 11.423 6.499 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.725 13.795 6.400 1.00 1.00 C ATOM 0 H LEU A 30 115.514 12.580 7.921 1.00 1.00 H new ATOM 0 HA LEU A 30 113.939 14.912 7.801 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.590 12.013 8.643 1.00 1.00 H new ATOM 0 HB3 LEU A 30 112.271 13.151 8.838 1.00 1.00 H new ATOM 0 HG LEU A 30 113.754 13.103 6.213 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.193 11.322 5.439 1.00 1.00 H new ATOM 0 HD12 LEU A 30 113.225 10.732 6.763 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.536 11.191 7.087 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.516 13.699 5.335 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.830 13.543 6.969 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.018 14.821 6.621 1.00 1.00 H new ATOM 469 N GLU A 31 114.731 13.892 10.787 1.00 1.00 N ATOM 470 CA GLU A 31 114.706 14.317 12.148 1.00 1.00 C ATOM 471 C GLU A 31 115.461 15.628 12.276 1.00 1.00 C ATOM 472 O GLU A 31 115.048 16.528 12.995 1.00 1.00 O ATOM 473 CB GLU A 31 115.264 13.212 13.059 1.00 1.00 C ATOM 474 CG GLU A 31 116.610 13.620 13.611 1.00 1.00 C ATOM 475 CD GLU A 31 117.203 12.482 14.435 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.454 11.599 14.817 1.00 1.00 O ATOM 477 OE2 GLU A 31 118.401 12.510 14.668 1.00 1.00 O ATOM 0 H GLU A 31 115.243 13.028 10.610 1.00 1.00 H new ATOM 0 HA GLU A 31 113.681 14.496 12.472 1.00 1.00 H new ATOM 0 HB2 GLU A 31 114.570 13.021 13.878 1.00 1.00 H new ATOM 0 HB3 GLU A 31 115.360 12.282 12.498 1.00 1.00 H new ATOM 0 HG2 GLU A 31 117.284 13.878 12.794 1.00 1.00 H new ATOM 0 HG3 GLU A 31 116.503 14.511 14.230 1.00 1.00 H new ATOM 484 N HIS A 32 116.564 15.732 11.541 1.00 1.00 N ATOM 485 CA HIS A 32 117.356 16.953 11.553 1.00 1.00 C ATOM 486 C HIS A 32 116.604 18.109 10.886 1.00 1.00 C ATOM 487 O HIS A 32 116.574 19.223 11.408 1.00 1.00 O ATOM 488 CB HIS A 32 118.674 16.728 10.812 1.00 1.00 C ATOM 489 CG HIS A 32 119.606 15.925 11.673 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.981 16.341 12.940 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.259 14.738 11.459 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.823 15.417 13.437 1.00 1.00 C ATOM 493 NE2 HIS A 32 121.027 14.420 12.574 1.00 1.00 N ATOM 0 H HIS A 32 116.925 14.994 10.937 1.00 1.00 H new ATOM 0 HA HIS A 32 117.550 17.213 12.594 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.490 16.206 9.873 1.00 1.00 H new ATOM 0 HB3 HIS A 32 119.130 17.686 10.561 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.188 14.141 10.562 1.00 1.00 H new ATOM 0 HE1 HIS A 32 121.278 15.475 14.415 1.00 1.00 H new ATOM 0 HE2 HIS A 32 121.619 13.600 12.704 1.00 1.00 H new ATOM 501 N SER A 33 116.029 17.845 9.711 1.00 1.00 N ATOM 502 CA SER A 33 115.311 18.867 8.953 1.00 1.00 C ATOM 503 C SER A 33 114.082 19.357 9.682 1.00 1.00 C ATOM 504 O SER A 33 113.735 20.534 9.607 1.00 1.00 O ATOM 505 CB SER A 33 114.911 18.314 7.594 1.00 1.00 C ATOM 506 OG SER A 33 116.088 17.991 6.888 1.00 1.00 O ATOM 0 H SER A 33 116.048 16.928 9.264 1.00 1.00 H new ATOM 0 HA SER A 33 115.983 19.716 8.829 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.284 17.430 7.712 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.325 19.049 7.042 1.00 1.00 H new ATOM 0 HG SER A 33 116.202 18.613 6.140 1.00 1.00 H new ATOM 512 N LYS A 34 113.423 18.465 10.397 1.00 1.00 N ATOM 513 CA LYS A 34 112.245 18.854 11.131 1.00 1.00 C ATOM 514 C LYS A 34 112.649 19.904 12.145 1.00 1.00 C ATOM 515 O LYS A 34 111.843 20.732 12.569 1.00 1.00 O ATOM 516 CB LYS A 34 111.608 17.624 11.781 1.00 1.00 C ATOM 517 CG LYS A 34 110.923 16.821 10.669 1.00 1.00 C ATOM 518 CD LYS A 34 110.655 15.379 11.118 1.00 1.00 C ATOM 519 CE LYS A 34 110.235 14.540 9.901 1.00 1.00 C ATOM 520 NZ LYS A 34 108.799 14.790 9.578 1.00 1.00 N ATOM 0 H LYS A 34 113.682 17.482 10.482 1.00 1.00 H new ATOM 0 HA LYS A 34 111.492 19.283 10.471 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.364 17.019 12.281 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.885 17.922 12.540 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.984 17.301 10.395 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.551 16.818 9.778 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.549 14.956 11.575 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.871 15.361 11.875 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.858 14.792 9.043 1.00 1.00 H new ATOM 0 HE3 LYS A 34 110.391 13.481 10.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 108.310 13.882 9.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 108.353 15.312 10.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.732 15.351 8.705 1.00 1.00 H new ATOM 534 N GLN A 35 113.909 19.829 12.554 1.00 1.00 N ATOM 535 CA GLN A 35 114.429 20.750 13.556 1.00 1.00 C ATOM 536 C GLN A 35 115.228 21.869 12.928 1.00 1.00 C ATOM 537 O GLN A 35 115.147 23.019 13.360 1.00 1.00 O ATOM 538 CB GLN A 35 115.321 19.978 14.523 1.00 1.00 C ATOM 539 CG GLN A 35 114.510 18.824 15.080 1.00 1.00 C ATOM 540 CD GLN A 35 115.350 17.967 16.020 1.00 1.00 C ATOM 541 OE1 GLN A 35 115.954 18.478 16.964 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.430 16.682 15.809 1.00 1.00 N ATOM 0 H GLN A 35 114.585 19.146 12.211 1.00 1.00 H new ATOM 0 HA GLN A 35 113.583 21.195 14.081 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.210 19.609 14.011 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.664 20.628 15.328 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.641 19.210 15.613 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.135 18.210 14.261 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.929 16.261 15.026 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.994 16.098 16.427 1.00 1.00 H new ATOM 551 N ASP A 36 116.021 21.534 11.926 1.00 1.00 N ATOM 552 CA ASP A 36 116.867 22.527 11.264 1.00 1.00 C ATOM 553 C ASP A 36 116.228 23.120 10.004 1.00 1.00 C ATOM 554 O ASP A 36 116.635 24.194 9.563 1.00 1.00 O ATOM 555 CB ASP A 36 118.203 21.891 10.890 1.00 1.00 C ATOM 556 CG ASP A 36 119.021 21.602 12.144 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.696 22.155 13.182 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.964 20.836 12.044 1.00 1.00 O ATOM 0 H ASP A 36 116.101 20.589 11.550 1.00 1.00 H new ATOM 0 HA ASP A 36 117.005 23.344 11.973 1.00 1.00 H new ATOM 0 HB2 ASP A 36 118.032 20.967 10.338 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.759 22.557 10.231 1.00 1.00 H new ATOM 563 N HIS A 37 115.221 22.441 9.446 1.00 1.00 N ATOM 564 CA HIS A 37 114.515 22.931 8.256 1.00 1.00 C ATOM 565 C HIS A 37 115.366 22.847 6.994 1.00 1.00 C ATOM 566 O HIS A 37 115.024 23.434 5.967 1.00 1.00 O ATOM 567 CB HIS A 37 114.073 24.381 8.463 1.00 1.00 C ATOM 568 CG HIS A 37 113.526 24.530 9.851 1.00 1.00 C ATOM 569 ND1 HIS A 37 114.330 24.849 10.933 1.00 1.00 N ATOM 570 CD2 HIS A 37 112.261 24.380 10.353 1.00 1.00 C ATOM 571 CE1 HIS A 37 113.547 24.875 12.025 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.273 24.595 11.727 1.00 1.00 N ATOM 0 H HIS A 37 114.875 21.549 9.799 1.00 1.00 H new ATOM 0 HA HIS A 37 113.648 22.285 8.119 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.916 25.056 8.316 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.315 24.652 7.728 1.00 1.00 H new ATOM 0 HD1 HIS A 37 115.333 25.031 10.906 1.00 1.00 H new ATOM 0 HD2 HIS A 37 111.386 24.132 9.770 1.00 1.00 H new ATOM 0 HE1 HIS A 37 113.902 25.095 13.021 1.00 1.00 H new ATOM 580 N LYS A 38 116.480 22.133 7.074 1.00 1.00 N ATOM 581 CA LYS A 38 117.373 22.008 5.935 1.00 1.00 C ATOM 582 C LYS A 38 116.811 21.038 4.871 1.00 1.00 C ATOM 583 O LYS A 38 116.510 19.889 5.195 1.00 1.00 O ATOM 584 CB LYS A 38 118.719 21.471 6.426 1.00 1.00 C ATOM 585 CG LYS A 38 119.737 22.608 6.538 1.00 1.00 C ATOM 586 CD LYS A 38 119.323 23.585 7.645 1.00 1.00 C ATOM 587 CE LYS A 38 119.427 25.022 7.128 1.00 1.00 C ATOM 588 NZ LYS A 38 118.392 25.250 6.079 1.00 1.00 N ATOM 0 H LYS A 38 116.784 21.635 7.911 1.00 1.00 H new ATOM 0 HA LYS A 38 117.482 22.991 5.476 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.594 20.989 7.396 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.088 20.711 5.738 1.00 1.00 H new ATOM 0 HG2 LYS A 38 120.725 22.201 6.753 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.810 23.135 5.587 1.00 1.00 H new ATOM 0 HD2 LYS A 38 118.302 23.376 7.965 1.00 1.00 H new ATOM 0 HD3 LYS A 38 119.964 23.454 8.517 1.00 1.00 H new ATOM 0 HE2 LYS A 38 119.289 25.726 7.949 1.00 1.00 H new ATOM 0 HE3 LYS A 38 120.421 25.201 6.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 118.240 26.272 5.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 118.713 24.839 5.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 117.500 24.799 6.367 1.00 1.00 H new ATOM 602 N PRO A 39 116.689 21.441 3.613 1.00 1.00 N ATOM 603 CA PRO A 39 116.183 20.530 2.535 1.00 1.00 C ATOM 604 C PRO A 39 116.992 19.233 2.445 1.00 1.00 C ATOM 605 O PRO A 39 118.172 19.200 2.798 1.00 1.00 O ATOM 606 CB PRO A 39 116.345 21.334 1.240 1.00 1.00 C ATOM 607 CG PRO A 39 116.471 22.763 1.645 1.00 1.00 C ATOM 608 CD PRO A 39 116.990 22.786 3.082 1.00 1.00 C ATOM 0 HA PRO A 39 115.154 20.228 2.731 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.226 21.008 0.688 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.487 21.191 0.584 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.155 23.291 0.981 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.507 23.268 1.577 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.060 22.993 3.113 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.498 23.562 3.668 1.00 1.00 H new ATOM 616 N ILE A 40 116.336 18.163 1.992 1.00 1.00 N ATOM 617 CA ILE A 40 116.988 16.859 1.879 1.00 1.00 C ATOM 618 C ILE A 40 117.171 16.481 0.406 1.00 1.00 C ATOM 619 O ILE A 40 116.222 16.555 -0.372 1.00 1.00 O ATOM 620 CB ILE A 40 116.137 15.779 2.551 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.358 16.381 3.730 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.059 14.673 3.064 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.500 15.295 4.389 1.00 1.00 C ATOM 0 H ILE A 40 115.359 18.174 1.699 1.00 1.00 H new ATOM 0 HA ILE A 40 117.959 16.926 2.369 1.00 1.00 H new ATOM 0 HB ILE A 40 115.428 15.373 1.829 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.050 16.803 4.458 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.725 17.197 3.382 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.464 13.897 3.545 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.610 14.242 2.228 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.762 15.090 3.785 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.948 15.725 5.225 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.797 14.893 3.659 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.143 14.494 4.752 1.00 1.00 H new ATOM 635 N GLY A 41 118.372 16.038 0.038 1.00 1.00 N ATOM 636 CA GLY A 41 118.635 15.610 -1.331 1.00 1.00 C ATOM 637 C GLY A 41 118.798 14.095 -1.376 1.00 1.00 C ATOM 638 O GLY A 41 119.738 13.549 -0.799 1.00 1.00 O ATOM 0 H GLY A 41 119.173 15.967 0.666 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.816 15.916 -1.981 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.537 16.093 -1.706 1.00 1.00 H new ATOM 642 N LEU A 42 117.903 13.424 -2.103 1.00 1.00 N ATOM 643 CA LEU A 42 117.990 11.982 -2.258 1.00 1.00 C ATOM 644 C LEU A 42 118.692 11.700 -3.572 1.00 1.00 C ATOM 645 O LEU A 42 118.222 12.109 -4.637 1.00 1.00 O ATOM 646 CB LEU A 42 116.611 11.299 -2.319 1.00 1.00 C ATOM 647 CG LEU A 42 115.706 11.680 -1.142 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.485 13.181 -1.061 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.344 11.032 -1.350 1.00 1.00 C ATOM 0 H LEU A 42 117.117 13.857 -2.588 1.00 1.00 H new ATOM 0 HA LEU A 42 118.523 11.589 -1.392 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.118 11.569 -3.253 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.747 10.218 -2.332 1.00 1.00 H new ATOM 0 HG LEU A 42 116.190 11.342 -0.226 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.838 13.408 -0.213 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.444 13.683 -0.931 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.014 13.530 -1.980 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.687 11.293 -0.521 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.910 11.389 -2.284 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.459 9.949 -1.395 1.00 1.00 H new ATOM 661 N PHE A 43 119.825 11.024 -3.491 1.00 1.00 N ATOM 662 CA PHE A 43 120.592 10.717 -4.688 1.00 1.00 C ATOM 663 C PHE A 43 120.234 9.314 -5.178 1.00 1.00 C ATOM 664 O PHE A 43 120.625 8.321 -4.565 1.00 1.00 O ATOM 665 CB PHE A 43 122.086 10.826 -4.357 1.00 1.00 C ATOM 666 CG PHE A 43 122.919 10.802 -5.613 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.789 11.821 -6.562 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.833 9.763 -5.823 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.569 11.800 -7.717 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.612 9.747 -6.979 1.00 1.00 C ATOM 671 CZ PHE A 43 124.480 10.765 -7.927 1.00 1.00 C ATOM 0 H PHE A 43 120.231 10.680 -2.621 1.00 1.00 H new ATOM 0 HA PHE A 43 120.356 11.422 -5.485 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.275 11.749 -3.809 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.379 10.003 -3.706 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.085 12.624 -6.400 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.935 8.975 -5.091 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.468 12.586 -8.450 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.319 8.947 -7.142 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.084 10.750 -8.823 1.00 1.00 H new ATOM 681 N PHE A 44 119.507 9.240 -6.297 1.00 1.00 N ATOM 682 CA PHE A 44 119.102 7.968 -6.901 1.00 1.00 C ATOM 683 C PHE A 44 120.071 7.601 -8.022 1.00 1.00 C ATOM 684 O PHE A 44 120.257 8.382 -8.954 1.00 1.00 O ATOM 685 CB PHE A 44 117.687 8.097 -7.471 1.00 1.00 C ATOM 686 CG PHE A 44 116.668 7.959 -6.366 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.191 6.690 -6.030 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.192 9.093 -5.688 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.241 6.546 -5.016 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.240 8.946 -4.674 1.00 1.00 C ATOM 691 CZ PHE A 44 114.765 7.672 -4.339 1.00 1.00 C ATOM 0 H PHE A 44 119.183 10.060 -6.809 1.00 1.00 H new ATOM 0 HA PHE A 44 119.116 7.188 -6.140 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.572 9.062 -7.964 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.520 7.331 -8.228 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.557 5.820 -6.554 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.560 10.075 -5.949 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.874 5.564 -4.755 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.871 9.815 -4.149 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.030 7.559 -3.556 1.00 1.00 H new ATOM 701 N THR A 45 120.685 6.414 -7.936 1.00 1.00 N ATOM 702 CA THR A 45 121.630 6.013 -8.981 1.00 1.00 C ATOM 703 C THR A 45 121.823 4.501 -9.129 1.00 1.00 C ATOM 704 O THR A 45 121.212 3.696 -8.426 1.00 1.00 O ATOM 705 CB THR A 45 122.990 6.664 -8.704 1.00 1.00 C ATOM 706 OG1 THR A 45 123.339 6.462 -7.340 1.00 1.00 O ATOM 707 CG2 THR A 45 122.919 8.162 -9.000 1.00 1.00 C ATOM 0 H THR A 45 120.551 5.738 -7.184 1.00 1.00 H new ATOM 0 HA THR A 45 121.196 6.354 -9.921 1.00 1.00 H new ATOM 0 HB THR A 45 123.745 6.210 -9.346 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.711 7.290 -6.972 1.00 1.00 H new ATOM 0 HG21 THR A 45 123.889 8.619 -8.801 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.654 8.314 -10.046 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.164 8.623 -8.364 1.00 1.00 H new ATOM 715 N GLY A 46 122.760 4.160 -10.014 1.00 1.00 N ATOM 716 CA GLY A 46 123.183 2.792 -10.273 1.00 1.00 C ATOM 717 C GLY A 46 124.699 2.809 -10.214 1.00 1.00 C ATOM 718 O GLY A 46 125.375 3.057 -11.213 1.00 1.00 O ATOM 0 H GLY A 46 123.255 4.847 -10.582 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.771 2.108 -9.531 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.834 2.453 -11.248 1.00 1.00 H new ATOM 722 N SER A 47 125.211 2.630 -9.010 1.00 1.00 N ATOM 723 CA SER A 47 126.638 2.713 -8.754 1.00 1.00 C ATOM 724 C SER A 47 127.504 1.777 -9.588 1.00 1.00 C ATOM 725 O SER A 47 128.645 2.124 -9.895 1.00 1.00 O ATOM 726 CB SER A 47 126.893 2.445 -7.276 1.00 1.00 C ATOM 727 OG SER A 47 126.422 3.549 -6.511 1.00 1.00 O ATOM 0 H SER A 47 124.651 2.423 -8.183 1.00 1.00 H new ATOM 0 HA SER A 47 126.932 3.721 -9.047 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.386 1.531 -6.967 1.00 1.00 H new ATOM 0 HB3 SER A 47 127.958 2.294 -7.100 1.00 1.00 H new ATOM 0 HG SER A 47 126.239 3.257 -5.594 1.00 1.00 H new ATOM 733 N ASP A 48 127.015 0.581 -9.917 1.00 1.00 N ATOM 734 CA ASP A 48 127.823 -0.379 -10.664 1.00 1.00 C ATOM 735 C ASP A 48 127.455 -0.511 -12.141 1.00 1.00 C ATOM 736 O ASP A 48 128.107 -1.289 -12.841 1.00 1.00 O ATOM 737 CB ASP A 48 127.698 -1.757 -10.008 1.00 1.00 C ATOM 738 CG ASP A 48 128.458 -1.785 -8.684 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.214 -0.861 -8.436 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.271 -2.732 -7.938 1.00 1.00 O ATOM 0 H ASP A 48 126.077 0.258 -9.681 1.00 1.00 H new ATOM 0 HA ASP A 48 128.843 0.004 -10.633 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.647 -1.992 -9.837 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.091 -2.523 -10.677 1.00 1.00 H new ATOM 745 N TRP A 49 126.395 0.155 -12.617 1.00 1.00 N ATOM 746 CA TRP A 49 125.995 -0.045 -14.016 1.00 1.00 C ATOM 747 C TRP A 49 125.743 1.238 -14.802 1.00 1.00 C ATOM 748 O TRP A 49 125.859 1.222 -16.027 1.00 1.00 O ATOM 749 CB TRP A 49 124.741 -0.923 -14.067 1.00 1.00 C ATOM 750 CG TRP A 49 123.758 -0.512 -13.012 1.00 1.00 C ATOM 751 CD1 TRP A 49 123.969 -0.544 -11.670 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.399 -0.028 -13.194 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.826 -0.112 -11.029 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.829 0.217 -11.923 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.613 0.217 -14.331 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.525 0.691 -11.786 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.300 0.695 -14.198 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.757 0.928 -12.927 1.00 1.00 C ATOM 0 H TRP A 49 125.822 0.808 -12.083 1.00 1.00 H new ATOM 0 HA TRP A 49 126.845 -0.527 -14.499 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.278 -0.846 -15.051 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.017 -1.968 -13.925 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.882 -0.856 -11.185 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.730 -0.044 -10.016 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.021 0.037 -15.314 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.112 0.873 -10.805 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.705 0.884 -15.079 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.744 1.291 -12.831 1.00 1.00 H new ATOM 769 N CYS A 50 125.436 2.346 -14.140 1.00 1.00 N ATOM 770 CA CYS A 50 125.222 3.598 -14.858 1.00 1.00 C ATOM 771 C CYS A 50 126.494 4.450 -14.774 1.00 1.00 C ATOM 772 O CYS A 50 127.206 4.404 -13.771 1.00 1.00 O ATOM 773 CB CYS A 50 124.030 4.348 -14.260 1.00 1.00 C ATOM 774 SG CYS A 50 124.448 6.094 -14.133 1.00 1.00 S ATOM 0 H CYS A 50 125.331 2.406 -13.127 1.00 1.00 H new ATOM 0 HA CYS A 50 125.002 3.388 -15.905 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.148 4.216 -14.887 1.00 1.00 H new ATOM 0 HB3 CYS A 50 123.786 3.946 -13.277 1.00 1.00 H new ATOM 779 N MET A 51 126.800 5.195 -15.838 1.00 1.00 N ATOM 780 CA MET A 51 128.015 6.012 -15.860 1.00 1.00 C ATOM 781 C MET A 51 127.727 7.496 -15.655 1.00 1.00 C ATOM 782 O MET A 51 128.524 8.202 -15.043 1.00 1.00 O ATOM 783 CB MET A 51 128.747 5.821 -17.185 1.00 1.00 C ATOM 784 CG MET A 51 130.084 6.567 -17.147 1.00 1.00 C ATOM 785 SD MET A 51 130.968 6.302 -18.705 1.00 1.00 S ATOM 786 CE MET A 51 129.840 7.222 -19.787 1.00 1.00 C ATOM 0 H MET A 51 126.233 5.250 -16.684 1.00 1.00 H new ATOM 0 HA MET A 51 128.637 5.678 -15.030 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.916 4.760 -17.369 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.135 6.193 -18.007 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.914 7.632 -16.990 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.686 6.213 -16.310 1.00 1.00 H new ATOM 0 HE1 MET A 51 130.389 7.597 -20.651 1.00 1.00 H new ATOM 0 HE2 MET A 51 129.040 6.562 -20.124 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.412 8.060 -19.238 1.00 1.00 H new ATOM 796 N TRP A 52 126.593 7.970 -16.150 1.00 1.00 N ATOM 797 CA TRP A 52 126.235 9.373 -15.992 1.00 1.00 C ATOM 798 C TRP A 52 126.160 9.704 -14.507 1.00 1.00 C ATOM 799 O TRP A 52 126.380 10.841 -14.094 1.00 1.00 O ATOM 800 CB TRP A 52 124.885 9.646 -16.664 1.00 1.00 C ATOM 801 CG TRP A 52 125.053 9.660 -18.156 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.835 10.525 -18.839 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.437 8.793 -19.158 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.740 10.247 -20.193 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.889 9.190 -20.440 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.539 7.715 -19.080 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.466 8.541 -21.602 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.111 7.058 -20.246 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.572 7.473 -21.505 1.00 1.00 C ATOM 0 H TRP A 52 125.910 7.410 -16.660 1.00 1.00 H new ATOM 0 HA TRP A 52 126.991 10.000 -16.465 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.164 8.880 -16.377 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.486 10.602 -16.325 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.437 11.307 -18.400 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.239 10.761 -20.919 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.175 7.389 -18.117 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.827 8.863 -22.568 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.423 6.229 -20.173 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.236 6.967 -22.398 1.00 1.00 H new ATOM 820 N CYS A 53 125.856 8.687 -13.715 1.00 1.00 N ATOM 821 CA CYS A 53 125.759 8.858 -12.274 1.00 1.00 C ATOM 822 C CYS A 53 127.135 9.022 -11.679 1.00 1.00 C ATOM 823 O CYS A 53 127.363 9.896 -10.849 1.00 1.00 O ATOM 824 CB CYS A 53 125.088 7.650 -11.636 1.00 1.00 C ATOM 825 SG CYS A 53 125.624 6.166 -12.500 1.00 1.00 S ATOM 0 H CYS A 53 125.673 7.739 -14.044 1.00 1.00 H new ATOM 0 HA CYS A 53 125.162 9.748 -12.078 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.350 7.587 -10.580 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.004 7.748 -11.691 1.00 1.00 H new ATOM 830 N ILE A 54 128.060 8.194 -12.125 1.00 1.00 N ATOM 831 CA ILE A 54 129.412 8.283 -11.632 1.00 1.00 C ATOM 832 C ILE A 54 129.913 9.676 -11.921 1.00 1.00 C ATOM 833 O ILE A 54 130.542 10.310 -11.074 1.00 1.00 O ATOM 834 CB ILE A 54 130.297 7.276 -12.352 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.708 5.875 -12.201 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.702 7.305 -11.758 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.515 4.888 -13.049 1.00 1.00 C ATOM 0 H ILE A 54 127.900 7.463 -12.818 1.00 1.00 H new ATOM 0 HA ILE A 54 129.437 8.071 -10.563 1.00 1.00 H new ATOM 0 HB ILE A 54 130.348 7.536 -13.409 1.00 1.00 H new ATOM 0 HG12 ILE A 54 129.727 5.572 -11.154 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.664 5.872 -12.515 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.331 6.582 -12.277 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.125 8.303 -11.873 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.655 7.051 -10.699 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.095 3.888 -12.942 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.473 5.189 -14.096 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.552 4.884 -12.714 1.00 1.00 H new ATOM 849 N LYS A 55 129.636 10.144 -13.131 1.00 1.00 N ATOM 850 CA LYS A 55 130.071 11.460 -13.533 1.00 1.00 C ATOM 851 C LYS A 55 129.466 12.523 -12.627 1.00 1.00 C ATOM 852 O LYS A 55 130.160 13.440 -12.192 1.00 1.00 O ATOM 853 CB LYS A 55 129.664 11.725 -14.986 1.00 1.00 C ATOM 854 CG LYS A 55 130.373 10.751 -15.936 1.00 1.00 C ATOM 855 CD LYS A 55 131.886 10.995 -15.929 1.00 1.00 C ATOM 856 CE LYS A 55 132.479 10.467 -17.239 1.00 1.00 C ATOM 857 NZ LYS A 55 133.959 10.659 -17.240 1.00 1.00 N ATOM 0 H LYS A 55 129.115 9.630 -13.842 1.00 1.00 H new ATOM 0 HA LYS A 55 131.157 11.506 -13.449 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.584 11.621 -15.091 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.913 12.751 -15.257 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.163 9.724 -15.636 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.984 10.873 -16.947 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.096 12.059 -15.822 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.345 10.492 -15.078 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.241 9.410 -17.356 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.035 10.990 -18.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.355 10.299 -18.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.178 11.672 -17.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.377 10.141 -16.441 1.00 1.00 H new ATOM 871 N MET A 56 128.173 12.404 -12.334 1.00 1.00 N ATOM 872 CA MET A 56 127.524 13.372 -11.475 1.00 1.00 C ATOM 873 C MET A 56 128.158 13.362 -10.089 1.00 1.00 C ATOM 874 O MET A 56 128.405 14.415 -9.500 1.00 1.00 O ATOM 875 CB MET A 56 126.027 13.079 -11.370 1.00 1.00 C ATOM 876 CG MET A 56 125.371 14.151 -10.500 1.00 1.00 C ATOM 877 SD MET A 56 123.573 14.057 -10.658 1.00 1.00 S ATOM 878 CE MET A 56 123.196 15.308 -9.410 1.00 1.00 C ATOM 0 H MET A 56 127.568 11.657 -12.676 1.00 1.00 H new ATOM 0 HA MET A 56 127.655 14.361 -11.914 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.575 13.070 -12.362 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.866 12.092 -10.937 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.661 14.014 -9.458 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.720 15.139 -10.800 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.122 15.491 -9.391 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.522 14.955 -8.431 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.717 16.234 -9.654 1.00 1.00 H new ATOM 888 N GLN A 57 128.420 12.162 -9.571 1.00 1.00 N ATOM 889 CA GLN A 57 129.022 12.036 -8.251 1.00 1.00 C ATOM 890 C GLN A 57 130.429 12.585 -8.249 1.00 1.00 C ATOM 891 O GLN A 57 130.811 13.346 -7.361 1.00 1.00 O ATOM 892 CB GLN A 57 129.126 10.574 -7.820 1.00 1.00 C ATOM 893 CG GLN A 57 127.747 9.979 -7.636 1.00 1.00 C ATOM 894 CD GLN A 57 127.870 8.543 -7.130 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.383 7.677 -7.834 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.427 8.244 -5.938 1.00 1.00 N ATOM 0 H GLN A 57 128.227 11.277 -10.040 1.00 1.00 H new ATOM 0 HA GLN A 57 128.379 12.592 -7.568 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.677 10.006 -8.569 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.687 10.502 -6.888 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.174 10.577 -6.927 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.204 9.997 -8.581 1.00 1.00 H new ATOM 0 HE21 GLN A 57 127.002 8.966 -5.356 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.507 7.289 -5.589 1.00 1.00 H new ATOM 905 N ASP A 58 131.210 12.167 -9.221 1.00 1.00 N ATOM 906 CA ASP A 58 132.603 12.590 -9.274 1.00 1.00 C ATOM 907 C ASP A 58 132.757 14.069 -9.609 1.00 1.00 C ATOM 908 O ASP A 58 133.654 14.730 -9.083 1.00 1.00 O ATOM 909 CB ASP A 58 133.354 11.758 -10.320 1.00 1.00 C ATOM 910 CG ASP A 58 133.843 10.434 -9.725 1.00 1.00 C ATOM 911 OD1 ASP A 58 133.692 10.238 -8.530 1.00 1.00 O ATOM 912 OD2 ASP A 58 134.357 9.626 -10.483 1.00 1.00 O ATOM 0 H ASP A 58 130.917 11.546 -9.975 1.00 1.00 H new ATOM 0 HA ASP A 58 133.022 12.432 -8.280 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.700 11.559 -11.169 1.00 1.00 H new ATOM 0 HB3 ASP A 58 134.204 12.326 -10.699 1.00 1.00 H new ATOM 917 N GLN A 59 131.942 14.584 -10.514 1.00 1.00 N ATOM 918 CA GLN A 59 132.096 15.974 -10.916 1.00 1.00 C ATOM 919 C GLN A 59 131.312 16.976 -10.059 1.00 1.00 C ATOM 920 O GLN A 59 131.702 18.142 -10.010 1.00 1.00 O ATOM 921 CB GLN A 59 131.674 16.137 -12.383 1.00 1.00 C ATOM 922 CG GLN A 59 132.468 15.164 -13.263 1.00 1.00 C ATOM 923 CD GLN A 59 133.957 15.497 -13.215 1.00 1.00 C ATOM 924 OE1 GLN A 59 134.362 16.588 -13.616 1.00 1.00 O ATOM 925 NE2 GLN A 59 134.798 14.618 -12.739 1.00 1.00 N ATOM 0 H GLN A 59 131.186 14.078 -10.975 1.00 1.00 H new ATOM 0 HA GLN A 59 133.151 16.206 -10.773 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.606 15.947 -12.487 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.849 17.162 -12.709 1.00 1.00 H new ATOM 0 HG2 GLN A 59 132.306 14.141 -12.923 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.110 15.218 -14.291 1.00 1.00 H new ATOM 0 HE21 GLN A 59 134.459 13.715 -12.408 1.00 1.00 H new ATOM 0 HE22 GLN A 59 135.794 14.835 -12.699 1.00 1.00 H new ATOM 934 N ILE A 60 130.190 16.568 -9.446 1.00 1.00 N ATOM 935 CA ILE A 60 129.382 17.530 -8.676 1.00 1.00 C ATOM 936 C ILE A 60 129.305 17.217 -7.182 1.00 1.00 C ATOM 937 O ILE A 60 129.630 18.077 -6.366 1.00 1.00 O ATOM 938 CB ILE A 60 127.959 17.563 -9.250 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.023 17.982 -10.717 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.086 18.573 -8.484 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.662 17.745 -11.372 1.00 1.00 C ATOM 0 H ILE A 60 129.830 15.614 -9.464 1.00 1.00 H new ATOM 0 HA ILE A 60 129.878 18.496 -8.770 1.00 1.00 H new ATOM 0 HB ILE A 60 127.520 16.570 -9.153 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.298 19.034 -10.795 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.793 17.412 -11.236 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.082 18.580 -8.907 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.035 18.287 -7.434 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.522 19.568 -8.568 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.705 18.043 -12.419 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.406 16.688 -11.306 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.903 18.335 -10.858 1.00 1.00 H new ATOM 953 N LEU A 61 128.837 16.042 -6.800 1.00 1.00 N ATOM 954 CA LEU A 61 128.693 15.736 -5.379 1.00 1.00 C ATOM 955 C LEU A 61 130.041 15.779 -4.672 1.00 1.00 C ATOM 956 O LEU A 61 130.135 16.241 -3.535 1.00 1.00 O ATOM 957 CB LEU A 61 128.069 14.355 -5.151 1.00 1.00 C ATOM 958 CG LEU A 61 126.589 14.294 -5.604 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.677 14.846 -4.514 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.339 15.106 -6.874 1.00 1.00 C ATOM 0 H LEU A 61 128.554 15.295 -7.435 1.00 1.00 H new ATOM 0 HA LEU A 61 128.031 16.497 -4.966 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.644 13.605 -5.695 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.133 14.100 -4.093 1.00 1.00 H new ATOM 0 HG LEU A 61 126.371 13.245 -5.802 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.640 14.796 -4.847 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.795 14.254 -3.606 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.943 15.883 -4.308 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.288 15.032 -7.152 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.595 16.150 -6.694 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.956 14.715 -7.683 1.00 1.00 H new ATOM 972 N GLN A 62 131.081 15.271 -5.328 1.00 1.00 N ATOM 973 CA GLN A 62 132.405 15.231 -4.725 1.00 1.00 C ATOM 974 C GLN A 62 133.193 16.515 -4.992 1.00 1.00 C ATOM 975 O GLN A 62 134.357 16.620 -4.604 1.00 1.00 O ATOM 976 CB GLN A 62 133.188 14.026 -5.257 1.00 1.00 C ATOM 977 CG GLN A 62 132.513 12.720 -4.812 1.00 1.00 C ATOM 978 CD GLN A 62 132.560 12.588 -3.291 1.00 1.00 C ATOM 979 OE1 GLN A 62 133.640 12.566 -2.701 1.00 1.00 O ATOM 980 NE2 GLN A 62 131.444 12.508 -2.618 1.00 1.00 N ATOM 0 H GLN A 62 131.031 14.884 -6.271 1.00 1.00 H new ATOM 0 HA GLN A 62 132.271 15.138 -3.647 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.238 14.066 -6.345 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.214 14.058 -4.890 1.00 1.00 H new ATOM 0 HG2 GLN A 62 131.478 12.704 -5.153 1.00 1.00 H new ATOM 0 HG3 GLN A 62 133.014 11.869 -5.273 1.00 1.00 H new ATOM 0 HE21 GLN A 62 130.550 12.526 -3.109 1.00 1.00 H new ATOM 0 HE22 GLN A 62 131.466 12.427 -1.601 1.00 1.00 H new ATOM 989 N SER A 63 132.564 17.490 -5.644 1.00 1.00 N ATOM 990 CA SER A 63 133.233 18.757 -5.938 1.00 1.00 C ATOM 991 C SER A 63 133.262 19.658 -4.710 1.00 1.00 C ATOM 992 O SER A 63 132.405 19.551 -3.834 1.00 1.00 O ATOM 993 CB SER A 63 132.512 19.489 -7.069 1.00 1.00 C ATOM 994 OG SER A 63 131.216 19.873 -6.629 1.00 1.00 O ATOM 0 H SER A 63 131.602 17.430 -5.976 1.00 1.00 H new ATOM 0 HA SER A 63 134.256 18.528 -6.238 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.082 20.368 -7.370 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.435 18.844 -7.944 1.00 1.00 H new ATOM 0 HG SER A 63 130.720 19.079 -6.341 1.00 1.00 H new ATOM 1000 N SER A 64 134.270 20.518 -4.630 1.00 1.00 N ATOM 1001 CA SER A 64 134.427 21.396 -3.477 1.00 1.00 C ATOM 1002 C SER A 64 133.227 22.319 -3.277 1.00 1.00 C ATOM 1003 O SER A 64 132.782 22.515 -2.145 1.00 1.00 O ATOM 1004 CB SER A 64 135.694 22.235 -3.646 1.00 1.00 C ATOM 1005 OG SER A 64 135.882 23.034 -2.488 1.00 1.00 O ATOM 0 H SER A 64 134.988 20.626 -5.346 1.00 1.00 H new ATOM 0 HA SER A 64 134.501 20.764 -2.592 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.557 21.586 -3.799 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.610 22.868 -4.530 1.00 1.00 H new ATOM 0 HG SER A 64 136.694 23.573 -2.591 1.00 1.00 H new ATOM 1011 N GLU A 65 132.718 22.914 -4.351 1.00 1.00 N ATOM 1012 CA GLU A 65 131.595 23.835 -4.228 1.00 1.00 C ATOM 1013 C GLU A 65 130.344 23.139 -3.699 1.00 1.00 C ATOM 1014 O GLU A 65 129.660 23.669 -2.824 1.00 1.00 O ATOM 1015 CB GLU A 65 131.285 24.456 -5.591 1.00 1.00 C ATOM 1016 CG GLU A 65 132.497 25.249 -6.093 1.00 1.00 C ATOM 1017 CD GLU A 65 133.492 24.310 -6.771 1.00 1.00 C ATOM 1018 OE1 GLU A 65 133.270 23.111 -6.733 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.463 24.805 -7.321 1.00 1.00 O ATOM 0 H GLU A 65 133.059 22.778 -5.303 1.00 1.00 H new ATOM 0 HA GLU A 65 131.881 24.608 -3.515 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.030 23.674 -6.306 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.418 25.112 -5.512 1.00 1.00 H new ATOM 0 HG2 GLU A 65 132.174 26.018 -6.795 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.978 25.761 -5.259 1.00 1.00 H new ATOM 1026 N PHE A 66 130.048 21.952 -4.215 1.00 1.00 N ATOM 1027 CA PHE A 66 128.878 21.210 -3.764 1.00 1.00 C ATOM 1028 C PHE A 66 129.004 20.825 -2.296 1.00 1.00 C ATOM 1029 O PHE A 66 128.041 20.919 -1.534 1.00 1.00 O ATOM 1030 CB PHE A 66 128.705 19.936 -4.578 1.00 1.00 C ATOM 1031 CG PHE A 66 127.393 19.306 -4.195 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.313 18.468 -3.072 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.246 19.574 -4.947 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.088 17.902 -2.708 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.022 19.004 -4.584 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.942 18.171 -3.463 1.00 1.00 C ATOM 0 H PHE A 66 130.596 21.487 -4.939 1.00 1.00 H new ATOM 0 HA PHE A 66 128.014 21.860 -3.898 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.721 20.161 -5.644 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.528 19.247 -4.385 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.198 18.260 -2.489 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.305 20.222 -5.809 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.026 17.257 -1.844 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.138 19.207 -5.170 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.995 17.736 -3.181 1.00 1.00 H new ATOM 1046 N LYS A 67 130.193 20.374 -1.915 1.00 1.00 N ATOM 1047 CA LYS A 67 130.427 19.957 -0.545 1.00 1.00 C ATOM 1048 C LYS A 67 130.166 21.092 0.413 1.00 1.00 C ATOM 1049 O LYS A 67 129.541 20.903 1.456 1.00 1.00 O ATOM 1050 CB LYS A 67 131.877 19.516 -0.357 1.00 1.00 C ATOM 1051 CG LYS A 67 132.114 18.141 -0.977 1.00 1.00 C ATOM 1052 CD LYS A 67 133.578 17.756 -0.753 1.00 1.00 C ATOM 1053 CE LYS A 67 133.831 16.347 -1.278 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.237 15.954 -0.986 1.00 1.00 N ATOM 0 H LYS A 67 131.001 20.289 -2.532 1.00 1.00 H new ATOM 0 HA LYS A 67 129.749 19.129 -0.340 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.545 20.246 -0.815 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.117 19.486 0.706 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.454 17.402 -0.524 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.886 18.161 -2.043 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.231 18.465 -1.261 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.818 17.806 0.309 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.141 15.644 -0.811 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.647 16.309 -2.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.410 14.993 -1.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.887 16.619 -1.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.397 15.975 0.041 1.00 1.00 H new ATOM 1068 N HIS A 68 130.655 22.270 0.072 1.00 1.00 N ATOM 1069 CA HIS A 68 130.475 23.410 0.932 1.00 1.00 C ATOM 1070 C HIS A 68 129.015 23.814 1.011 1.00 1.00 C ATOM 1071 O HIS A 68 128.495 24.086 2.095 1.00 1.00 O ATOM 1072 CB HIS A 68 131.312 24.585 0.428 1.00 1.00 C ATOM 1073 CG HIS A 68 131.259 25.703 1.436 1.00 1.00 C ATOM 1074 ND1 HIS A 68 130.259 26.663 1.427 1.00 1.00 N ATOM 1075 CD2 HIS A 68 132.074 26.022 2.495 1.00 1.00 C ATOM 1076 CE1 HIS A 68 130.495 27.507 2.449 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.590 27.161 3.132 1.00 1.00 N ATOM 0 H HIS A 68 131.174 22.455 -0.787 1.00 1.00 H new ATOM 0 HA HIS A 68 130.806 23.132 1.933 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.344 24.270 0.271 1.00 1.00 H new ATOM 0 HB3 HIS A 68 130.934 24.929 -0.534 1.00 1.00 H new ATOM 0 HD2 HIS A 68 132.956 25.472 2.789 1.00 1.00 H new ATOM 0 HE1 HIS A 68 129.875 28.359 2.687 1.00 1.00 H new ATOM 0 HE2 HIS A 68 131.986 27.631 3.946 1.00 1.00 H new ATOM 1085 N PHE A 69 128.352 23.871 -0.140 1.00 1.00 N ATOM 1086 CA PHE A 69 126.962 24.261 -0.185 1.00 1.00 C ATOM 1087 C PHE A 69 126.091 23.297 0.603 1.00 1.00 C ATOM 1088 O PHE A 69 125.275 23.716 1.424 1.00 1.00 O ATOM 1089 CB PHE A 69 126.502 24.296 -1.645 1.00 1.00 C ATOM 1090 CG PHE A 69 125.009 24.494 -1.715 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.443 25.702 -1.292 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.191 23.471 -2.212 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.059 25.889 -1.371 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.811 23.660 -2.293 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.244 24.867 -1.873 1.00 1.00 C ATOM 0 H PHE A 69 128.761 23.651 -1.048 1.00 1.00 H new ATOM 0 HA PHE A 69 126.863 25.248 0.267 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.009 25.103 -2.174 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.777 23.366 -2.143 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.074 26.489 -0.905 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.628 22.537 -2.532 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.620 26.820 -1.045 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.180 22.873 -2.680 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.176 25.011 -1.936 1.00 1.00 H new ATOM 1105 N ALA A 70 126.231 22.008 0.312 1.00 1.00 N ATOM 1106 CA ALA A 70 125.413 20.995 0.948 1.00 1.00 C ATOM 1107 C ALA A 70 125.706 20.820 2.431 1.00 1.00 C ATOM 1108 O ALA A 70 124.794 20.567 3.216 1.00 1.00 O ATOM 1109 CB ALA A 70 125.586 19.652 0.238 1.00 1.00 C ATOM 0 H ALA A 70 126.905 21.645 -0.362 1.00 1.00 H new ATOM 0 HA ALA A 70 124.384 21.343 0.864 1.00 1.00 H new ATOM 0 HB1 ALA A 70 124.966 18.900 0.726 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.284 19.750 -0.805 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.631 19.347 0.286 1.00 1.00 H new ATOM 1115 N GLY A 71 126.967 20.941 2.819 1.00 1.00 N ATOM 1116 CA GLY A 71 127.319 20.773 4.215 1.00 1.00 C ATOM 1117 C GLY A 71 126.678 21.862 5.045 1.00 1.00 C ATOM 1118 O GLY A 71 126.257 21.634 6.180 1.00 1.00 O ATOM 0 H GLY A 71 127.748 21.151 2.198 1.00 1.00 H new ATOM 0 HA2 GLY A 71 126.990 19.795 4.566 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.402 20.805 4.332 1.00 1.00 H new ATOM 1122 N VAL A 72 126.625 23.057 4.477 1.00 1.00 N ATOM 1123 CA VAL A 72 126.066 24.202 5.151 1.00 1.00 C ATOM 1124 C VAL A 72 124.541 24.256 5.051 1.00 1.00 C ATOM 1125 O VAL A 72 123.873 24.589 6.032 1.00 1.00 O ATOM 1126 CB VAL A 72 126.657 25.464 4.530 1.00 1.00 C ATOM 1127 CG1 VAL A 72 125.803 26.669 4.902 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.084 25.672 5.044 1.00 1.00 C ATOM 0 H VAL A 72 126.970 23.253 3.537 1.00 1.00 H new ATOM 0 HA VAL A 72 126.316 24.125 6.209 1.00 1.00 H new ATOM 0 HB VAL A 72 126.675 25.354 3.446 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.229 27.568 4.456 1.00 1.00 H new ATOM 0 HG12 VAL A 72 124.789 26.525 4.530 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.780 26.778 5.986 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.503 26.574 4.599 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.068 25.776 6.129 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.698 24.814 4.771 1.00 1.00 H new ATOM 1138 N HIS A 73 123.995 24.032 3.855 1.00 1.00 N ATOM 1139 CA HIS A 73 122.556 24.175 3.638 1.00 1.00 C ATOM 1140 C HIS A 73 121.751 22.887 3.436 1.00 1.00 C ATOM 1141 O HIS A 73 120.531 22.989 3.309 1.00 1.00 O ATOM 1142 CB HIS A 73 122.331 25.063 2.417 1.00 1.00 C ATOM 1143 CG HIS A 73 122.510 26.505 2.806 1.00 1.00 C ATOM 1144 ND1 HIS A 73 123.540 27.287 2.307 1.00 1.00 N ATOM 1145 CD2 HIS A 73 121.791 27.323 3.643 1.00 1.00 C ATOM 1146 CE1 HIS A 73 123.414 28.515 2.842 1.00 1.00 C ATOM 1147 NE2 HIS A 73 122.363 28.591 3.663 1.00 1.00 N ATOM 0 H HIS A 73 124.523 23.753 3.028 1.00 1.00 H new ATOM 0 HA HIS A 73 122.185 24.600 4.571 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.034 24.798 1.627 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.329 24.904 2.018 1.00 1.00 H new ATOM 0 HD2 HIS A 73 120.915 27.027 4.201 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.081 29.338 2.633 1.00 1.00 H new ATOM 0 HE2 HIS A 73 122.047 29.404 4.191 1.00 1.00 H new ATOM 1155 N LEU A 74 122.363 21.698 3.342 1.00 1.00 N ATOM 1156 CA LEU A 74 121.528 20.512 3.074 1.00 1.00 C ATOM 1157 C LEU A 74 121.897 19.248 3.833 1.00 1.00 C ATOM 1158 O LEU A 74 122.999 19.111 4.363 1.00 1.00 O ATOM 1159 CB LEU A 74 121.551 20.174 1.580 1.00 1.00 C ATOM 1160 CG LEU A 74 120.838 21.251 0.756 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.852 22.253 0.207 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.131 20.575 -0.412 1.00 1.00 C ATOM 0 H LEU A 74 123.365 21.531 3.439 1.00 1.00 H new ATOM 0 HA LEU A 74 120.540 20.810 3.427 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.583 20.078 1.242 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.071 19.209 1.415 1.00 1.00 H new ATOM 0 HG LEU A 74 120.123 21.778 1.388 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.333 23.013 -0.377 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.379 22.728 1.035 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.569 21.734 -0.429 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.617 21.327 -1.011 1.00 1.00 H new ATOM 0 HD22 LEU A 74 120.864 20.057 -1.031 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.405 19.856 -0.031 1.00 1.00 H new ATOM 1174 N HIS A 75 120.985 18.285 3.771 1.00 1.00 N ATOM 1175 CA HIS A 75 121.201 16.963 4.331 1.00 1.00 C ATOM 1176 C HIS A 75 121.197 16.018 3.139 1.00 1.00 C ATOM 1177 O HIS A 75 120.258 16.049 2.343 1.00 1.00 O ATOM 1178 CB HIS A 75 120.094 16.586 5.317 1.00 1.00 C ATOM 1179 CG HIS A 75 120.158 17.491 6.517 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.240 17.488 7.386 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.282 18.425 7.011 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.990 18.394 8.347 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.810 18.995 8.167 1.00 1.00 N ATOM 0 H HIS A 75 120.073 18.403 3.329 1.00 1.00 H new ATOM 0 HA HIS A 75 122.135 16.917 4.891 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.120 16.672 4.836 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.207 15.547 5.626 1.00 1.00 H new ATOM 0 HD1 HIS A 75 122.073 16.905 7.309 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.329 18.679 6.571 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.661 18.610 9.165 1.00 1.00 H new ATOM 1191 N MET A 76 122.238 15.211 2.980 1.00 1.00 N ATOM 1192 CA MET A 76 122.302 14.314 1.829 1.00 1.00 C ATOM 1193 C MET A 76 121.970 12.879 2.195 1.00 1.00 C ATOM 1194 O MET A 76 122.423 12.361 3.216 1.00 1.00 O ATOM 1195 CB MET A 76 123.692 14.360 1.197 1.00 1.00 C ATOM 1196 CG MET A 76 123.711 13.449 -0.033 1.00 1.00 C ATOM 1197 SD MET A 76 124.528 14.298 -1.409 1.00 1.00 S ATOM 1198 CE MET A 76 123.120 15.263 -2.018 1.00 1.00 C ATOM 0 H MET A 76 123.034 15.157 3.616 1.00 1.00 H new ATOM 0 HA MET A 76 121.553 14.662 1.117 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.942 15.382 0.912 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.444 14.036 1.917 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.235 12.522 0.197 1.00 1.00 H new ATOM 0 HG3 MET A 76 122.693 13.179 -0.313 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.371 15.704 -2.983 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.254 14.611 -2.132 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.887 16.055 -1.307 1.00 1.00 H new ATOM 1208 N VAL A 77 121.191 12.236 1.327 1.00 1.00 N ATOM 1209 CA VAL A 77 120.818 10.855 1.532 1.00 1.00 C ATOM 1210 C VAL A 77 121.205 10.068 0.288 1.00 1.00 C ATOM 1211 O VAL A 77 120.885 10.470 -0.831 1.00 1.00 O ATOM 1212 CB VAL A 77 119.309 10.749 1.767 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.948 9.300 2.088 1.00 1.00 C ATOM 1214 CG2 VAL A 77 118.907 11.648 2.940 1.00 1.00 C ATOM 0 H VAL A 77 120.811 12.656 0.479 1.00 1.00 H new ATOM 0 HA VAL A 77 121.331 10.454 2.406 1.00 1.00 H new ATOM 0 HB VAL A 77 118.778 11.068 0.870 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.874 9.221 2.256 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.233 8.660 1.252 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.480 8.983 2.985 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.832 11.571 3.106 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.436 11.332 3.839 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.166 12.682 2.711 1.00 1.00 H new ATOM 1224 N GLU A 78 121.903 8.962 0.485 1.00 1.00 N ATOM 1225 CA GLU A 78 122.342 8.144 -0.637 1.00 1.00 C ATOM 1226 C GLU A 78 121.371 7.000 -0.862 1.00 1.00 C ATOM 1227 O GLU A 78 121.054 6.249 0.061 1.00 1.00 O ATOM 1228 CB GLU A 78 123.740 7.585 -0.352 1.00 1.00 C ATOM 1229 CG GLU A 78 124.249 6.814 -1.570 1.00 1.00 C ATOM 1230 CD GLU A 78 125.630 6.236 -1.281 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.240 6.661 -0.314 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.056 5.371 -2.027 1.00 1.00 O ATOM 0 H GLU A 78 122.177 8.611 1.403 1.00 1.00 H new ATOM 0 HA GLU A 78 122.374 8.762 -1.534 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.425 8.399 -0.113 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.709 6.929 0.518 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.555 6.012 -1.819 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.296 7.475 -2.436 1.00 1.00 H new ATOM 1239 N VAL A 79 120.902 6.869 -2.102 1.00 1.00 N ATOM 1240 CA VAL A 79 119.972 5.814 -2.454 1.00 1.00 C ATOM 1241 C VAL A 79 120.453 5.115 -3.726 1.00 1.00 C ATOM 1242 O VAL A 79 120.289 5.626 -4.835 1.00 1.00 O ATOM 1243 CB VAL A 79 118.587 6.422 -2.702 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.504 5.435 -2.265 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.448 7.733 -1.918 1.00 1.00 C ATOM 0 H VAL A 79 121.155 7.484 -2.875 1.00 1.00 H new ATOM 0 HA VAL A 79 119.915 5.091 -1.640 1.00 1.00 H new ATOM 0 HB VAL A 79 118.471 6.630 -3.766 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.521 5.871 -2.443 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.601 4.512 -2.837 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.617 5.217 -1.203 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.462 8.161 -2.097 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.569 7.535 -0.853 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.214 8.436 -2.246 1.00 1.00 H new ATOM 1255 N ASP A 80 121.149 3.994 -3.537 1.00 1.00 N ATOM 1256 CA ASP A 80 121.763 3.296 -4.669 1.00 1.00 C ATOM 1257 C ASP A 80 121.061 2.018 -5.097 1.00 1.00 C ATOM 1258 O ASP A 80 120.521 1.290 -4.262 1.00 1.00 O ATOM 1259 CB ASP A 80 123.211 2.942 -4.320 1.00 1.00 C ATOM 1260 CG ASP A 80 124.078 4.196 -4.303 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.613 5.224 -4.767 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.195 4.109 -3.824 1.00 1.00 O ATOM 0 H ASP A 80 121.301 3.555 -2.629 1.00 1.00 H new ATOM 0 HA ASP A 80 121.688 3.990 -5.506 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.248 2.454 -3.346 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.603 2.231 -5.047 1.00 1.00 H new ATOM 1267 N PHE A 81 121.120 1.715 -6.392 1.00 1.00 N ATOM 1268 CA PHE A 81 120.543 0.483 -6.912 1.00 1.00 C ATOM 1269 C PHE A 81 121.637 -0.260 -7.683 1.00 1.00 C ATOM 1270 O PHE A 81 121.670 -0.234 -8.913 1.00 1.00 O ATOM 1271 CB PHE A 81 119.369 0.806 -7.840 1.00 1.00 C ATOM 1272 CG PHE A 81 118.166 1.164 -7.001 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.022 2.467 -6.505 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.201 0.196 -6.707 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.914 2.799 -5.718 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.090 0.528 -5.922 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.945 1.831 -5.427 1.00 1.00 C ATOM 0 H PHE A 81 121.561 2.306 -7.097 1.00 1.00 H new ATOM 0 HA PHE A 81 120.170 -0.136 -6.096 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.627 1.634 -8.501 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.144 -0.051 -8.475 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.767 3.215 -6.731 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.313 -0.809 -7.086 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.806 3.803 -5.335 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.344 -0.221 -5.698 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.088 2.088 -4.822 1.00 1.00 H new ATOM 1287 N PRO A 82 122.563 -0.876 -6.980 1.00 1.00 N ATOM 1288 CA PRO A 82 123.718 -1.588 -7.600 1.00 1.00 C ATOM 1289 C PRO A 82 123.382 -2.958 -8.179 1.00 1.00 C ATOM 1290 O PRO A 82 122.378 -3.571 -7.816 1.00 1.00 O ATOM 1291 CB PRO A 82 124.715 -1.713 -6.448 1.00 1.00 C ATOM 1292 CG PRO A 82 123.877 -1.778 -5.218 1.00 1.00 C ATOM 1293 CD PRO A 82 122.608 -0.972 -5.507 1.00 1.00 C ATOM 0 HA PRO A 82 124.092 -1.038 -8.463 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.330 -2.606 -6.554 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.393 -0.860 -6.419 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.632 -2.811 -4.971 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.412 -1.364 -4.363 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.722 -1.471 -5.114 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.650 0.015 -5.045 1.00 1.00 H new ATOM 1301 N GLN A 83 124.260 -3.450 -9.047 1.00 1.00 N ATOM 1302 CA GLN A 83 124.075 -4.777 -9.627 1.00 1.00 C ATOM 1303 C GLN A 83 124.375 -5.841 -8.576 1.00 1.00 C ATOM 1304 O GLN A 83 123.642 -6.819 -8.434 1.00 1.00 O ATOM 1305 CB GLN A 83 125.036 -5.002 -10.797 1.00 1.00 C ATOM 1306 CG GLN A 83 124.671 -4.105 -11.975 1.00 1.00 C ATOM 1307 CD GLN A 83 125.641 -4.360 -13.123 1.00 1.00 C ATOM 1308 OE1 GLN A 83 126.832 -4.071 -13.006 1.00 1.00 O ATOM 1309 NE2 GLN A 83 125.201 -4.893 -14.230 1.00 1.00 N ATOM 0 H GLN A 83 125.096 -2.958 -9.362 1.00 1.00 H new ATOM 0 HA GLN A 83 123.045 -4.847 -9.976 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.058 -4.796 -10.479 1.00 1.00 H new ATOM 0 HB3 GLN A 83 125.003 -6.047 -11.105 1.00 1.00 H new ATOM 0 HG2 GLN A 83 123.649 -4.305 -12.296 1.00 1.00 H new ATOM 0 HG3 GLN A 83 124.711 -3.058 -11.676 1.00 1.00 H new ATOM 0 HE21 GLN A 83 124.214 -5.131 -14.324 1.00 1.00 H new ATOM 0 HE22 GLN A 83 125.844 -5.071 -15.001 1.00 1.00 H new ATOM 1318 N LYS A 84 125.436 -5.602 -7.815 1.00 1.00 N ATOM 1319 CA LYS A 84 125.835 -6.483 -6.735 1.00 1.00 C ATOM 1320 C LYS A 84 125.366 -5.855 -5.438 1.00 1.00 C ATOM 1321 O LYS A 84 126.004 -4.960 -4.884 1.00 1.00 O ATOM 1322 CB LYS A 84 127.346 -6.645 -6.716 1.00 1.00 C ATOM 1323 CG LYS A 84 127.740 -7.619 -5.607 1.00 1.00 C ATOM 1324 CD LYS A 84 129.255 -7.782 -5.615 1.00 1.00 C ATOM 1325 CE LYS A 84 129.681 -8.770 -4.524 1.00 1.00 C ATOM 1326 NZ LYS A 84 131.162 -8.943 -4.556 1.00 1.00 N ATOM 0 H LYS A 84 126.042 -4.790 -7.933 1.00 1.00 H new ATOM 0 HA LYS A 84 125.393 -7.471 -6.868 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.695 -7.015 -7.680 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.824 -5.679 -6.553 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.405 -7.245 -4.639 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.255 -8.583 -5.761 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.585 -8.140 -6.590 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.734 -6.817 -5.450 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.369 -8.404 -3.546 1.00 1.00 H new ATOM 0 HE3 LYS A 84 129.189 -9.731 -4.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.449 -9.614 -3.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.449 -9.311 -5.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.622 -8.025 -4.390 1.00 1.00 H new ATOM 1340 N ASN A 85 124.220 -6.322 -5.005 1.00 1.00 N ATOM 1341 CA ASN A 85 123.591 -5.802 -3.796 1.00 1.00 C ATOM 1342 C ASN A 85 124.031 -6.533 -2.532 1.00 1.00 C ATOM 1343 O ASN A 85 123.948 -7.757 -2.418 1.00 1.00 O ATOM 1344 CB ASN A 85 122.071 -5.903 -3.919 1.00 1.00 C ATOM 1345 CG ASN A 85 121.589 -5.064 -5.097 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.614 -5.521 -6.239 1.00 1.00 O ATOM 1347 ND2 ASN A 85 121.150 -3.853 -4.884 1.00 1.00 N ATOM 0 H ASN A 85 123.695 -7.064 -5.468 1.00 1.00 H new ATOM 0 HA ASN A 85 123.908 -4.763 -3.703 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.777 -6.943 -4.058 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.599 -5.559 -2.999 1.00 1.00 H new ATOM 0 HD21 ASN A 85 120.826 -3.283 -5.666 1.00 1.00 H new ATOM 0 HD22 ASN A 85 121.131 -3.477 -3.936 1.00 1.00 H new ATOM 1354 N HIS A 86 124.482 -5.719 -1.589 1.00 1.00 N ATOM 1355 CA HIS A 86 124.927 -6.237 -0.303 1.00 1.00 C ATOM 1356 C HIS A 86 124.298 -5.443 0.835 1.00 1.00 C ATOM 1357 O HIS A 86 124.744 -5.524 1.978 1.00 1.00 O ATOM 1358 CB HIS A 86 126.454 -6.187 -0.212 1.00 1.00 C ATOM 1359 CG HIS A 86 127.019 -7.487 -0.712 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.703 -8.000 -1.961 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.868 -8.398 -0.136 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.349 -9.172 -2.091 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.074 -9.461 -1.008 1.00 1.00 N ATOM 0 H HIS A 86 124.549 -4.706 -1.688 1.00 1.00 H new ATOM 0 HA HIS A 86 124.608 -7.276 -0.215 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.839 -5.357 -0.804 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.764 -6.014 0.819 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.309 -8.304 0.845 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.289 -9.803 -2.965 1.00 1.00 H new ATOM 0 HE2 HIS A 86 128.655 -10.285 -0.853 1.00 1.00 H new ATOM 1371 N GLN A 87 123.244 -4.697 0.518 1.00 1.00 N ATOM 1372 CA GLN A 87 122.538 -3.914 1.526 1.00 1.00 C ATOM 1373 C GLN A 87 121.488 -4.795 2.213 1.00 1.00 C ATOM 1374 O GLN A 87 121.024 -5.776 1.631 1.00 1.00 O ATOM 1375 CB GLN A 87 121.863 -2.703 0.868 1.00 1.00 C ATOM 1376 CG GLN A 87 121.668 -2.969 -0.630 1.00 1.00 C ATOM 1377 CD GLN A 87 120.696 -1.954 -1.230 1.00 1.00 C ATOM 1378 OE1 GLN A 87 120.135 -1.126 -0.509 1.00 1.00 O ATOM 1379 NE2 GLN A 87 120.463 -1.972 -2.515 1.00 1.00 N ATOM 0 H GLN A 87 122.862 -4.618 -0.424 1.00 1.00 H new ATOM 0 HA GLN A 87 123.249 -3.556 2.271 1.00 1.00 H new ATOM 0 HB2 GLN A 87 120.900 -2.510 1.341 1.00 1.00 H new ATOM 0 HB3 GLN A 87 122.473 -1.812 1.012 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.627 -2.911 -1.144 1.00 1.00 H new ATOM 0 HG3 GLN A 87 121.287 -3.979 -0.780 1.00 1.00 H new ATOM 0 HE21 GLN A 87 120.929 -2.658 -3.108 1.00 1.00 H new ATOM 0 HE22 GLN A 87 119.815 -1.300 -2.925 1.00 1.00 H new ATOM 1388 N PRO A 88 121.114 -4.482 3.429 1.00 1.00 N ATOM 1389 CA PRO A 88 120.106 -5.284 4.187 1.00 1.00 C ATOM 1390 C PRO A 88 118.699 -5.149 3.618 1.00 1.00 C ATOM 1391 O PRO A 88 118.383 -4.177 2.929 1.00 1.00 O ATOM 1392 CB PRO A 88 120.180 -4.717 5.604 1.00 1.00 C ATOM 1393 CG PRO A 88 120.683 -3.324 5.440 1.00 1.00 C ATOM 1394 CD PRO A 88 121.600 -3.337 4.217 1.00 1.00 C ATOM 0 HA PRO A 88 120.321 -6.351 4.137 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.202 -4.729 6.085 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.850 -5.307 6.230 1.00 1.00 H new ATOM 0 HG2 PRO A 88 119.857 -2.627 5.299 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.225 -3.000 6.328 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.531 -2.406 3.655 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.645 -3.461 4.501 1.00 1.00 H new ATOM 1402 N GLU A 89 117.870 -6.151 3.875 1.00 1.00 N ATOM 1403 CA GLU A 89 116.508 -6.165 3.356 1.00 1.00 C ATOM 1404 C GLU A 89 115.761 -4.871 3.671 1.00 1.00 C ATOM 1405 O GLU A 89 115.097 -4.313 2.804 1.00 1.00 O ATOM 1406 CB GLU A 89 115.752 -7.341 3.968 1.00 1.00 C ATOM 1407 CG GLU A 89 114.370 -7.471 3.325 1.00 1.00 C ATOM 1408 CD GLU A 89 113.626 -8.648 3.947 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.268 -9.441 4.618 1.00 1.00 O ATOM 1410 OE2 GLU A 89 112.426 -8.737 3.749 1.00 1.00 O ATOM 0 H GLU A 89 118.116 -6.964 4.439 1.00 1.00 H new ATOM 0 HA GLU A 89 116.564 -6.262 2.272 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.317 -8.262 3.823 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.649 -7.197 5.043 1.00 1.00 H new ATOM 0 HG2 GLU A 89 113.803 -6.552 3.469 1.00 1.00 H new ATOM 0 HG3 GLU A 89 114.470 -7.618 2.250 1.00 1.00 H new ATOM 1417 N GLU A 90 115.843 -4.403 4.911 1.00 1.00 N ATOM 1418 CA GLU A 90 115.130 -3.190 5.300 1.00 1.00 C ATOM 1419 C GLU A 90 115.541 -1.993 4.455 1.00 1.00 C ATOM 1420 O GLU A 90 114.704 -1.165 4.094 1.00 1.00 O ATOM 1421 CB GLU A 90 115.403 -2.880 6.774 1.00 1.00 C ATOM 1422 CG GLU A 90 114.722 -3.924 7.660 1.00 1.00 C ATOM 1423 CD GLU A 90 115.185 -3.758 9.101 1.00 1.00 C ATOM 1424 OE1 GLU A 90 116.024 -2.903 9.335 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.704 -4.493 9.948 1.00 1.00 O ATOM 0 H GLU A 90 116.388 -4.837 5.656 1.00 1.00 H new ATOM 0 HA GLU A 90 114.067 -3.369 5.140 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.477 -2.876 6.961 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.033 -1.885 7.020 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.639 -3.814 7.601 1.00 1.00 H new ATOM 0 HG3 GLU A 90 114.960 -4.927 7.305 1.00 1.00 H new ATOM 1432 N GLN A 91 116.824 -1.899 4.140 1.00 1.00 N ATOM 1433 CA GLN A 91 117.310 -0.784 3.337 1.00 1.00 C ATOM 1434 C GLN A 91 116.823 -0.917 1.901 1.00 1.00 C ATOM 1435 O GLN A 91 116.446 0.078 1.283 1.00 1.00 O ATOM 1436 CB GLN A 91 118.839 -0.724 3.376 1.00 1.00 C ATOM 1437 CG GLN A 91 119.319 0.491 2.584 1.00 1.00 C ATOM 1438 CD GLN A 91 120.820 0.672 2.770 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.588 -0.276 2.607 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.286 1.840 3.115 1.00 1.00 N ATOM 0 H GLN A 91 117.539 -2.569 4.422 1.00 1.00 H new ATOM 0 HA GLN A 91 116.916 0.142 3.755 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.185 -0.660 4.408 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.261 -1.637 2.955 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.088 0.361 1.527 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.792 1.385 2.918 1.00 1.00 H new ATOM 0 HE21 GLN A 91 120.648 2.624 3.250 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.289 1.969 3.250 1.00 1.00 H new ATOM 1449 N ARG A 92 116.823 -2.134 1.366 1.00 1.00 N ATOM 1450 CA ARG A 92 116.369 -2.345 -0.004 1.00 1.00 C ATOM 1451 C ARG A 92 114.878 -2.051 -0.127 1.00 1.00 C ATOM 1452 O ARG A 92 114.442 -1.423 -1.094 1.00 1.00 O ATOM 1453 CB ARG A 92 116.639 -3.785 -0.442 1.00 1.00 C ATOM 1454 CG ARG A 92 118.142 -3.991 -0.633 1.00 1.00 C ATOM 1455 CD ARG A 92 118.412 -5.456 -0.985 1.00 1.00 C ATOM 1456 NE ARG A 92 117.803 -5.785 -2.268 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.760 -7.038 -2.715 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.230 -8.011 -1.983 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.235 -7.296 -3.881 1.00 1.00 N ATOM 0 H ARG A 92 117.127 -2.978 1.852 1.00 1.00 H new ATOM 0 HA ARG A 92 116.922 -1.663 -0.650 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.259 -4.480 0.306 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.112 -3.998 -1.372 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.512 -3.341 -1.426 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.676 -3.719 0.277 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.486 -5.636 -1.027 1.00 1.00 H new ATOM 0 HD3 ARG A 92 118.011 -6.105 -0.206 1.00 1.00 H new ATOM 0 HE ARG A 92 117.401 -5.039 -2.835 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.631 -7.812 -1.067 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.196 -8.971 -2.327 1.00 1.00 H new ATOM 0 HH21 ARG A 92 116.858 -6.538 -4.450 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.202 -8.256 -4.224 1.00 1.00 H new ATOM 1473 N GLN A 93 114.088 -2.499 0.849 1.00 1.00 N ATOM 1474 CA GLN A 93 112.651 -2.260 0.806 1.00 1.00 C ATOM 1475 C GLN A 93 112.377 -0.769 0.857 1.00 1.00 C ATOM 1476 O GLN A 93 111.559 -0.254 0.100 1.00 1.00 O ATOM 1477 CB GLN A 93 111.959 -2.940 1.989 1.00 1.00 C ATOM 1478 CG GLN A 93 112.073 -4.457 1.848 1.00 1.00 C ATOM 1479 CD GLN A 93 111.274 -4.939 0.637 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.137 -4.515 0.430 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.804 -5.811 -0.179 1.00 1.00 N ATOM 0 H GLN A 93 114.414 -3.020 1.664 1.00 1.00 H new ATOM 0 HA GLN A 93 112.259 -2.676 -0.122 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.415 -2.617 2.925 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.910 -2.646 2.027 1.00 1.00 H new ATOM 0 HG2 GLN A 93 113.120 -4.741 1.738 1.00 1.00 H new ATOM 0 HG3 GLN A 93 111.704 -4.942 2.752 1.00 1.00 H new ATOM 0 HE21 GLN A 93 112.746 -6.163 -0.008 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.276 -6.140 -0.987 1.00 1.00 H new ATOM 1490 N LYS A 94 113.068 -0.082 1.759 1.00 1.00 N ATOM 1491 CA LYS A 94 112.895 1.350 1.915 1.00 1.00 C ATOM 1492 C LYS A 94 113.273 2.078 0.628 1.00 1.00 C ATOM 1493 O LYS A 94 112.569 2.985 0.184 1.00 1.00 O ATOM 1494 CB LYS A 94 113.787 1.837 3.058 1.00 1.00 C ATOM 1495 CG LYS A 94 113.487 3.302 3.359 1.00 1.00 C ATOM 1496 CD LYS A 94 114.745 4.142 3.151 1.00 1.00 C ATOM 1497 CE LYS A 94 114.373 5.620 3.226 1.00 1.00 C ATOM 1498 NZ LYS A 94 113.737 5.910 4.542 1.00 1.00 N ATOM 0 H LYS A 94 113.752 -0.497 2.392 1.00 1.00 H new ATOM 0 HA LYS A 94 111.849 1.561 2.139 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.617 1.231 3.948 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.836 1.719 2.788 1.00 1.00 H new ATOM 0 HG2 LYS A 94 112.688 3.660 2.709 1.00 1.00 H new ATOM 0 HG3 LYS A 94 113.134 3.407 4.385 1.00 1.00 H new ATOM 0 HD2 LYS A 94 115.488 3.902 3.911 1.00 1.00 H new ATOM 0 HD3 LYS A 94 115.194 3.915 2.184 1.00 1.00 H new ATOM 0 HE2 LYS A 94 115.263 6.236 3.097 1.00 1.00 H new ATOM 0 HE3 LYS A 94 113.689 5.875 2.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 113.837 6.922 4.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 112.728 5.662 4.502 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 114.202 5.349 5.284 1.00 1.00 H new ATOM 1512 N ASN A 95 114.401 1.678 0.043 1.00 1.00 N ATOM 1513 CA ASN A 95 114.880 2.306 -1.183 1.00 1.00 C ATOM 1514 C ASN A 95 113.862 2.146 -2.312 1.00 1.00 C ATOM 1515 O ASN A 95 113.630 3.087 -3.070 1.00 1.00 O ATOM 1516 CB ASN A 95 116.203 1.668 -1.607 1.00 1.00 C ATOM 1517 CG ASN A 95 117.336 2.158 -0.712 1.00 1.00 C ATOM 1518 OD1 ASN A 95 117.171 3.126 0.031 1.00 1.00 O ATOM 1519 ND2 ASN A 95 118.491 1.547 -0.748 1.00 1.00 N ATOM 0 H ASN A 95 114.995 0.928 0.396 1.00 1.00 H new ATOM 0 HA ASN A 95 115.024 3.369 -0.987 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.127 0.582 -1.548 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.418 1.916 -2.646 1.00 1.00 H new ATOM 0 HD21 ASN A 95 119.258 1.872 -0.160 1.00 1.00 H new ATOM 0 HD22 ASN A 95 118.625 0.745 -1.364 1.00 1.00 H new ATOM 1526 N GLN A 96 113.250 0.972 -2.428 1.00 1.00 N ATOM 1527 CA GLN A 96 112.264 0.757 -3.479 1.00 1.00 C ATOM 1528 C GLN A 96 111.052 1.633 -3.229 1.00 1.00 C ATOM 1529 O GLN A 96 110.472 2.188 -4.161 1.00 1.00 O ATOM 1530 CB GLN A 96 111.830 -0.709 -3.533 1.00 1.00 C ATOM 1531 CG GLN A 96 112.974 -1.572 -4.068 1.00 1.00 C ATOM 1532 CD GLN A 96 112.565 -3.039 -4.049 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.417 -3.361 -3.750 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.443 -3.955 -4.354 1.00 1.00 N ATOM 0 H GLN A 96 113.415 0.170 -1.820 1.00 1.00 H new ATOM 0 HA GLN A 96 112.720 1.018 -4.434 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.541 -1.049 -2.538 1.00 1.00 H new ATOM 0 HB3 GLN A 96 110.954 -0.814 -4.173 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.227 -1.268 -5.084 1.00 1.00 H new ATOM 0 HG3 GLN A 96 113.867 -1.426 -3.460 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.395 -3.686 -4.602 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.177 -4.940 -4.345 1.00 1.00 H new ATOM 1543 N GLU A 97 110.676 1.758 -1.963 1.00 1.00 N ATOM 1544 CA GLU A 97 109.526 2.573 -1.604 1.00 1.00 C ATOM 1545 C GLU A 97 109.768 4.029 -1.977 1.00 1.00 C ATOM 1546 O GLU A 97 108.896 4.699 -2.528 1.00 1.00 O ATOM 1547 CB GLU A 97 109.267 2.480 -0.098 1.00 1.00 C ATOM 1548 CG GLU A 97 108.701 1.101 0.257 1.00 1.00 C ATOM 1549 CD GLU A 97 107.289 0.960 -0.296 1.00 1.00 C ATOM 1550 OE1 GLU A 97 106.668 1.980 -0.548 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.848 -0.165 -0.462 1.00 1.00 O ATOM 0 H GLU A 97 111.146 1.310 -1.176 1.00 1.00 H new ATOM 0 HA GLU A 97 108.659 2.201 -2.150 1.00 1.00 H new ATOM 0 HB2 GLU A 97 110.194 2.653 0.449 1.00 1.00 H new ATOM 0 HB3 GLU A 97 108.567 3.258 0.207 1.00 1.00 H new ATOM 0 HG2 GLU A 97 109.341 0.320 -0.153 1.00 1.00 H new ATOM 0 HG3 GLU A 97 108.691 0.970 1.339 1.00 1.00 H new ATOM 1558 N LEU A 98 110.961 4.513 -1.658 1.00 1.00 N ATOM 1559 CA LEU A 98 111.340 5.890 -1.929 1.00 1.00 C ATOM 1560 C LEU A 98 111.397 6.142 -3.438 1.00 1.00 C ATOM 1561 O LEU A 98 110.985 7.199 -3.918 1.00 1.00 O ATOM 1562 CB LEU A 98 112.698 6.144 -1.275 1.00 1.00 C ATOM 1563 CG LEU A 98 112.877 7.625 -0.920 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.877 8.041 0.170 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.299 7.814 -0.392 1.00 1.00 C ATOM 0 H LEU A 98 111.690 3.962 -1.205 1.00 1.00 H new ATOM 0 HA LEU A 98 110.600 6.576 -1.516 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.789 5.538 -0.373 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.494 5.831 -1.951 1.00 1.00 H new ATOM 0 HG LEU A 98 112.702 8.238 -1.804 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.018 9.095 0.410 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.860 7.884 -0.190 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.043 7.440 1.064 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.454 8.861 -0.131 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.444 7.194 0.493 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.014 7.522 -1.161 1.00 1.00 H new ATOM 1577 N LYS A 99 111.918 5.158 -4.170 1.00 1.00 N ATOM 1578 CA LYS A 99 112.039 5.262 -5.619 1.00 1.00 C ATOM 1579 C LYS A 99 110.665 5.463 -6.223 1.00 1.00 C ATOM 1580 O LYS A 99 110.488 6.245 -7.158 1.00 1.00 O ATOM 1581 CB LYS A 99 112.654 3.971 -6.175 1.00 1.00 C ATOM 1582 CG LYS A 99 112.850 4.080 -7.688 1.00 1.00 C ATOM 1583 CD LYS A 99 113.461 2.778 -8.207 1.00 1.00 C ATOM 1584 CE LYS A 99 113.676 2.870 -9.717 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.300 1.605 -10.199 1.00 1.00 N ATOM 0 H LYS A 99 112.262 4.280 -3.781 1.00 1.00 H new ATOM 0 HA LYS A 99 112.678 6.108 -5.871 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.612 3.780 -5.691 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.006 3.125 -5.946 1.00 1.00 H new ATOM 0 HG2 LYS A 99 111.895 4.269 -8.178 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.502 4.922 -7.923 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.410 2.587 -7.707 1.00 1.00 H new ATOM 0 HD3 LYS A 99 112.804 1.940 -7.975 1.00 1.00 H new ATOM 0 HE2 LYS A 99 112.725 3.037 -10.223 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.316 3.719 -9.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.449 1.661 -11.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.214 1.466 -9.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.672 0.804 -9.983 1.00 1.00 H new ATOM 1599 N ALA A 100 109.694 4.763 -5.672 1.00 1.00 N ATOM 1600 CA ALA A 100 108.335 4.876 -6.145 1.00 1.00 C ATOM 1601 C ALA A 100 107.681 6.149 -5.633 1.00 1.00 C ATOM 1602 O ALA A 100 106.878 6.775 -6.326 1.00 1.00 O ATOM 1603 CB ALA A 100 107.529 3.690 -5.660 1.00 1.00 C ATOM 0 H ALA A 100 109.823 4.112 -4.898 1.00 1.00 H new ATOM 0 HA ALA A 100 108.358 4.903 -7.234 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.503 3.777 -6.018 1.00 1.00 H new ATOM 0 HB2 ALA A 100 107.970 2.769 -6.042 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.533 3.669 -4.570 1.00 1.00 H new ATOM 1609 N GLN A 101 107.994 6.495 -4.387 1.00 1.00 N ATOM 1610 CA GLN A 101 107.408 7.649 -3.742 1.00 1.00 C ATOM 1611 C GLN A 101 107.662 8.928 -4.504 1.00 1.00 C ATOM 1612 O GLN A 101 106.741 9.714 -4.736 1.00 1.00 O ATOM 1613 CB GLN A 101 107.979 7.768 -2.335 1.00 1.00 C ATOM 1614 CG GLN A 101 107.258 8.879 -1.590 1.00 1.00 C ATOM 1615 CD GLN A 101 107.714 8.913 -0.137 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.264 7.931 0.363 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.516 9.986 0.575 1.00 1.00 N ATOM 0 H GLN A 101 108.657 5.982 -3.806 1.00 1.00 H new ATOM 0 HA GLN A 101 106.328 7.504 -3.711 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.864 6.824 -1.803 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.047 7.980 -2.381 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.461 9.838 -2.066 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.181 8.721 -1.638 1.00 1.00 H new ATOM 0 HE21 GLN A 101 107.060 10.798 0.158 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.817 10.014 1.549 1.00 1.00 H new ATOM 1626 N TYR A 102 108.914 9.160 -4.867 1.00 1.00 N ATOM 1627 CA TYR A 102 109.257 10.375 -5.566 1.00 1.00 C ATOM 1628 C TYR A 102 109.211 10.180 -7.066 1.00 1.00 C ATOM 1629 O TYR A 102 109.656 11.029 -7.837 1.00 1.00 O ATOM 1630 CB TYR A 102 110.639 10.897 -5.119 1.00 1.00 C ATOM 1631 CG TYR A 102 110.508 11.640 -3.795 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.640 12.742 -3.678 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.228 11.207 -2.670 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.492 13.392 -2.448 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.083 11.869 -1.446 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.212 12.954 -1.332 1.00 1.00 C ATOM 1637 OH TYR A 102 110.057 13.592 -0.114 1.00 1.00 O ATOM 0 H TYR A 102 109.695 8.529 -4.690 1.00 1.00 H new ATOM 0 HA TYR A 102 108.511 11.127 -5.308 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.335 10.065 -5.012 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.050 11.561 -5.880 1.00 1.00 H new ATOM 0 HD1 TYR A 102 109.087 13.086 -4.539 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.895 10.361 -2.750 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.821 14.233 -2.360 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.647 11.539 -0.586 1.00 1.00 H new ATOM 0 HH TYR A 102 109.324 14.240 -0.175 1.00 1.00 H new ATOM 1647 N LYS A 103 108.615 9.056 -7.469 1.00 1.00 N ATOM 1648 CA LYS A 103 108.444 8.743 -8.876 1.00 1.00 C ATOM 1649 C LYS A 103 109.766 8.827 -9.606 1.00 1.00 C ATOM 1650 O LYS A 103 109.877 9.502 -10.629 1.00 1.00 O ATOM 1651 CB LYS A 103 107.460 9.724 -9.510 1.00 1.00 C ATOM 1652 CG LYS A 103 106.084 9.556 -8.865 1.00 1.00 C ATOM 1653 CD LYS A 103 105.112 10.576 -9.468 1.00 1.00 C ATOM 1654 CE LYS A 103 103.729 10.397 -8.839 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.783 11.389 -9.421 1.00 1.00 N ATOM 0 H LYS A 103 108.244 8.350 -6.833 1.00 1.00 H new ATOM 0 HA LYS A 103 108.057 7.727 -8.956 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.813 10.747 -9.377 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.394 9.547 -10.583 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.714 8.544 -9.029 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.156 9.699 -7.787 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.475 11.589 -9.292 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.052 10.443 -10.548 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.366 9.385 -9.017 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.790 10.528 -7.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.844 11.266 -8.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.128 12.351 -9.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.716 11.244 -10.449 1.00 1.00 H new ATOM 1669 N VAL A 104 110.771 8.155 -9.077 1.00 1.00 N ATOM 1670 CA VAL A 104 112.076 8.180 -9.694 1.00 1.00 C ATOM 1671 C VAL A 104 112.186 7.043 -10.708 1.00 1.00 C ATOM 1672 O VAL A 104 111.976 5.878 -10.367 1.00 1.00 O ATOM 1673 CB VAL A 104 113.158 8.066 -8.619 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.537 8.054 -9.271 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.066 9.267 -7.671 1.00 1.00 C ATOM 0 H VAL A 104 110.707 7.591 -8.229 1.00 1.00 H new ATOM 0 HA VAL A 104 112.217 9.124 -10.220 1.00 1.00 H new ATOM 0 HB VAL A 104 113.009 7.141 -8.062 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.303 7.973 -8.500 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.612 7.203 -9.948 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.683 8.978 -9.831 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.837 9.186 -6.905 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.211 10.188 -8.236 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.084 9.282 -7.197 1.00 1.00 H new ATOM 1685 N THR A 105 112.491 7.392 -11.959 1.00 1.00 N ATOM 1686 CA THR A 105 112.596 6.399 -13.019 1.00 1.00 C ATOM 1687 C THR A 105 113.987 6.382 -13.625 1.00 1.00 C ATOM 1688 O THR A 105 114.597 5.324 -13.781 1.00 1.00 O ATOM 1689 CB THR A 105 111.573 6.694 -14.113 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.493 8.096 -14.320 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.204 6.154 -13.697 1.00 1.00 C ATOM 0 H THR A 105 112.668 8.351 -12.258 1.00 1.00 H new ATOM 0 HA THR A 105 112.399 5.421 -12.580 1.00 1.00 H new ATOM 0 HB THR A 105 111.882 6.209 -15.039 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.838 8.286 -15.023 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.476 6.366 -14.480 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.269 5.077 -13.544 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.890 6.634 -12.770 1.00 1.00 H new ATOM 1699 N GLY A 106 114.467 7.563 -13.980 1.00 1.00 N ATOM 1700 CA GLY A 106 115.779 7.691 -14.588 1.00 1.00 C ATOM 1701 C GLY A 106 116.797 8.226 -13.595 1.00 1.00 C ATOM 1702 O GLY A 106 116.463 8.988 -12.687 1.00 1.00 O ATOM 0 H GLY A 106 113.968 8.444 -13.857 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.106 6.720 -14.960 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.720 8.359 -15.448 1.00 1.00 H new ATOM 1706 N PHE A 107 118.038 7.822 -13.793 1.00 1.00 N ATOM 1707 CA PHE A 107 119.133 8.254 -12.938 1.00 1.00 C ATOM 1708 C PHE A 107 120.267 8.804 -13.812 1.00 1.00 C ATOM 1709 O PHE A 107 120.378 8.436 -14.982 1.00 1.00 O ATOM 1710 CB PHE A 107 119.618 7.070 -12.097 1.00 1.00 C ATOM 1711 CG PHE A 107 118.880 5.827 -12.537 1.00 1.00 C ATOM 1712 CD1 PHE A 107 117.654 5.491 -11.945 1.00 1.00 C ATOM 1713 CD2 PHE A 107 119.420 5.013 -13.539 1.00 1.00 C ATOM 1714 CE1 PHE A 107 116.970 4.338 -12.357 1.00 1.00 C ATOM 1715 CE2 PHE A 107 118.737 3.862 -13.954 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.513 3.525 -13.362 1.00 1.00 C ATOM 0 H PHE A 107 118.316 7.190 -14.544 1.00 1.00 H new ATOM 0 HA PHE A 107 118.797 9.042 -12.264 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.693 6.935 -12.220 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.440 7.260 -11.039 1.00 1.00 H new ATOM 0 HD1 PHE A 107 117.237 6.120 -11.172 1.00 1.00 H new ATOM 0 HD2 PHE A 107 120.365 5.272 -13.993 1.00 1.00 H new ATOM 0 HE1 PHE A 107 116.027 4.077 -11.901 1.00 1.00 H new ATOM 0 HE2 PHE A 107 119.154 3.236 -14.729 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.987 2.637 -13.680 1.00 1.00 H new ATOM 1726 N PRO A 108 121.093 9.678 -13.292 1.00 1.00 N ATOM 1727 CA PRO A 108 121.012 10.163 -11.886 1.00 1.00 C ATOM 1728 C PRO A 108 119.935 11.212 -11.687 1.00 1.00 C ATOM 1729 O PRO A 108 119.701 12.051 -12.556 1.00 1.00 O ATOM 1730 CB PRO A 108 122.387 10.768 -11.649 1.00 1.00 C ATOM 1731 CG PRO A 108 122.788 11.292 -12.988 1.00 1.00 C ATOM 1732 CD PRO A 108 122.207 10.318 -14.014 1.00 1.00 C ATOM 0 HA PRO A 108 120.751 9.361 -11.196 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.350 11.563 -10.904 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.094 10.022 -11.284 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.402 12.299 -13.144 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.873 11.349 -13.075 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.860 10.837 -14.908 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.948 9.587 -14.337 1.00 1.00 H new ATOM 1740 N GLU A 109 119.282 11.157 -10.538 1.00 1.00 N ATOM 1741 CA GLU A 109 118.232 12.104 -10.232 1.00 1.00 C ATOM 1742 C GLU A 109 118.373 12.570 -8.792 1.00 1.00 C ATOM 1743 O GLU A 109 118.406 11.754 -7.870 1.00 1.00 O ATOM 1744 CB GLU A 109 116.873 11.430 -10.432 1.00 1.00 C ATOM 1745 CG GLU A 109 115.748 12.441 -10.235 1.00 1.00 C ATOM 1746 CD GLU A 109 114.403 11.761 -10.469 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.403 10.662 -10.999 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.395 12.345 -10.110 1.00 1.00 O ATOM 0 H GLU A 109 119.462 10.469 -9.807 1.00 1.00 H new ATOM 0 HA GLU A 109 118.308 12.967 -10.894 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.815 11.002 -11.433 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.760 10.607 -9.726 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.788 12.853 -9.227 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.870 13.275 -10.926 1.00 1.00 H new ATOM 1755 N LEU A 110 118.446 13.878 -8.599 1.00 1.00 N ATOM 1756 CA LEU A 110 118.563 14.452 -7.271 1.00 1.00 C ATOM 1757 C LEU A 110 117.289 15.230 -6.996 1.00 1.00 C ATOM 1758 O LEU A 110 116.919 16.129 -7.752 1.00 1.00 O ATOM 1759 CB LEU A 110 119.793 15.371 -7.221 1.00 1.00 C ATOM 1760 CG LEU A 110 120.538 15.254 -5.875 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.935 15.862 -6.022 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.793 16.010 -4.775 1.00 1.00 C ATOM 0 H LEU A 110 118.426 14.565 -9.353 1.00 1.00 H new ATOM 0 HA LEU A 110 118.692 13.679 -6.513 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.471 15.116 -8.036 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.482 16.404 -7.376 1.00 1.00 H new ATOM 0 HG LEU A 110 120.601 14.200 -5.604 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.468 15.783 -5.074 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.486 15.325 -6.794 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.847 16.912 -6.302 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.336 15.914 -3.835 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.718 17.064 -5.044 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.793 15.593 -4.660 1.00 1.00 H new ATOM 1774 N VAL A 111 116.609 14.845 -5.930 1.00 1.00 N ATOM 1775 CA VAL A 111 115.346 15.469 -5.562 1.00 1.00 C ATOM 1776 C VAL A 111 115.454 16.183 -4.233 1.00 1.00 C ATOM 1777 O VAL A 111 115.923 15.607 -3.253 1.00 1.00 O ATOM 1778 CB VAL A 111 114.254 14.407 -5.472 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.791 14.030 -6.871 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.812 13.180 -4.778 1.00 1.00 C ATOM 0 H VAL A 111 116.910 14.101 -5.301 1.00 1.00 H new ATOM 0 HA VAL A 111 115.096 16.201 -6.330 1.00 1.00 H new ATOM 0 HB VAL A 111 113.408 14.799 -4.907 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.011 13.271 -6.804 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.396 14.913 -7.374 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.633 13.635 -7.439 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.037 12.416 -4.710 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.655 12.791 -5.349 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.145 13.449 -3.776 1.00 1.00 H new ATOM 1790 N PHE A 112 115.022 17.430 -4.196 1.00 1.00 N ATOM 1791 CA PHE A 112 115.082 18.215 -2.974 1.00 1.00 C ATOM 1792 C PHE A 112 113.726 18.240 -2.283 1.00 1.00 C ATOM 1793 O PHE A 112 112.715 18.580 -2.897 1.00 1.00 O ATOM 1794 CB PHE A 112 115.546 19.629 -3.313 1.00 1.00 C ATOM 1795 CG PHE A 112 116.914 19.536 -3.939 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.045 19.356 -5.322 1.00 1.00 C ATOM 1797 CD2 PHE A 112 118.053 19.603 -3.132 1.00 1.00 C ATOM 1798 CE1 PHE A 112 118.314 19.251 -5.897 1.00 1.00 C ATOM 1799 CE2 PHE A 112 119.325 19.494 -3.709 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.454 19.320 -5.091 1.00 1.00 C ATOM 0 H PHE A 112 114.626 17.922 -4.997 1.00 1.00 H new ATOM 0 HA PHE A 112 115.793 17.759 -2.285 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.845 20.105 -3.999 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.580 20.244 -2.414 1.00 1.00 H new ATOM 0 HD1 PHE A 112 116.164 19.298 -5.944 1.00 1.00 H new ATOM 0 HD2 PHE A 112 117.953 19.739 -2.065 1.00 1.00 H new ATOM 0 HE1 PHE A 112 118.414 19.117 -6.964 1.00 1.00 H new ATOM 0 HE2 PHE A 112 120.206 19.544 -3.087 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.435 19.239 -5.536 1.00 1.00 H new ATOM 1810 N ILE A 113 113.716 17.868 -0.999 1.00 1.00 N ATOM 1811 CA ILE A 113 112.486 17.850 -0.214 1.00 1.00 C ATOM 1812 C ILE A 113 112.676 18.557 1.115 1.00 1.00 C ATOM 1813 O ILE A 113 113.783 18.633 1.645 1.00 1.00 O ATOM 1814 CB ILE A 113 111.992 16.413 0.024 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.058 15.612 0.767 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.677 15.747 -1.314 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.511 14.233 1.137 1.00 1.00 C ATOM 0 H ILE A 113 114.547 17.576 -0.485 1.00 1.00 H new ATOM 0 HA ILE A 113 111.730 18.383 -0.790 1.00 1.00 H new ATOM 0 HB ILE A 113 111.086 16.442 0.630 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.945 15.505 0.143 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.364 16.145 1.667 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.327 14.729 -1.140 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.902 16.314 -1.829 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.577 15.722 -1.929 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.278 13.668 1.667 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.637 14.348 1.778 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.228 13.699 0.230 1.00 1.00 H new ATOM 1829 N ASP A 114 111.565 19.018 1.666 1.00 1.00 N ATOM 1830 CA ASP A 114 111.566 19.661 2.957 1.00 1.00 C ATOM 1831 C ASP A 114 111.335 18.572 3.986 1.00 1.00 C ATOM 1832 O ASP A 114 111.250 17.393 3.645 1.00 1.00 O ATOM 1833 CB ASP A 114 110.453 20.713 3.023 1.00 1.00 C ATOM 1834 CG ASP A 114 110.578 21.536 4.299 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.697 21.766 4.724 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.551 21.927 4.831 1.00 1.00 O ATOM 0 H ASP A 114 110.646 18.955 1.229 1.00 1.00 H new ATOM 0 HA ASP A 114 112.510 20.174 3.143 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.510 21.367 2.153 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.479 20.224 2.991 1.00 1.00 H new ATOM 1841 N ALA A 115 111.256 18.952 5.239 1.00 1.00 N ATOM 1842 CA ALA A 115 111.063 17.991 6.316 1.00 1.00 C ATOM 1843 C ALA A 115 109.654 17.390 6.296 1.00 1.00 C ATOM 1844 O ALA A 115 109.392 16.406 6.984 1.00 1.00 O ATOM 1845 CB ALA A 115 111.289 18.685 7.658 1.00 1.00 C ATOM 0 H ALA A 115 111.322 19.923 5.546 1.00 1.00 H new ATOM 0 HA ALA A 115 111.780 17.182 6.175 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.145 17.969 8.467 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.305 19.078 7.698 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.578 19.504 7.768 1.00 1.00 H new ATOM 1851 N GLU A 116 108.750 17.970 5.504 1.00 1.00 N ATOM 1852 CA GLU A 116 107.383 17.463 5.404 1.00 1.00 C ATOM 1853 C GLU A 116 107.280 16.568 4.170 1.00 1.00 C ATOM 1854 O GLU A 116 106.233 15.981 3.901 1.00 1.00 O ATOM 1855 CB GLU A 116 106.406 18.644 5.288 1.00 1.00 C ATOM 1856 CG GLU A 116 104.965 18.161 5.463 1.00 1.00 C ATOM 1857 CD GLU A 116 104.015 19.354 5.532 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.488 20.454 5.768 1.00 1.00 O ATOM 1859 OE2 GLU A 116 102.827 19.150 5.343 1.00 1.00 O ATOM 0 H GLU A 116 108.940 18.788 4.925 1.00 1.00 H new ATOM 0 HA GLU A 116 107.129 16.885 6.293 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.640 19.394 6.044 1.00 1.00 H new ATOM 0 HB3 GLU A 116 106.520 19.125 4.316 1.00 1.00 H new ATOM 0 HG2 GLU A 116 104.687 17.513 4.632 1.00 1.00 H new ATOM 0 HG3 GLU A 116 104.881 17.566 6.373 1.00 1.00 H new ATOM 1866 N GLY A 117 108.379 16.445 3.439 1.00 1.00 N ATOM 1867 CA GLY A 117 108.390 15.596 2.258 1.00 1.00 C ATOM 1868 C GLY A 117 107.901 16.346 1.031 1.00 1.00 C ATOM 1869 O GLY A 117 107.609 15.735 0.002 1.00 1.00 O ATOM 0 H GLY A 117 109.262 16.915 3.639 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.401 15.228 2.082 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.758 14.724 2.429 1.00 1.00 H new ATOM 1873 N LYS A 118 107.827 17.672 1.124 1.00 1.00 N ATOM 1874 CA LYS A 118 107.391 18.476 -0.009 1.00 1.00 C ATOM 1875 C LYS A 118 108.565 18.696 -0.945 1.00 1.00 C ATOM 1876 O LYS A 118 109.655 19.014 -0.493 1.00 1.00 O ATOM 1877 CB LYS A 118 106.850 19.826 0.469 1.00 1.00 C ATOM 1878 CG LYS A 118 105.368 19.677 0.823 1.00 1.00 C ATOM 1879 CD LYS A 118 104.824 21.003 1.367 1.00 1.00 C ATOM 1880 CE LYS A 118 103.349 20.830 1.738 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.817 22.097 2.316 1.00 1.00 N ATOM 0 H LYS A 118 108.061 18.205 1.962 1.00 1.00 H new ATOM 0 HA LYS A 118 106.593 17.950 -0.534 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.411 20.169 1.338 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.977 20.578 -0.309 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.803 19.377 -0.060 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.240 18.890 1.566 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.397 21.313 2.241 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.933 21.788 0.619 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.773 20.554 0.855 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.239 20.018 2.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.815 21.971 2.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.358 22.343 3.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.906 22.862 1.617 1.00 1.00 H new ATOM 1895 N GLN A 119 108.343 18.524 -2.241 1.00 1.00 N ATOM 1896 CA GLN A 119 109.404 18.692 -3.220 1.00 1.00 C ATOM 1897 C GLN A 119 109.632 20.164 -3.538 1.00 1.00 C ATOM 1898 O GLN A 119 108.708 20.868 -3.945 1.00 1.00 O ATOM 1899 CB GLN A 119 109.033 17.920 -4.493 1.00 1.00 C ATOM 1900 CG GLN A 119 109.631 18.608 -5.716 1.00 1.00 C ATOM 1901 CD GLN A 119 109.540 17.692 -6.927 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.443 17.335 -7.358 1.00 1.00 O ATOM 1903 NE2 GLN A 119 110.634 17.282 -7.501 1.00 1.00 N ATOM 0 H GLN A 119 107.438 18.269 -2.637 1.00 1.00 H new ATOM 0 HA GLN A 119 110.333 18.299 -2.808 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.400 16.896 -4.426 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.949 17.864 -4.591 1.00 1.00 H new ATOM 0 HG2 GLN A 119 109.101 19.540 -5.914 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.672 18.868 -5.524 1.00 1.00 H new ATOM 0 HE21 GLN A 119 111.541 17.580 -7.141 1.00 1.00 H new ATOM 0 HE22 GLN A 119 110.584 16.663 -8.310 1.00 1.00 H new ATOM 1912 N LEU A 120 110.872 20.618 -3.380 1.00 1.00 N ATOM 1913 CA LEU A 120 111.195 22.006 -3.695 1.00 1.00 C ATOM 1914 C LEU A 120 111.805 22.118 -5.083 1.00 1.00 C ATOM 1915 O LEU A 120 111.645 23.140 -5.750 1.00 1.00 O ATOM 1916 CB LEU A 120 112.180 22.601 -2.683 1.00 1.00 C ATOM 1917 CG LEU A 120 111.679 22.357 -1.263 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.215 21.040 -0.724 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.142 23.482 -0.350 1.00 1.00 C ATOM 0 H LEU A 120 111.655 20.058 -3.043 1.00 1.00 H new ATOM 0 HA LEU A 120 110.259 22.563 -3.653 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.164 22.151 -2.813 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.293 23.671 -2.859 1.00 1.00 H new ATOM 0 HG LEU A 120 110.590 22.320 -1.289 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.846 20.885 0.290 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.879 20.222 -1.362 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.305 21.068 -0.713 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.781 23.301 0.662 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.231 23.521 -0.345 1.00 1.00 H new ATOM 0 HD23 LEU A 120 111.746 24.431 -0.712 1.00 1.00 H new ATOM 1931 N ALA A 121 112.485 21.062 -5.531 1.00 1.00 N ATOM 1932 CA ALA A 121 113.091 21.064 -6.857 1.00 1.00 C ATOM 1933 C ALA A 121 113.748 19.721 -7.164 1.00 1.00 C ATOM 1934 O ALA A 121 113.927 18.894 -6.270 1.00 1.00 O ATOM 1935 CB ALA A 121 114.152 22.155 -6.963 1.00 1.00 C ATOM 0 H ALA A 121 112.628 20.204 -4.999 1.00 1.00 H new ATOM 0 HA ALA A 121 112.293 21.251 -7.575 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.592 22.139 -7.960 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.693 23.127 -6.784 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.930 21.979 -6.220 1.00 1.00 H new ATOM 1941 N ARG A 122 114.103 19.507 -8.427 1.00 1.00 N ATOM 1942 CA ARG A 122 114.751 18.260 -8.828 1.00 1.00 C ATOM 1943 C ARG A 122 115.680 18.492 -10.018 1.00 1.00 C ATOM 1944 O ARG A 122 115.386 19.298 -10.901 1.00 1.00 O ATOM 1945 CB ARG A 122 113.693 17.211 -9.187 1.00 1.00 C ATOM 1946 CG ARG A 122 112.919 17.636 -10.443 1.00 1.00 C ATOM 1947 CD ARG A 122 111.882 16.566 -10.768 1.00 1.00 C ATOM 1948 NE ARG A 122 111.196 16.882 -12.014 1.00 1.00 N ATOM 1949 CZ ARG A 122 110.142 17.687 -12.034 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.728 18.245 -10.931 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.524 17.921 -13.158 1.00 1.00 N ATOM 0 H ARG A 122 113.955 20.173 -9.185 1.00 1.00 H new ATOM 0 HA ARG A 122 115.347 17.897 -7.991 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.172 16.246 -9.357 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.003 17.082 -8.353 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.431 18.597 -10.278 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.603 17.766 -11.282 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.368 15.594 -10.850 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.159 16.494 -9.956 1.00 1.00 H new ATOM 0 HE ARG A 122 111.533 16.477 -12.887 1.00 1.00 H new ATOM 0 HH11 ARG A 122 110.215 18.062 -10.053 1.00 1.00 H new ATOM 0 HH12 ARG A 122 108.918 18.864 -10.946 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.851 17.485 -14.020 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.713 18.540 -13.175 1.00 1.00 H new ATOM 1965 N MET A 123 116.794 17.760 -10.041 1.00 1.00 N ATOM 1966 CA MET A 123 117.742 17.876 -11.139 1.00 1.00 C ATOM 1967 C MET A 123 118.408 16.538 -11.445 1.00 1.00 C ATOM 1968 O MET A 123 118.449 15.638 -10.606 1.00 1.00 O ATOM 1969 CB MET A 123 118.854 18.867 -10.804 1.00 1.00 C ATOM 1970 CG MET A 123 118.280 20.250 -10.491 1.00 1.00 C ATOM 1971 SD MET A 123 119.625 21.465 -10.475 1.00 1.00 S ATOM 1972 CE MET A 123 120.191 21.175 -8.782 1.00 1.00 C ATOM 0 H MET A 123 117.056 17.089 -9.319 1.00 1.00 H new ATOM 0 HA MET A 123 117.170 18.219 -12.001 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.424 18.504 -9.949 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.547 18.938 -11.642 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.535 20.525 -11.237 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.774 20.237 -9.525 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.252 21.413 -8.707 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.628 21.808 -8.097 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.035 20.128 -8.520 1.00 1.00 H new ATOM 1982 N GLY A 124 118.944 16.436 -12.651 1.00 1.00 N ATOM 1983 CA GLY A 124 119.636 15.225 -13.082 1.00 1.00 C ATOM 1984 C GLY A 124 121.088 15.558 -13.393 1.00 1.00 C ATOM 1985 O GLY A 124 121.657 16.476 -12.803 1.00 1.00 O ATOM 0 H GLY A 124 118.915 17.177 -13.352 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.584 14.466 -12.302 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.149 14.809 -13.964 1.00 1.00 H new ATOM 1989 N PHE A 125 121.678 14.852 -14.348 1.00 1.00 N ATOM 1990 CA PHE A 125 123.049 15.149 -14.736 1.00 1.00 C ATOM 1991 C PHE A 125 123.023 16.387 -15.619 1.00 1.00 C ATOM 1992 O PHE A 125 122.216 16.469 -16.543 1.00 1.00 O ATOM 1993 CB PHE A 125 123.657 13.975 -15.513 1.00 1.00 C ATOM 1994 CG PHE A 125 125.018 14.363 -16.048 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.055 14.672 -15.163 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.246 14.410 -17.433 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.318 15.029 -15.652 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.510 14.768 -17.924 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.546 15.077 -17.032 1.00 1.00 C ATOM 0 H PHE A 125 121.240 14.085 -14.859 1.00 1.00 H new ATOM 0 HA PHE A 125 123.658 15.317 -13.848 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.746 13.105 -14.863 1.00 1.00 H new ATOM 0 HB3 PHE A 125 123.000 13.692 -16.336 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.882 14.635 -14.098 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.448 14.170 -18.120 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.116 15.267 -14.964 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.685 14.806 -18.989 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.520 15.352 -17.409 1.00 1.00 H new ATOM 2009 N GLU A 126 123.884 17.358 -15.342 1.00 1.00 N ATOM 2010 CA GLU A 126 123.905 18.579 -16.135 1.00 1.00 C ATOM 2011 C GLU A 126 125.340 19.094 -16.287 1.00 1.00 C ATOM 2012 O GLU A 126 125.968 19.451 -15.290 1.00 1.00 O ATOM 2013 CB GLU A 126 123.064 19.661 -15.448 1.00 1.00 C ATOM 2014 CG GLU A 126 121.588 19.247 -15.425 1.00 1.00 C ATOM 2015 CD GLU A 126 120.708 20.476 -15.220 1.00 1.00 C ATOM 2016 OE1 GLU A 126 120.476 21.181 -16.188 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.280 20.694 -14.098 1.00 1.00 O ATOM 0 H GLU A 126 124.567 17.325 -14.586 1.00 1.00 H new ATOM 0 HA GLU A 126 123.494 18.355 -17.119 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.421 19.818 -14.430 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.176 20.608 -15.975 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.325 18.753 -16.360 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.415 18.528 -14.625 1.00 1.00 H new ATOM 2024 N PRO A 127 125.884 19.167 -17.483 1.00 1.00 N ATOM 2025 CA PRO A 127 127.267 19.679 -17.668 1.00 1.00 C ATOM 2026 C PRO A 127 127.433 21.081 -17.097 1.00 1.00 C ATOM 2027 O PRO A 127 126.458 21.817 -16.927 1.00 1.00 O ATOM 2028 CB PRO A 127 127.489 19.702 -19.178 1.00 1.00 C ATOM 2029 CG PRO A 127 126.405 18.877 -19.784 1.00 1.00 C ATOM 2030 CD PRO A 127 125.274 18.770 -18.766 1.00 1.00 C ATOM 0 HA PRO A 127 127.987 19.049 -17.146 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.457 20.723 -19.558 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.470 19.299 -19.431 1.00 1.00 H new ATOM 0 HG2 PRO A 127 126.047 19.335 -20.706 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.779 17.887 -20.044 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.443 19.424 -19.028 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.879 17.755 -18.719 1.00 1.00 H new ATOM 2038 N GLY A 128 128.675 21.433 -16.806 1.00 1.00 N ATOM 2039 CA GLY A 128 128.972 22.744 -16.249 1.00 1.00 C ATOM 2040 C GLY A 128 129.816 22.627 -14.998 1.00 1.00 C ATOM 2041 O GLY A 128 130.521 23.576 -14.651 1.00 1.00 O ATOM 0 H GLY A 128 129.489 20.834 -16.945 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.497 23.347 -16.990 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.042 23.263 -16.017 1.00 1.00 H new ATOM 2045 N GLY A 129 129.796 21.482 -14.327 1.00 1.00 N ATOM 2046 CA GLY A 129 130.616 21.316 -13.145 1.00 1.00 C ATOM 2047 C GLY A 129 129.863 21.619 -11.849 1.00 1.00 C ATOM 2048 O GLY A 129 128.668 21.914 -11.853 1.00 1.00 O ATOM 0 H GLY A 129 129.230 20.671 -14.579 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.991 20.293 -13.110 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.484 21.972 -13.216 1.00 1.00 H new ATOM 2052 N GLY A 130 130.572 21.450 -10.741 1.00 1.00 N ATOM 2053 CA GLY A 130 129.972 21.607 -9.417 1.00 1.00 C ATOM 2054 C GLY A 130 129.498 23.017 -9.090 1.00 1.00 C ATOM 2055 O GLY A 130 128.428 23.181 -8.511 1.00 1.00 O ATOM 0 H GLY A 130 131.562 21.205 -10.729 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.124 20.927 -9.335 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.700 21.301 -8.666 1.00 1.00 H new ATOM 2059 N ALA A 131 130.286 24.027 -9.438 1.00 1.00 N ATOM 2060 CA ALA A 131 129.914 25.403 -9.131 1.00 1.00 C ATOM 2061 C ALA A 131 128.614 25.773 -9.824 1.00 1.00 C ATOM 2062 O ALA A 131 127.728 26.381 -9.228 1.00 1.00 O ATOM 2063 CB ALA A 131 131.010 26.353 -9.612 1.00 1.00 C ATOM 0 H ALA A 131 131.175 23.922 -9.927 1.00 1.00 H new ATOM 0 HA ALA A 131 129.786 25.489 -8.052 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.728 27.380 -9.381 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.947 26.112 -9.110 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.138 26.245 -10.689 1.00 1.00 H new ATOM 2069 N ALA A 132 128.508 25.441 -11.089 1.00 1.00 N ATOM 2070 CA ALA A 132 127.319 25.784 -11.837 1.00 1.00 C ATOM 2071 C ALA A 132 126.089 25.056 -11.292 1.00 1.00 C ATOM 2072 O ALA A 132 124.986 25.607 -11.282 1.00 1.00 O ATOM 2073 CB ALA A 132 127.531 25.445 -13.310 1.00 1.00 C ATOM 0 H ALA A 132 129.221 24.939 -11.618 1.00 1.00 H new ATOM 0 HA ALA A 132 127.139 26.854 -11.732 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.635 25.703 -13.875 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.379 26.011 -13.695 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.730 24.378 -13.413 1.00 1.00 H new ATOM 2079 N TYR A 133 126.276 23.816 -10.856 1.00 1.00 N ATOM 2080 CA TYR A 133 125.177 23.014 -10.331 1.00 1.00 C ATOM 2081 C TYR A 133 124.585 23.652 -9.077 1.00 1.00 C ATOM 2082 O TYR A 133 123.368 23.654 -8.891 1.00 1.00 O ATOM 2083 CB TYR A 133 125.690 21.609 -10.006 1.00 1.00 C ATOM 2084 CG TYR A 133 124.535 20.704 -9.667 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.855 20.028 -10.689 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.148 20.531 -8.336 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.789 19.176 -10.376 1.00 1.00 C ATOM 2088 CE2 TYR A 133 123.080 19.683 -8.023 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.401 19.006 -9.042 1.00 1.00 C ATOM 2090 OH TYR A 133 121.354 18.163 -8.728 1.00 1.00 O ATOM 0 H TYR A 133 127.180 23.343 -10.856 1.00 1.00 H new ATOM 0 HA TYR A 133 124.392 22.958 -11.085 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.239 21.208 -10.858 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.387 21.652 -9.169 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.153 20.164 -11.718 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.673 21.052 -7.549 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.267 18.651 -11.162 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.780 19.551 -6.994 1.00 1.00 H new ATOM 0 HH TYR A 133 121.306 17.441 -9.389 1.00 1.00 H new ATOM 2100 N VAL A 134 125.442 24.167 -8.203 1.00 1.00 N ATOM 2101 CA VAL A 134 124.950 24.766 -6.974 1.00 1.00 C ATOM 2102 C VAL A 134 124.116 26.003 -7.277 1.00 1.00 C ATOM 2103 O VAL A 134 123.136 26.279 -6.608 1.00 1.00 O ATOM 2104 CB VAL A 134 126.089 25.124 -6.013 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.273 24.183 -6.194 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.541 26.569 -6.224 1.00 1.00 C ATOM 0 H VAL A 134 126.455 24.182 -8.319 1.00 1.00 H new ATOM 0 HA VAL A 134 124.323 24.022 -6.483 1.00 1.00 H new ATOM 0 HB VAL A 134 125.710 25.016 -4.997 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.067 24.459 -5.500 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.957 23.159 -5.995 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.643 24.256 -7.217 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.350 26.802 -5.532 1.00 1.00 H new ATOM 0 HG22 VAL A 134 126.892 26.694 -7.248 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.703 27.242 -6.043 1.00 1.00 H new ATOM 2116 N SER A 135 124.505 26.769 -8.270 1.00 1.00 N ATOM 2117 CA SER A 135 123.748 27.962 -8.591 1.00 1.00 C ATOM 2118 C SER A 135 122.302 27.592 -8.916 1.00 1.00 C ATOM 2119 O SER A 135 121.364 28.276 -8.504 1.00 1.00 O ATOM 2120 CB SER A 135 124.383 28.659 -9.791 1.00 1.00 C ATOM 2121 OG SER A 135 125.729 28.987 -9.475 1.00 1.00 O ATOM 0 H SER A 135 125.320 26.596 -8.858 1.00 1.00 H new ATOM 0 HA SER A 135 123.757 28.634 -7.733 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.349 28.009 -10.666 1.00 1.00 H new ATOM 0 HB3 SER A 135 123.824 29.561 -10.042 1.00 1.00 H new ATOM 0 HG SER A 135 126.145 29.434 -10.241 1.00 1.00 H new ATOM 2127 N LYS A 136 122.147 26.514 -9.679 1.00 1.00 N ATOM 2128 CA LYS A 136 120.824 26.044 -10.094 1.00 1.00 C ATOM 2129 C LYS A 136 119.961 25.580 -8.918 1.00 1.00 C ATOM 2130 O LYS A 136 118.766 25.877 -8.863 1.00 1.00 O ATOM 2131 CB LYS A 136 120.979 24.895 -11.092 1.00 1.00 C ATOM 2132 CG LYS A 136 121.534 25.431 -12.414 1.00 1.00 C ATOM 2133 CD LYS A 136 121.724 24.270 -13.392 1.00 1.00 C ATOM 2134 CE LYS A 136 122.303 24.792 -14.707 1.00 1.00 C ATOM 2135 NZ LYS A 136 122.519 23.649 -15.640 1.00 1.00 N ATOM 0 H LYS A 136 122.921 25.947 -10.024 1.00 1.00 H new ATOM 0 HA LYS A 136 120.315 26.890 -10.555 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.648 24.136 -10.687 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.016 24.414 -11.260 1.00 1.00 H new ATOM 0 HG2 LYS A 136 120.851 26.168 -12.836 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.484 25.937 -12.244 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.392 23.524 -12.960 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.770 23.776 -13.575 1.00 1.00 H new ATOM 0 HE2 LYS A 136 121.623 25.518 -15.154 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.245 25.309 -14.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 122.633 24.009 -16.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 123.376 23.130 -15.361 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 121.699 23.010 -15.602 1.00 1.00 H new ATOM 2149 N VAL A 137 120.559 24.841 -7.984 1.00 1.00 N ATOM 2150 CA VAL A 137 119.812 24.339 -6.833 1.00 1.00 C ATOM 2151 C VAL A 137 119.356 25.496 -5.941 1.00 1.00 C ATOM 2152 O VAL A 137 118.243 25.489 -5.414 1.00 1.00 O ATOM 2153 CB VAL A 137 120.661 23.316 -6.057 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.629 24.017 -5.138 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.760 22.411 -5.220 1.00 1.00 C ATOM 0 H VAL A 137 121.545 24.580 -8.001 1.00 1.00 H new ATOM 0 HA VAL A 137 118.915 23.829 -7.184 1.00 1.00 H new ATOM 0 HB VAL A 137 121.215 22.720 -6.782 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.220 23.277 -4.599 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.292 24.653 -5.725 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.076 24.629 -4.425 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.372 21.692 -4.676 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.194 23.016 -4.511 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.070 21.879 -5.875 1.00 1.00 H new ATOM 2165 N LYS A 138 120.232 26.477 -5.762 1.00 1.00 N ATOM 2166 CA LYS A 138 119.916 27.619 -4.917 1.00 1.00 C ATOM 2167 C LYS A 138 118.686 28.349 -5.441 1.00 1.00 C ATOM 2168 O LYS A 138 117.810 28.736 -4.669 1.00 1.00 O ATOM 2169 CB LYS A 138 121.100 28.582 -4.868 1.00 1.00 C ATOM 2170 CG LYS A 138 122.233 27.964 -4.056 1.00 1.00 C ATOM 2171 CD LYS A 138 123.431 28.912 -4.076 1.00 1.00 C ATOM 2172 CE LYS A 138 124.559 28.335 -3.228 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.715 29.273 -3.257 1.00 1.00 N ATOM 0 H LYS A 138 121.159 26.504 -6.187 1.00 1.00 H new ATOM 0 HA LYS A 138 119.708 27.253 -3.912 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.443 28.803 -5.879 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.793 29.528 -4.421 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.909 27.788 -3.030 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.511 26.996 -4.473 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.773 29.060 -5.100 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.139 29.890 -3.693 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.221 28.186 -2.203 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.856 27.359 -3.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.490 28.887 -2.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.040 29.393 -4.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.424 30.195 -2.873 1.00 1.00 H new ATOM 2187 N SER A 139 118.627 28.540 -6.748 1.00 1.00 N ATOM 2188 CA SER A 139 117.496 29.230 -7.346 1.00 1.00 C ATOM 2189 C SER A 139 116.235 28.394 -7.203 1.00 1.00 C ATOM 2190 O SER A 139 115.144 28.920 -6.985 1.00 1.00 O ATOM 2191 CB SER A 139 117.770 29.492 -8.826 1.00 1.00 C ATOM 2192 OG SER A 139 118.084 28.262 -9.468 1.00 1.00 O ATOM 0 H SER A 139 119.340 28.231 -7.409 1.00 1.00 H new ATOM 0 HA SER A 139 117.354 30.180 -6.830 1.00 1.00 H new ATOM 0 HB2 SER A 139 116.898 29.948 -9.294 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.596 30.195 -8.937 1.00 1.00 H new ATOM 0 HG SER A 139 118.314 27.590 -8.793 1.00 1.00 H new ATOM 2198 N ALA A 140 116.396 27.087 -7.343 1.00 1.00 N ATOM 2199 CA ALA A 140 115.276 26.165 -7.257 1.00 1.00 C ATOM 2200 C ALA A 140 114.679 26.127 -5.852 1.00 1.00 C ATOM 2201 O ALA A 140 113.460 26.035 -5.690 1.00 1.00 O ATOM 2202 CB ALA A 140 115.762 24.772 -7.657 1.00 1.00 C ATOM 0 H ALA A 140 117.296 26.640 -7.517 1.00 1.00 H new ATOM 0 HA ALA A 140 114.490 26.505 -7.932 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.933 24.067 -7.598 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.144 24.799 -8.678 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.556 24.456 -6.981 1.00 1.00 H new ATOM 2208 N LEU A 141 115.534 26.158 -4.845 1.00 1.00 N ATOM 2209 CA LEU A 141 115.076 26.086 -3.462 1.00 1.00 C ATOM 2210 C LEU A 141 114.787 27.461 -2.863 1.00 1.00 C ATOM 2211 O LEU A 141 114.342 27.552 -1.720 1.00 1.00 O ATOM 2212 CB LEU A 141 116.132 25.374 -2.617 1.00 1.00 C ATOM 2213 CG LEU A 141 115.907 23.861 -2.663 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.968 23.365 -4.107 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.994 23.168 -1.840 1.00 1.00 C ATOM 0 H LEU A 141 116.545 26.232 -4.954 1.00 1.00 H new ATOM 0 HA LEU A 141 114.138 25.530 -3.458 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.128 25.613 -2.988 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.083 25.726 -1.587 1.00 1.00 H new ATOM 0 HG LEU A 141 114.925 23.630 -2.251 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.807 22.287 -4.129 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.195 23.860 -4.695 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.946 23.594 -4.529 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.840 22.089 -1.868 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.973 23.406 -2.257 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.945 23.514 -0.808 1.00 1.00 H new ATOM 2227 N LYS A 142 115.040 28.532 -3.620 1.00 1.00 N ATOM 2228 CA LYS A 142 114.801 29.890 -3.131 1.00 1.00 C ATOM 2229 C LYS A 142 115.682 30.191 -1.918 1.00 1.00 C ATOM 2230 O LYS A 142 115.214 30.739 -0.920 1.00 1.00 O ATOM 2231 CB LYS A 142 113.331 30.079 -2.737 1.00 1.00 C ATOM 2232 CG LYS A 142 112.393 29.547 -3.831 1.00 1.00 C ATOM 2233 CD LYS A 142 112.468 30.415 -5.097 1.00 1.00 C ATOM 2234 CE LYS A 142 111.472 29.873 -6.130 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.505 30.721 -7.358 1.00 1.00 N ATOM 0 H LYS A 142 115.409 28.484 -4.570 1.00 1.00 H new ATOM 0 HA LYS A 142 115.049 30.577 -3.940 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.133 29.560 -1.799 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.131 31.136 -2.564 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.661 28.519 -4.075 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.369 29.530 -3.459 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.235 31.453 -4.857 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.479 30.401 -5.504 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.720 28.842 -6.382 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.466 29.865 -5.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.828 30.349 -8.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.247 31.698 -7.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.462 30.707 -7.764 1.00 1.00 H new ATOM 2249 N LEU A 143 116.967 29.868 -2.029 1.00 1.00 N ATOM 2250 CA LEU A 143 117.922 30.144 -0.960 1.00 1.00 C ATOM 2251 C LEU A 143 118.612 31.467 -1.268 1.00 1.00 C ATOM 2252 O LEU A 143 119.226 31.626 -2.322 1.00 1.00 O ATOM 2253 CB LEU A 143 118.981 29.033 -0.893 1.00 1.00 C ATOM 2254 CG LEU A 143 118.560 27.847 0.005 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.036 27.671 0.097 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.161 26.574 -0.584 1.00 1.00 C ATOM 0 H LEU A 143 117.371 29.415 -2.848 1.00 1.00 H new ATOM 0 HA LEU A 143 117.399 30.191 -0.005 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.178 28.666 -1.900 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.915 29.452 -0.518 1.00 1.00 H new ATOM 0 HG LEU A 143 118.922 28.049 1.013 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.806 26.823 0.741 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.590 28.574 0.513 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.630 27.491 -0.898 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.879 25.720 0.032 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.787 26.430 -1.598 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.247 26.661 -0.607 1.00 1.00 H new