USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 65 TYR OH : rot 180:sc= 0.261 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -94:sc= -0.509! USER MOD Single : A 77 SER OG : rot -61:sc= 0.133 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0601) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.22) USER MOD Single : A 83 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 89 SER OG : rot -64:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= -2.81! C(o=-2.8!,f=-6.3!) USER MOD Single : A 92 LYS NZ :NH3+ 130:sc= -0.175 (180deg=-0.882) USER MOD Single : A 93 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-4.7!) USER MOD Single : A 95 TYR OH : rot 121:sc= 0.181 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 146:sc= -0.138 (180deg=-0.986) USER MOD Single : A 102 MET CE :methyl 135:sc= -0.156 (180deg=-0.977) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.232 K(o=0.23,f=-2.8!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.662 27.396 20.785 1.00 15.00 N ATOM 386 CA LEU A 63 16.124 26.531 21.833 1.00 15.00 C ATOM 387 C LEU A 63 14.606 26.437 21.717 1.00 15.00 C ATOM 388 O LEU A 63 13.915 27.453 21.695 1.00 15.00 O ATOM 389 CB LEU A 63 16.498 27.089 23.207 1.00 15.00 C ATOM 390 CG LEU A 63 16.068 26.104 24.296 1.00 15.00 C ATOM 391 CD1 LEU A 63 16.974 24.871 24.256 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.187 26.777 25.665 1.00 15.00 C ATOM 0 HA LEU A 63 16.550 25.535 21.716 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.573 27.260 23.261 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.014 28.053 23.363 1.00 15.00 H new ATOM 0 HG LEU A 63 15.035 25.802 24.126 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.668 24.169 25.032 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.893 24.392 23.280 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.007 25.173 24.427 1.00 15.00 H new ATOM 0 HD21 LEU A 63 15.881 26.077 26.442 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.221 27.078 25.834 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.544 27.656 25.695 1.00 15.00 H new ATOM 404 N PHE A 64 14.097 25.214 21.615 1.00 15.00 N ATOM 405 CA PHE A 64 12.656 25.001 21.543 1.00 15.00 C ATOM 406 C PHE A 64 12.089 24.672 22.921 1.00 15.00 C ATOM 407 O PHE A 64 12.602 23.796 23.618 1.00 15.00 O ATOM 408 CB PHE A 64 12.344 23.859 20.576 1.00 15.00 C ATOM 409 CG PHE A 64 12.746 24.154 19.149 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.878 24.863 18.311 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.986 23.718 18.667 1.00 15.00 C ATOM 412 CE1 PHE A 64 12.249 25.137 16.989 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.357 23.992 17.345 1.00 15.00 C ATOM 414 CZ PHE A 64 13.489 24.702 16.506 1.00 15.00 C ATOM 0 H PHE A 64 14.656 24.361 21.581 1.00 15.00 H new ATOM 0 HA PHE A 64 12.192 25.919 21.183 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.858 22.958 20.912 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.275 23.647 20.608 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.922 25.199 18.684 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.656 23.171 19.314 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.579 25.684 16.342 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.313 23.656 16.972 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.776 24.914 15.487 1.00 15.00 H new ATOM 424 N TYR A 65 11.027 25.375 23.313 1.00 15.00 N ATOM 425 CA TYR A 65 10.347 25.084 24.574 1.00 15.00 C ATOM 426 C TYR A 65 8.871 24.805 24.304 1.00 15.00 C ATOM 427 O TYR A 65 8.270 25.427 23.431 1.00 15.00 O ATOM 428 CB TYR A 65 10.482 26.272 25.528 1.00 15.00 C ATOM 429 CG TYR A 65 10.129 25.935 26.959 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.104 25.390 27.802 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.835 26.165 27.440 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.785 25.075 29.128 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.517 25.849 28.768 1.00 15.00 C ATOM 434 CZ TYR A 65 9.492 25.303 29.612 1.00 15.00 C ATOM 435 OH TYR A 65 9.184 24.990 30.921 1.00 15.00 O ATOM 0 H TYR A 65 10.621 26.144 22.780 1.00 15.00 H new ATOM 0 HA TYR A 65 10.804 24.208 25.034 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.506 26.643 25.492 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.838 27.081 25.183 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.102 25.213 27.430 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.083 26.585 26.789 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.538 24.655 29.779 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.519 26.027 29.141 1.00 15.00 H new ATOM 0 HH TYR A 65 8.246 25.210 31.098 1.00 15.00 H new ATOM 445 N THR A 66 8.288 23.871 25.050 1.00 15.00 N ATOM 446 CA THR A 66 6.901 23.472 24.820 1.00 15.00 C ATOM 447 C THR A 66 6.011 23.878 25.993 1.00 15.00 C ATOM 448 O THR A 66 6.421 23.811 27.151 1.00 15.00 O ATOM 449 CB THR A 66 6.826 21.955 24.628 1.00 15.00 C ATOM 450 OG1 THR A 66 7.735 21.565 23.610 1.00 15.00 O ATOM 451 CG2 THR A 66 5.405 21.556 24.225 1.00 15.00 C ATOM 0 H THR A 66 8.750 23.378 25.814 1.00 15.00 H new ATOM 0 HA THR A 66 6.545 23.979 23.923 1.00 15.00 H new ATOM 0 HB THR A 66 7.087 21.458 25.562 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.690 20.594 23.486 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.355 20.476 24.089 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.707 21.856 25.007 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.139 22.052 23.291 1.00 15.00 H new ATOM 459 N LEU A 67 4.791 24.299 25.675 1.00 15.00 N ATOM 460 CA LEU A 67 3.827 24.692 26.696 1.00 15.00 C ATOM 461 C LEU A 67 3.056 23.480 27.208 1.00 15.00 C ATOM 462 O LEU A 67 2.478 22.726 26.425 1.00 15.00 O ATOM 463 CB LEU A 67 2.846 25.709 26.107 1.00 15.00 C ATOM 464 CG LEU A 67 3.580 27.014 25.790 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.657 27.938 24.992 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.980 27.704 27.099 1.00 15.00 C ATOM 0 H LEU A 67 4.447 24.377 24.718 1.00 15.00 H new ATOM 0 HA LEU A 67 4.368 25.138 27.531 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.392 25.307 25.201 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.037 25.898 26.812 1.00 15.00 H new ATOM 0 HG LEU A 67 4.473 26.795 25.204 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.180 28.868 24.766 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.368 27.449 24.062 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.765 28.157 25.579 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.503 28.634 26.875 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.086 27.922 27.683 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.636 27.047 27.671 1.00 15.00 H new ATOM 478 N LYS A 68 3.020 23.328 28.530 1.00 15.00 N ATOM 479 CA LYS A 68 2.332 22.203 29.155 1.00 15.00 C ATOM 480 C LYS A 68 1.351 22.701 30.212 1.00 15.00 C ATOM 481 O LYS A 68 1.618 23.677 30.913 1.00 15.00 O ATOM 482 CB LYS A 68 3.352 21.266 29.806 1.00 15.00 C ATOM 483 CG LYS A 68 2.642 20.017 30.331 1.00 15.00 C ATOM 484 CD LYS A 68 3.677 19.038 30.889 1.00 15.00 C ATOM 485 CE LYS A 68 4.308 19.626 32.153 1.00 15.00 C ATOM 486 NZ LYS A 68 5.046 18.556 32.884 1.00 15.00 N ATOM 0 H LYS A 68 3.460 23.971 29.189 1.00 15.00 H new ATOM 0 HA LYS A 68 1.780 21.662 28.386 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.116 20.984 29.081 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.861 21.778 30.623 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.929 20.291 31.108 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.074 19.545 29.529 1.00 15.00 H new ATOM 0 HD2 LYS A 68 3.204 18.083 31.117 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.447 18.842 30.143 1.00 15.00 H new ATOM 0 HE2 LYS A 68 4.988 20.437 31.890 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.536 20.053 32.793 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 5.475 18.955 33.743 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 4.386 17.797 33.147 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 5.792 18.169 32.272 1.00 15.00 H new ATOM 500 N THR A 69 0.218 22.015 30.342 1.00 15.00 N ATOM 501 CA THR A 69 -0.816 22.427 31.291 1.00 15.00 C ATOM 502 C THR A 69 -0.242 22.620 32.694 1.00 15.00 C ATOM 503 O THR A 69 0.528 21.792 33.181 1.00 15.00 O ATOM 504 CB THR A 69 -1.929 21.378 31.335 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.910 21.771 32.284 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.344 20.021 31.737 1.00 15.00 C ATOM 0 H THR A 69 -0.008 21.177 29.807 1.00 15.00 H new ATOM 0 HA THR A 69 -1.219 23.382 30.953 1.00 15.00 H new ATOM 0 HB THR A 69 -2.387 21.295 30.349 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.625 21.101 32.312 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.139 19.276 31.767 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.592 19.719 31.008 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.884 20.101 32.722 1.00 15.00 H new ATOM 514 N GLY A 70 -0.624 23.721 33.334 1.00 15.00 N ATOM 515 CA GLY A 70 -0.131 24.038 34.673 1.00 15.00 C ATOM 516 C GLY A 70 0.838 25.222 34.665 1.00 15.00 C ATOM 517 O GLY A 70 0.948 25.940 35.658 1.00 15.00 O ATOM 0 H GLY A 70 -1.272 24.408 32.949 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.975 24.265 35.325 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.369 23.164 35.091 1.00 15.00 H new ATOM 521 N GLU A 71 1.539 25.430 33.551 1.00 15.00 N ATOM 522 CA GLU A 71 2.483 26.539 33.441 1.00 15.00 C ATOM 523 C GLU A 71 1.927 27.624 32.523 1.00 15.00 C ATOM 524 O GLU A 71 1.243 27.330 31.543 1.00 15.00 O ATOM 525 CB GLU A 71 3.815 26.036 32.883 1.00 15.00 C ATOM 526 CG GLU A 71 4.857 27.159 32.956 1.00 15.00 C ATOM 527 CD GLU A 71 6.189 26.747 32.320 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.288 25.648 31.792 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.105 27.551 32.372 1.00 15.00 O ATOM 0 H GLU A 71 1.471 24.848 32.716 1.00 15.00 H new ATOM 0 HA GLU A 71 2.639 26.960 34.434 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.156 25.171 33.452 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.689 25.709 31.851 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.472 28.044 32.450 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.022 27.434 33.998 1.00 15.00 H new ATOM 536 N THR A 72 2.226 28.879 32.847 1.00 15.00 N ATOM 537 CA THR A 72 1.779 30.006 32.031 1.00 15.00 C ATOM 538 C THR A 72 2.977 30.704 31.398 1.00 15.00 C ATOM 539 O THR A 72 4.112 30.542 31.846 1.00 15.00 O ATOM 540 CB THR A 72 1.002 31.009 32.891 1.00 15.00 C ATOM 541 OG1 THR A 72 1.872 31.563 33.868 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.171 30.308 33.582 1.00 15.00 C ATOM 0 H THR A 72 2.774 29.142 33.666 1.00 15.00 H new ATOM 0 HA THR A 72 1.126 29.625 31.245 1.00 15.00 H new ATOM 0 HB THR A 72 0.613 31.804 32.255 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.794 31.054 34.702 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.718 31.028 34.191 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.839 29.888 32.829 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.207 29.508 34.218 1.00 15.00 H new ATOM 550 N VAL A 73 2.721 31.497 30.363 1.00 15.00 N ATOM 551 CA VAL A 73 3.799 32.183 29.656 1.00 15.00 C ATOM 552 C VAL A 73 4.593 33.058 30.625 1.00 15.00 C ATOM 553 O VAL A 73 5.824 33.051 30.618 1.00 15.00 O ATOM 554 CB VAL A 73 3.220 33.042 28.523 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.349 33.720 27.741 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.414 32.157 27.569 1.00 15.00 C ATOM 0 H VAL A 73 1.787 31.680 29.997 1.00 15.00 H new ATOM 0 HA VAL A 73 4.469 31.438 29.228 1.00 15.00 H new ATOM 0 HB VAL A 73 2.575 33.805 28.958 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.924 34.326 26.941 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.925 34.357 28.412 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.003 32.960 27.313 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.003 32.768 26.765 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.064 31.391 27.147 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.600 31.681 28.115 1.00 15.00 H new ATOM 566 N ALA A 74 3.883 33.782 31.484 1.00 15.00 N ATOM 567 CA ALA A 74 4.539 34.669 32.438 1.00 15.00 C ATOM 568 C ALA A 74 5.445 33.878 33.377 1.00 15.00 C ATOM 569 O ALA A 74 6.557 34.306 33.684 1.00 15.00 O ATOM 570 CB ALA A 74 3.493 35.436 33.248 1.00 15.00 C ATOM 0 H ALA A 74 2.865 33.773 31.540 1.00 15.00 H new ATOM 0 HA ALA A 74 5.152 35.378 31.881 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.994 36.095 33.957 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.875 36.030 32.575 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.864 34.730 33.790 1.00 15.00 H new ATOM 576 N ASP A 75 4.981 32.709 33.810 1.00 15.00 N ATOM 577 CA ASP A 75 5.754 31.896 34.745 1.00 15.00 C ATOM 578 C ASP A 75 7.093 31.499 34.131 1.00 15.00 C ATOM 579 O ASP A 75 8.140 31.617 34.769 1.00 15.00 O ATOM 580 CB ASP A 75 4.968 30.637 35.120 1.00 15.00 C ATOM 581 CG ASP A 75 3.697 30.998 35.887 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.688 32.024 36.549 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.747 30.238 35.802 1.00 15.00 O ATOM 0 H ASP A 75 4.085 32.307 33.533 1.00 15.00 H new ATOM 0 HA ASP A 75 5.940 32.487 35.642 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.709 30.083 34.218 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.591 29.982 35.728 1.00 15.00 H new ATOM 588 N LEU A 76 7.056 31.056 32.880 1.00 15.00 N ATOM 589 CA LEU A 76 8.276 30.638 32.196 1.00 15.00 C ATOM 590 C LEU A 76 9.265 31.797 32.124 1.00 15.00 C ATOM 591 O LEU A 76 10.455 31.631 32.384 1.00 15.00 O ATOM 592 CB LEU A 76 7.941 30.155 30.783 1.00 15.00 C ATOM 593 CG LEU A 76 9.198 29.602 30.104 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.567 28.252 30.723 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.926 29.417 28.610 1.00 15.00 C ATOM 0 H LEU A 76 6.205 30.977 32.323 1.00 15.00 H new ATOM 0 HA LEU A 76 8.730 29.821 32.757 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.172 29.383 30.827 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.533 30.978 30.196 1.00 15.00 H new ATOM 0 HG LEU A 76 10.022 30.301 30.244 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.461 27.862 30.238 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.759 28.380 31.788 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.744 27.551 30.585 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.819 29.024 28.124 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.101 28.718 28.474 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.665 30.378 28.166 1.00 15.00 H new ATOM 607 N SER A 77 8.757 32.978 31.794 1.00 15.00 N ATOM 608 CA SER A 77 9.610 34.154 31.661 1.00 15.00 C ATOM 609 C SER A 77 10.327 34.464 32.971 1.00 15.00 C ATOM 610 O SER A 77 11.506 34.810 32.972 1.00 15.00 O ATOM 611 CB SER A 77 8.766 35.358 31.243 1.00 15.00 C ATOM 612 OG SER A 77 9.627 36.428 30.879 1.00 15.00 O ATOM 0 H SER A 77 7.767 33.147 31.615 1.00 15.00 H new ATOM 0 HA SER A 77 10.361 33.946 30.899 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.122 35.092 30.405 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.114 35.662 32.062 1.00 15.00 H new ATOM 0 HG SER A 77 10.180 36.679 31.648 1.00 15.00 H new ATOM 618 N LYS A 78 9.606 34.349 34.080 1.00 15.00 N ATOM 619 CA LYS A 78 10.179 34.654 35.386 1.00 15.00 C ATOM 620 C LYS A 78 11.341 33.719 35.706 1.00 15.00 C ATOM 621 O LYS A 78 12.400 34.160 36.155 1.00 15.00 O ATOM 622 CB LYS A 78 9.103 34.524 36.467 1.00 15.00 C ATOM 623 CG LYS A 78 9.662 34.994 37.812 1.00 15.00 C ATOM 624 CD LYS A 78 8.612 34.784 38.904 1.00 15.00 C ATOM 625 CE LYS A 78 9.106 35.397 40.215 1.00 15.00 C ATOM 626 NZ LYS A 78 10.203 34.557 40.773 1.00 15.00 N ATOM 0 H LYS A 78 8.631 34.049 34.102 1.00 15.00 H new ATOM 0 HA LYS A 78 10.556 35.677 35.363 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.230 35.118 36.198 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.773 33.488 36.542 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.569 34.440 38.054 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.937 36.047 37.755 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.669 35.243 38.609 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.420 33.719 39.038 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.463 36.412 40.043 1.00 15.00 H new ATOM 0 HE3 LYS A 78 8.286 35.464 40.929 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 10.447 34.893 41.726 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.890 33.567 40.825 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 11.039 34.624 40.158 1.00 15.00 H new ATOM 640 N SER A 79 11.136 32.427 35.473 1.00 15.00 N ATOM 641 CA SER A 79 12.160 31.433 35.781 1.00 15.00 C ATOM 642 C SER A 79 13.427 31.680 34.968 1.00 15.00 C ATOM 643 O SER A 79 14.537 31.609 35.493 1.00 15.00 O ATOM 644 CB SER A 79 11.629 30.031 35.483 1.00 15.00 C ATOM 645 OG SER A 79 12.556 29.068 35.964 1.00 15.00 O ATOM 0 H SER A 79 10.278 32.045 35.075 1.00 15.00 H new ATOM 0 HA SER A 79 12.406 31.517 36.840 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.659 29.888 35.958 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.480 29.906 34.410 1.00 15.00 H new ATOM 0 HG SER A 79 12.219 28.167 35.776 1.00 15.00 H new ATOM 651 N GLN A 80 13.251 31.973 33.685 1.00 15.00 N ATOM 652 CA GLN A 80 14.388 32.216 32.796 1.00 15.00 C ATOM 653 C GLN A 80 15.013 33.607 32.974 1.00 15.00 C ATOM 654 O GLN A 80 16.033 33.902 32.350 1.00 15.00 O ATOM 655 CB GLN A 80 13.943 32.048 31.340 1.00 15.00 C ATOM 656 CG GLN A 80 13.357 30.649 31.116 1.00 15.00 C ATOM 657 CD GLN A 80 14.385 29.569 31.449 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.523 29.629 30.984 1.00 15.00 O ATOM 659 NE2 GLN A 80 14.049 28.580 32.233 1.00 15.00 N ATOM 0 H GLN A 80 12.338 32.049 33.236 1.00 15.00 H new ATOM 0 HA GLN A 80 15.153 31.486 33.059 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.199 32.805 31.091 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.791 32.204 30.674 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.471 30.518 31.737 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.038 30.546 30.079 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.105 28.532 32.617 1.00 15.00 H new ATOM 0 HE22 GLN A 80 14.730 27.856 32.461 1.00 15.00 H new ATOM 668 N ASP A 81 14.419 34.461 33.810 1.00 15.00 N ATOM 669 CA ASP A 81 14.941 35.809 34.009 1.00 15.00 C ATOM 670 C ASP A 81 14.960 36.574 32.687 1.00 15.00 C ATOM 671 O ASP A 81 15.914 37.286 32.371 1.00 15.00 O ATOM 672 CB ASP A 81 16.352 35.736 34.599 1.00 15.00 C ATOM 673 CG ASP A 81 16.821 37.129 35.008 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.453 37.563 36.086 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.540 37.741 34.235 1.00 15.00 O ATOM 0 H ASP A 81 13.584 34.244 34.354 1.00 15.00 H new ATOM 0 HA ASP A 81 14.291 36.340 34.704 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.359 35.073 35.464 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.039 35.313 33.867 1.00 15.00 H new ATOM 680 N ILE A 82 13.885 36.426 31.916 1.00 15.00 N ATOM 681 CA ILE A 82 13.755 37.111 30.632 1.00 15.00 C ATOM 682 C ILE A 82 12.607 38.113 30.700 1.00 15.00 C ATOM 683 O ILE A 82 11.605 37.875 31.375 1.00 15.00 O ATOM 684 CB ILE A 82 13.495 36.095 29.513 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.622 35.057 29.486 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.445 36.811 28.161 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.278 33.949 28.488 1.00 15.00 C ATOM 0 H ILE A 82 13.089 35.836 32.159 1.00 15.00 H new ATOM 0 HA ILE A 82 14.683 37.640 30.416 1.00 15.00 H new ATOM 0 HB ILE A 82 12.542 35.600 29.700 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.562 35.533 29.206 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.763 34.633 30.480 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.260 36.084 27.371 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.643 37.549 28.170 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.396 37.311 27.979 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.081 33.212 28.471 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.348 33.465 28.788 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.159 34.379 27.494 1.00 15.00 H new ATOM 699 N ASN A 83 12.760 39.237 30.008 1.00 15.00 N ATOM 700 CA ASN A 83 11.731 40.272 30.020 1.00 15.00 C ATOM 701 C ASN A 83 10.589 39.906 29.076 1.00 15.00 C ATOM 702 O ASN A 83 10.813 39.476 27.944 1.00 15.00 O ATOM 703 CB ASN A 83 12.335 41.613 29.598 1.00 15.00 C ATOM 704 CG ASN A 83 13.465 41.997 30.548 1.00 15.00 C ATOM 705 OD1 ASN A 83 14.540 42.402 30.104 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.285 41.897 31.837 1.00 15.00 N ATOM 0 H ASN A 83 13.577 39.454 29.437 1.00 15.00 H new ATOM 0 HA ASN A 83 11.337 40.353 31.033 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.713 41.546 28.578 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.566 42.385 29.603 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.035 42.154 32.478 1.00 15.00 H new ATOM 0 HD22 ASN A 83 12.394 41.561 32.203 1.00 15.00 H new ATOM 713 N LEU A 84 9.358 40.095 29.543 1.00 15.00 N ATOM 714 CA LEU A 84 8.191 39.774 28.731 1.00 15.00 C ATOM 715 C LEU A 84 8.225 40.534 27.407 1.00 15.00 C ATOM 716 O LEU A 84 7.866 39.989 26.364 1.00 15.00 O ATOM 717 CB LEU A 84 6.907 40.123 29.490 1.00 15.00 C ATOM 718 CG LEU A 84 6.850 39.349 30.811 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.615 39.784 31.603 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.756 37.848 30.526 1.00 15.00 C ATOM 0 H LEU A 84 9.145 40.465 30.469 1.00 15.00 H new ATOM 0 HA LEU A 84 8.208 38.705 28.521 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.871 41.195 29.686 1.00 15.00 H new ATOM 0 HB3 LEU A 84 6.037 39.881 28.880 1.00 15.00 H new ATOM 0 HG LEU A 84 7.752 39.556 31.387 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.573 39.234 32.543 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.673 40.853 31.810 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.717 39.576 31.021 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.716 37.301 31.468 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.855 37.643 29.948 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.631 37.530 29.959 1.00 15.00 H new ATOM 732 N SER A 85 8.682 41.783 27.445 1.00 15.00 N ATOM 733 CA SER A 85 8.747 42.593 26.234 1.00 15.00 C ATOM 734 C SER A 85 9.633 41.921 25.190 1.00 15.00 C ATOM 735 O SER A 85 9.279 41.850 24.015 1.00 15.00 O ATOM 736 CB SER A 85 9.304 43.979 26.563 1.00 15.00 C ATOM 737 OG SER A 85 9.184 44.813 25.419 1.00 15.00 O ATOM 0 H SER A 85 9.009 42.251 28.290 1.00 15.00 H new ATOM 0 HA SER A 85 7.740 42.693 25.830 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.761 44.413 27.403 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.349 43.902 26.864 1.00 15.00 H new ATOM 0 HG SER A 85 9.538 45.703 25.625 1.00 15.00 H new ATOM 743 N THR A 86 10.772 41.400 25.633 1.00 15.00 N ATOM 744 CA THR A 86 11.705 40.750 24.718 1.00 15.00 C ATOM 745 C THR A 86 11.057 39.536 24.057 1.00 15.00 C ATOM 746 O THR A 86 11.144 39.353 22.842 1.00 15.00 O ATOM 747 CB THR A 86 12.959 40.312 25.479 1.00 15.00 C ATOM 748 OG1 THR A 86 13.502 41.426 26.173 1.00 15.00 O ATOM 749 CG2 THR A 86 13.996 39.770 24.494 1.00 15.00 C ATOM 0 H THR A 86 11.070 41.414 26.608 1.00 15.00 H new ATOM 0 HA THR A 86 11.980 41.464 23.942 1.00 15.00 H new ATOM 0 HB THR A 86 12.696 39.530 26.191 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.304 41.147 26.662 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.887 39.459 25.039 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.580 38.915 23.961 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.261 40.549 23.779 1.00 15.00 H new ATOM 757 N ILE A 87 10.372 38.726 24.858 1.00 15.00 N ATOM 758 CA ILE A 87 9.750 37.509 24.344 1.00 15.00 C ATOM 759 C ILE A 87 8.771 37.855 23.225 1.00 15.00 C ATOM 760 O ILE A 87 8.764 37.219 22.173 1.00 15.00 O ATOM 761 CB ILE A 87 9.017 36.771 25.473 1.00 15.00 C ATOM 762 CG1 ILE A 87 10.002 36.455 26.604 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.433 35.457 24.945 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.243 35.878 27.801 1.00 15.00 C ATOM 0 H ILE A 87 10.234 38.887 25.856 1.00 15.00 H new ATOM 0 HA ILE A 87 10.528 36.858 23.946 1.00 15.00 H new ATOM 0 HB ILE A 87 8.213 37.406 25.845 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.751 35.743 26.258 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.534 37.359 26.900 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.914 34.939 25.752 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.730 35.669 24.139 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.238 34.827 24.568 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.946 35.654 28.604 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.510 36.605 28.152 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.732 34.963 27.501 1.00 15.00 H new ATOM 776 N TRP A 88 7.959 38.880 23.457 1.00 15.00 N ATOM 777 CA TRP A 88 6.978 39.298 22.463 1.00 15.00 C ATOM 778 C TRP A 88 7.652 39.709 21.157 1.00 15.00 C ATOM 779 O TRP A 88 7.266 39.252 20.082 1.00 15.00 O ATOM 780 CB TRP A 88 6.157 40.471 23.001 1.00 15.00 C ATOM 781 CG TRP A 88 5.087 40.926 22.058 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.839 40.407 21.989 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.151 41.978 21.051 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.134 41.072 21.003 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.897 42.049 20.397 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.163 42.865 20.646 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.658 42.972 19.375 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.925 43.793 19.620 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.677 43.848 18.986 1.00 15.00 C ATOM 0 H TRP A 88 7.960 39.432 24.315 1.00 15.00 H new ATOM 0 HA TRP A 88 6.324 38.450 22.262 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.699 40.182 23.947 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.825 41.306 23.212 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.457 39.605 22.603 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.167 40.865 20.754 1.00 15.00 H new ATOM 0 HE3 TRP A 88 7.129 42.833 21.127 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.694 43.009 18.889 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.710 44.470 19.317 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.502 44.566 18.198 1.00 15.00 H new ATOM 800 N SER A 89 8.687 40.538 21.251 1.00 15.00 N ATOM 801 CA SER A 89 9.342 41.058 20.055 1.00 15.00 C ATOM 802 C SER A 89 9.807 39.929 19.138 1.00 15.00 C ATOM 803 O SER A 89 9.702 40.035 17.916 1.00 15.00 O ATOM 804 CB SER A 89 10.545 41.915 20.454 1.00 15.00 C ATOM 805 OG SER A 89 11.543 41.080 21.025 1.00 15.00 O ATOM 0 H SER A 89 9.087 40.861 22.132 1.00 15.00 H new ATOM 0 HA SER A 89 8.616 41.664 19.512 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.943 42.434 19.582 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.241 42.680 21.169 1.00 15.00 H new ATOM 0 HG SER A 89 11.202 40.681 21.853 1.00 15.00 H new ATOM 811 N LEU A 90 10.318 38.852 19.727 1.00 15.00 N ATOM 812 CA LEU A 90 10.802 37.724 18.935 1.00 15.00 C ATOM 813 C LEU A 90 9.651 36.916 18.336 1.00 15.00 C ATOM 814 O LEU A 90 9.594 36.708 17.124 1.00 15.00 O ATOM 815 CB LEU A 90 11.662 36.809 19.812 1.00 15.00 C ATOM 816 CG LEU A 90 12.836 37.600 20.394 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.611 36.717 21.375 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.771 38.039 19.263 1.00 15.00 C ATOM 0 H LEU A 90 10.408 38.736 20.736 1.00 15.00 H new ATOM 0 HA LEU A 90 11.396 38.126 18.114 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.059 36.391 20.618 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.033 35.970 19.223 1.00 15.00 H new ATOM 0 HG LEU A 90 12.455 38.479 20.914 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.447 37.280 21.789 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.950 36.403 22.182 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.989 35.838 20.853 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.606 38.602 19.679 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.150 37.160 18.742 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.223 38.668 18.562 1.00 15.00 H new ATOM 830 N ASN A 91 8.715 36.490 19.179 1.00 15.00 N ATOM 831 CA ASN A 91 7.631 35.614 18.725 1.00 15.00 C ATOM 832 C ASN A 91 6.419 36.374 18.171 1.00 15.00 C ATOM 833 O ASN A 91 5.392 35.763 17.876 1.00 15.00 O ATOM 834 CB ASN A 91 7.179 34.719 19.882 1.00 15.00 C ATOM 835 CG ASN A 91 8.319 33.794 20.296 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.226 32.576 20.135 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.399 34.298 20.825 1.00 15.00 N ATOM 0 H ASN A 91 8.681 36.732 20.169 1.00 15.00 H new ATOM 0 HA ASN A 91 8.034 35.021 17.904 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.870 35.332 20.729 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.312 34.131 19.581 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.164 33.684 21.104 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.479 35.306 20.959 1.00 15.00 H new ATOM 844 N LYS A 92 6.523 37.694 18.023 1.00 15.00 N ATOM 845 CA LYS A 92 5.434 38.484 17.455 1.00 15.00 C ATOM 846 C LYS A 92 4.944 37.915 16.119 1.00 15.00 C ATOM 847 O LYS A 92 3.776 38.080 15.768 1.00 15.00 O ATOM 848 CB LYS A 92 5.886 39.943 17.300 1.00 15.00 C ATOM 849 CG LYS A 92 6.975 40.069 16.228 1.00 15.00 C ATOM 850 CD LYS A 92 7.492 41.508 16.191 1.00 15.00 C ATOM 851 CE LYS A 92 8.341 41.715 14.936 1.00 15.00 C ATOM 852 NZ LYS A 92 7.486 41.558 13.726 1.00 15.00 N ATOM 0 H LYS A 92 7.346 38.236 18.287 1.00 15.00 H new ATOM 0 HA LYS A 92 4.588 38.439 18.141 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.032 40.565 17.032 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.264 40.314 18.253 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.794 39.383 16.444 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.574 39.790 15.253 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.655 42.206 16.196 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.085 41.715 17.082 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.792 42.707 14.949 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.158 40.993 14.913 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 7.629 42.370 13.092 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.744 40.681 13.230 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 6.487 41.513 14.010 1.00 15.00 H new ATOM 866 N HIS A 93 5.834 37.264 15.373 1.00 15.00 N ATOM 867 CA HIS A 93 5.450 36.679 14.092 1.00 15.00 C ATOM 868 C HIS A 93 4.638 35.397 14.290 1.00 15.00 C ATOM 869 O HIS A 93 3.709 35.121 13.530 1.00 15.00 O ATOM 870 CB HIS A 93 6.694 36.412 13.232 1.00 15.00 C ATOM 871 CG HIS A 93 7.533 35.234 13.660 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.490 35.318 14.661 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.581 33.938 13.207 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.068 34.108 14.772 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.551 33.230 13.910 1.00 15.00 N ATOM 0 H HIS A 93 6.812 37.130 15.629 1.00 15.00 H new ATOM 0 HA HIS A 93 4.815 37.394 13.569 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.376 36.255 12.201 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.320 37.305 13.240 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.715 36.146 15.212 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.960 33.530 12.423 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.855 33.875 15.474 1.00 15.00 H new ATOM 883 N LEU A 94 4.987 34.617 15.311 1.00 15.00 N ATOM 884 CA LEU A 94 4.292 33.360 15.574 1.00 15.00 C ATOM 885 C LEU A 94 2.845 33.604 15.992 1.00 15.00 C ATOM 886 O LEU A 94 1.940 32.883 15.571 1.00 15.00 O ATOM 887 CB LEU A 94 5.010 32.584 16.681 1.00 15.00 C ATOM 888 CG LEU A 94 6.463 32.319 16.279 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.194 31.637 17.438 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.503 31.405 15.051 1.00 15.00 C ATOM 0 H LEU A 94 5.740 34.831 15.964 1.00 15.00 H new ATOM 0 HA LEU A 94 4.296 32.780 14.651 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.979 33.150 17.612 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.497 31.640 16.865 1.00 15.00 H new ATOM 0 HG LEU A 94 6.948 33.266 16.042 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.229 31.447 17.154 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.171 32.285 18.314 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.703 30.692 17.672 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.539 31.220 14.769 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.016 30.459 15.286 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.982 31.885 14.223 1.00 15.00 H new ATOM 902 N TYR A 95 2.631 34.622 16.822 1.00 15.00 N ATOM 903 CA TYR A 95 1.290 34.930 17.316 1.00 15.00 C ATOM 904 C TYR A 95 0.774 36.233 16.713 1.00 15.00 C ATOM 905 O TYR A 95 1.544 37.151 16.436 1.00 15.00 O ATOM 906 CB TYR A 95 1.316 35.045 18.842 1.00 15.00 C ATOM 907 CG TYR A 95 1.768 33.777 19.529 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.859 32.732 19.733 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.094 33.645 19.959 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.275 31.556 20.369 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.510 32.469 20.595 1.00 15.00 C ATOM 912 CZ TYR A 95 2.601 31.424 20.800 1.00 15.00 C ATOM 913 OH TYR A 95 3.008 30.266 21.431 1.00 15.00 O ATOM 0 H TYR A 95 3.363 35.244 17.165 1.00 15.00 H new ATOM 0 HA TYR A 95 0.620 34.123 17.020 1.00 15.00 H new ATOM 0 HB2 TYR A 95 1.980 35.861 19.127 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.319 35.307 19.197 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.163 32.833 19.400 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.796 34.450 19.800 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.573 30.751 20.527 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.533 32.368 20.928 1.00 15.00 H new ATOM 0 HH TYR A 95 3.736 29.854 20.921 1.00 15.00 H new ATOM 923 N SER A 96 -0.539 36.304 16.518 1.00 15.00 N ATOM 924 CA SER A 96 -1.148 37.461 15.873 1.00 15.00 C ATOM 925 C SER A 96 -1.174 38.674 16.799 1.00 15.00 C ATOM 926 O SER A 96 -0.938 39.800 16.362 1.00 15.00 O ATOM 927 CB SER A 96 -2.576 37.121 15.442 1.00 15.00 C ATOM 928 OG SER A 96 -2.552 35.960 14.622 1.00 15.00 O ATOM 0 H SER A 96 -1.199 35.577 16.796 1.00 15.00 H new ATOM 0 HA SER A 96 -0.543 37.712 15.002 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.202 36.950 16.318 1.00 15.00 H new ATOM 0 HB3 SER A 96 -3.013 37.957 14.896 1.00 15.00 H new ATOM 0 HG SER A 96 -3.465 35.737 14.344 1.00 15.00 H new ATOM 934 N SER A 97 -1.460 38.441 18.077 1.00 15.00 N ATOM 935 CA SER A 97 -1.604 39.543 19.023 1.00 15.00 C ATOM 936 C SER A 97 -1.218 39.115 20.435 1.00 15.00 C ATOM 937 O SER A 97 -1.016 37.931 20.707 1.00 15.00 O ATOM 938 CB SER A 97 -3.049 40.043 19.021 1.00 15.00 C ATOM 939 OG SER A 97 -3.885 39.059 19.615 1.00 15.00 O ATOM 0 H SER A 97 -1.595 37.513 18.477 1.00 15.00 H new ATOM 0 HA SER A 97 -0.934 40.344 18.711 1.00 15.00 H new ATOM 0 HB2 SER A 97 -3.123 40.981 19.572 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.375 40.246 18.001 1.00 15.00 H new ATOM 0 HG SER A 97 -4.812 39.376 19.618 1.00 15.00 H new ATOM 945 N GLU A 98 -1.117 40.095 21.330 1.00 15.00 N ATOM 946 CA GLU A 98 -0.750 39.824 22.717 1.00 15.00 C ATOM 947 C GLU A 98 -1.814 38.981 23.418 1.00 15.00 C ATOM 948 O GLU A 98 -1.493 38.139 24.258 1.00 15.00 O ATOM 949 CB GLU A 98 -0.559 41.134 23.487 1.00 15.00 C ATOM 950 CG GLU A 98 0.656 41.897 22.945 1.00 15.00 C ATOM 951 CD GLU A 98 0.332 42.616 21.633 1.00 15.00 C ATOM 952 OE1 GLU A 98 -0.837 42.825 21.349 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.269 42.951 20.927 1.00 15.00 O ATOM 0 H GLU A 98 -1.283 41.079 21.121 1.00 15.00 H new ATOM 0 HA GLU A 98 0.187 39.267 22.704 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.454 41.750 23.398 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.422 40.924 24.548 1.00 15.00 H new ATOM 0 HG2 GLU A 98 0.990 42.624 23.686 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.481 41.202 22.786 1.00 15.00 H new ATOM 960 N SER A 99 -3.081 39.201 23.075 1.00 15.00 N ATOM 961 CA SER A 99 -4.173 38.479 23.719 1.00 15.00 C ATOM 962 C SER A 99 -3.980 36.972 23.582 1.00 15.00 C ATOM 963 O SER A 99 -4.169 36.221 24.539 1.00 15.00 O ATOM 964 CB SER A 99 -5.508 38.882 23.093 1.00 15.00 C ATOM 965 OG SER A 99 -6.569 38.320 23.853 1.00 15.00 O ATOM 0 H SER A 99 -3.374 39.868 22.361 1.00 15.00 H new ATOM 0 HA SER A 99 -4.175 38.737 24.778 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.598 39.968 23.068 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.559 38.534 22.061 1.00 15.00 H new ATOM 0 HG SER A 99 -7.427 38.577 23.456 1.00 15.00 H new ATOM 971 N GLU A 100 -3.564 36.535 22.399 1.00 15.00 N ATOM 972 CA GLU A 100 -3.354 35.112 22.156 1.00 15.00 C ATOM 973 C GLU A 100 -2.269 34.547 23.072 1.00 15.00 C ATOM 974 O GLU A 100 -2.360 33.399 23.507 1.00 15.00 O ATOM 975 CB GLU A 100 -2.980 34.881 20.689 1.00 15.00 C ATOM 976 CG GLU A 100 -4.172 35.259 19.804 1.00 15.00 C ATOM 977 CD GLU A 100 -3.895 34.976 18.325 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.747 34.769 17.963 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.846 35.000 17.561 1.00 15.00 O ATOM 0 H GLU A 100 -3.367 37.138 21.600 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.285 34.589 22.377 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.109 35.481 20.424 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.709 33.837 20.530 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.052 34.701 20.122 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.401 36.317 19.935 1.00 15.00 H new ATOM 986 N MET A 101 -1.247 35.349 23.364 1.00 15.00 N ATOM 987 CA MET A 101 -0.179 34.907 24.257 1.00 15.00 C ATOM 988 C MET A 101 -0.715 34.675 25.667 1.00 15.00 C ATOM 989 O MET A 101 -0.496 33.620 26.260 1.00 15.00 O ATOM 990 CB MET A 101 0.934 35.957 24.303 1.00 15.00 C ATOM 991 CG MET A 101 1.581 36.083 22.923 1.00 15.00 C ATOM 992 SD MET A 101 3.031 37.163 23.032 1.00 15.00 S ATOM 993 CE MET A 101 4.114 36.010 23.912 1.00 15.00 C ATOM 0 H MET A 101 -1.136 36.296 23.001 1.00 15.00 H new ATOM 0 HA MET A 101 0.220 33.968 23.873 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.527 36.919 24.614 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.683 35.674 25.042 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.874 35.099 22.556 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.864 36.489 22.209 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.143 36.156 23.585 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.045 36.192 24.984 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.807 34.986 23.697 1.00 15.00 H new ATOM 1003 N MET A 102 -1.474 35.639 26.175 1.00 15.00 N ATOM 1004 CA MET A 102 -2.012 35.541 27.530 1.00 15.00 C ATOM 1005 C MET A 102 -2.901 34.310 27.689 1.00 15.00 C ATOM 1006 O MET A 102 -2.896 33.661 28.735 1.00 15.00 O ATOM 1007 CB MET A 102 -2.820 36.798 27.860 1.00 15.00 C ATOM 1008 CG MET A 102 -1.897 38.017 27.850 1.00 15.00 C ATOM 1009 SD MET A 102 -2.801 39.463 28.455 1.00 15.00 S ATOM 1010 CE MET A 102 -2.862 38.980 30.198 1.00 15.00 C ATOM 0 H MET A 102 -1.730 36.491 25.676 1.00 15.00 H new ATOM 0 HA MET A 102 -1.172 35.448 28.218 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.621 36.929 27.132 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.291 36.694 28.837 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.025 37.831 28.477 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.530 38.200 26.840 1.00 15.00 H new ATOM 0 HE1 MET A 102 -2.608 39.837 30.822 1.00 15.00 H new ATOM 0 HE2 MET A 102 -3.866 38.636 30.445 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.148 38.176 30.378 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.662 33.994 26.647 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.586 32.860 26.690 1.00 15.00 C ATOM 1022 C LYS A 103 -3.956 31.562 26.170 1.00 15.00 C ATOM 1023 O LYS A 103 -4.674 30.611 25.862 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.824 33.181 25.851 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.562 34.374 26.462 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.856 34.626 25.685 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.532 35.893 26.212 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.507 36.391 25.202 1.00 15.00 N ATOM 0 H LYS A 103 -3.660 34.504 25.763 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.851 32.702 27.735 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.532 33.407 24.825 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.483 32.314 25.811 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.787 34.178 27.510 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.929 35.261 26.432 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.639 34.733 24.622 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.527 33.773 25.789 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -9.042 35.682 27.152 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.784 36.658 26.419 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.967 37.252 25.559 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.008 36.607 24.315 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -10.227 35.662 25.025 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.626 31.508 26.066 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.950 30.318 25.555 1.00 15.00 C ATOM 1044 C ALA A 104 -2.382 29.065 26.310 1.00 15.00 C ATOM 1045 O ALA A 104 -2.628 29.104 27.516 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.435 30.490 25.678 1.00 15.00 C ATOM 0 H ALA A 104 -2.001 32.270 26.328 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.227 30.198 24.508 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.064 29.600 25.296 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.119 31.359 25.101 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.169 30.634 26.725 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.471 27.955 25.584 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.895 26.685 26.166 1.00 15.00 C ATOM 1054 C ALA A 105 -1.891 25.577 25.837 1.00 15.00 C ATOM 1055 O ALA A 105 -1.004 25.783 25.006 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.274 26.301 25.628 1.00 15.00 C ATOM 0 H ALA A 105 -2.254 27.909 24.588 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.945 26.803 27.248 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.584 25.352 26.066 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -4.995 27.075 25.890 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.227 26.201 24.544 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.999 24.418 26.454 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.035 23.302 26.196 1.00 15.00 C ATOM 1064 C PRO A 106 -1.004 22.887 24.727 1.00 15.00 C ATOM 1065 O PRO A 106 -2.021 22.934 24.035 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.531 22.148 27.076 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.408 22.775 28.105 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.014 24.011 27.448 1.00 15.00 C ATOM 0 HA PRO A 106 -0.014 23.603 26.429 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.081 21.415 26.487 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.696 21.623 27.540 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.187 22.084 28.427 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.836 23.046 28.992 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.969 23.784 26.974 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.199 24.801 28.176 1.00 15.00 H new ATOM 1076 N GLY A 107 0.174 22.480 24.260 1.00 15.00 N ATOM 1077 CA GLY A 107 0.325 22.009 22.883 1.00 15.00 C ATOM 1078 C GLY A 107 0.995 23.035 21.963 1.00 15.00 C ATOM 1079 O GLY A 107 1.451 22.674 20.876 1.00 15.00 O ATOM 0 H GLY A 107 1.033 22.466 24.809 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.913 21.091 22.882 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.657 21.758 22.482 1.00 15.00 H new ATOM 1083 N GLN A 108 1.060 24.301 22.379 1.00 15.00 N ATOM 1084 CA GLN A 108 1.678 25.332 21.552 1.00 15.00 C ATOM 1085 C GLN A 108 3.182 25.393 21.797 1.00 15.00 C ATOM 1086 O GLN A 108 3.663 25.002 22.860 1.00 15.00 O ATOM 1087 CB GLN A 108 1.041 26.693 21.832 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.410 26.678 21.348 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.050 28.044 21.569 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.537 28.327 22.662 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.074 28.911 20.594 1.00 15.00 N ATOM 0 H GLN A 108 0.696 24.632 23.273 1.00 15.00 H new ATOM 0 HA GLN A 108 1.510 25.075 20.506 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.079 26.913 22.899 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.598 27.480 21.324 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.446 26.418 20.290 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.972 25.913 21.884 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.669 28.672 19.689 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.498 29.828 20.737 1.00 15.00 H new ATOM 1100 N GLN A 109 3.921 25.880 20.804 1.00 15.00 N ATOM 1101 CA GLN A 109 5.377 25.943 20.897 1.00 15.00 C ATOM 1102 C GLN A 109 5.863 27.386 20.993 1.00 15.00 C ATOM 1103 O GLN A 109 5.210 28.314 20.512 1.00 15.00 O ATOM 1104 CB GLN A 109 6.002 25.280 19.667 1.00 15.00 C ATOM 1105 CG GLN A 109 5.644 23.792 19.649 1.00 15.00 C ATOM 1106 CD GLN A 109 6.184 23.126 18.385 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.503 23.800 17.405 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.306 21.827 18.349 1.00 15.00 N ATOM 0 H GLN A 109 3.537 26.236 19.928 1.00 15.00 H new ATOM 0 HA GLN A 109 5.681 25.415 21.801 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.641 25.762 18.759 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.085 25.404 19.685 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.058 23.302 20.530 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.562 23.672 19.696 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.042 21.267 19.160 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.665 21.372 17.510 1.00 15.00 H new ATOM 1117 N ILE A 110 6.993 27.563 21.670 1.00 15.00 N ATOM 1118 CA ILE A 110 7.642 28.865 21.774 1.00 15.00 C ATOM 1119 C ILE A 110 9.098 28.744 21.328 1.00 15.00 C ATOM 1120 O ILE A 110 9.780 27.782 21.679 1.00 15.00 O ATOM 1121 CB ILE A 110 7.570 29.364 23.224 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.103 29.473 23.647 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.236 30.739 23.345 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.015 29.769 25.146 1.00 15.00 C ATOM 0 H ILE A 110 7.482 26.813 22.159 1.00 15.00 H new ATOM 0 HA ILE A 110 7.131 29.581 21.130 1.00 15.00 H new ATOM 0 HB ILE A 110 8.093 28.659 23.870 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.610 30.264 23.082 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.580 28.544 23.419 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.178 31.082 24.378 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.281 30.665 23.045 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.723 31.450 22.698 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.968 29.845 25.441 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.492 28.963 25.705 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.522 30.709 25.362 1.00 15.00 H new ATOM 1136 N ILE A 111 9.573 29.723 20.561 1.00 15.00 N ATOM 1137 CA ILE A 111 10.957 29.708 20.090 1.00 15.00 C ATOM 1138 C ILE A 111 11.780 30.750 20.844 1.00 15.00 C ATOM 1139 O ILE A 111 11.357 31.895 21.000 1.00 15.00 O ATOM 1140 CB ILE A 111 11.019 29.991 18.584 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.141 28.985 17.831 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.463 29.855 18.093 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.070 29.369 16.352 1.00 15.00 C ATOM 0 H ILE A 111 9.027 30.529 20.255 1.00 15.00 H new ATOM 0 HA ILE A 111 11.372 28.718 20.277 1.00 15.00 H new ATOM 0 HB ILE A 111 10.660 31.003 18.399 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.550 27.980 17.937 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.139 28.968 18.261 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.504 30.057 17.023 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.096 30.569 18.621 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.819 28.843 18.285 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.445 28.652 15.820 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.641 30.366 16.255 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.073 29.363 15.926 1.00 15.00 H new ATOM 1155 N LEU A 112 12.950 30.336 21.315 1.00 15.00 N ATOM 1156 CA LEU A 112 13.864 31.237 22.007 1.00 15.00 C ATOM 1157 C LEU A 112 15.171 31.367 21.220 1.00 15.00 C ATOM 1158 O LEU A 112 16.044 30.507 21.350 1.00 15.00 O ATOM 1159 CB LEU A 112 14.170 30.686 23.402 1.00 15.00 C ATOM 1160 CG LEU A 112 12.920 30.791 24.278 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.131 29.990 25.565 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.664 32.258 24.628 1.00 15.00 C ATOM 0 H LEU A 112 13.289 29.378 21.230 1.00 15.00 H new ATOM 0 HA LEU A 112 13.396 32.218 22.092 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.491 29.647 23.332 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.991 31.244 23.853 1.00 15.00 H new ATOM 0 HG LEU A 112 12.062 30.391 23.737 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.241 30.064 26.190 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.314 28.945 25.317 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.988 30.390 26.106 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.773 32.333 25.252 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.521 32.658 25.169 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.514 32.830 23.712 1.00 15.00 H new ATOM 1174 N PRO A 113 15.311 32.362 20.368 1.00 15.00 N ATOM 1175 CA PRO A 113 16.593 32.589 19.639 1.00 15.00 C ATOM 1176 C PRO A 113 17.583 33.403 20.467 1.00 15.00 C ATOM 1177 O PRO A 113 17.453 34.621 20.584 1.00 15.00 O ATOM 1178 CB PRO A 113 16.163 33.357 18.391 1.00 15.00 C ATOM 1179 CG PRO A 113 14.958 34.132 18.808 1.00 15.00 C ATOM 1180 CD PRO A 113 14.298 33.355 19.951 1.00 15.00 C ATOM 0 HA PRO A 113 17.111 31.657 19.413 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.956 34.019 18.042 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.931 32.678 17.571 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.238 35.134 19.134 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.267 34.250 17.973 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.029 34.016 20.775 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.380 32.869 19.620 1.00 15.00 H new