USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 737 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 98 ASN : amide:sc= -1.14 K(o=-4,f=-14!) USER MOD Set 1.2: A 116 SER OG : rot -86:sc= -2.89 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0552) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 30 HIS : no HD1:sc= -1.59! K(o=-1.6!,f=-0.2) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.43) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.98! K(o=-3!,f=-1.2) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.4) USER MOD Single : A 54 SER OG : rot 113:sc= 0.114 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 61 ASN : amide:sc= -0.988 K(o=-0.99,f=-1.9) USER MOD Single : A 62 THR OG1 : rot 51:sc= 0.172 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.05) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -4.34! C(o=-4.3!,f=-8.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.12) USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.0343 (180deg=-0.326) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.39! K(o=-3.4!,f=-0.77) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 15:sc= -0.31 USER MOD Single : A 106 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.055) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -7.08! C(o=-7.1!,f=-4!) USER MOD Single : A 115 TYR OH : rot -85:sc= 0.93 USER MOD Single : A 117 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-4!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -28.918 -56.054 31.371 1.00 0.00 N ATOM 2 CA GLY A 15 -28.967 -54.615 31.171 1.00 0.00 C ATOM 3 C GLY A 15 -27.559 -54.035 31.022 1.00 0.00 C ATOM 4 O GLY A 15 -26.689 -54.287 31.854 1.00 0.00 O ATOM 0 HA2 GLY A 15 -29.554 -54.387 30.281 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -29.471 -54.144 32.015 1.00 0.00 H new ATOM 8 N SER A 16 -27.380 -53.267 29.957 1.00 0.00 N ATOM 9 CA SER A 16 -26.092 -52.649 29.689 1.00 0.00 C ATOM 10 C SER A 16 -26.176 -51.794 28.423 1.00 0.00 C ATOM 11 O SER A 16 -27.005 -52.051 27.550 1.00 0.00 O ATOM 12 CB SER A 16 -24.994 -53.703 29.546 1.00 0.00 C ATOM 13 OG SER A 16 -25.166 -54.499 28.377 1.00 0.00 O ATOM 0 H SER A 16 -28.105 -53.059 29.270 1.00 0.00 H new ATOM 0 HA SER A 16 -25.836 -52.011 30.535 1.00 0.00 H new ATOM 0 HB2 SER A 16 -24.022 -53.211 29.510 1.00 0.00 H new ATOM 0 HB3 SER A 16 -24.993 -54.347 30.426 1.00 0.00 H new ATOM 0 HG SER A 16 -24.444 -55.159 28.321 1.00 0.00 H new ATOM 18 N GLY A 17 -25.307 -50.796 28.362 1.00 0.00 N ATOM 19 CA GLY A 17 -25.273 -49.903 27.216 1.00 0.00 C ATOM 20 C GLY A 17 -24.509 -48.619 27.546 1.00 0.00 C ATOM 21 O GLY A 17 -24.034 -48.445 28.667 1.00 0.00 O ATOM 0 H GLY A 17 -24.621 -50.586 29.087 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.800 -50.406 26.372 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -26.290 -49.657 26.911 1.00 0.00 H new ATOM 25 N MET A 18 -24.416 -47.751 26.549 1.00 0.00 N ATOM 26 CA MET A 18 -23.719 -46.488 26.718 1.00 0.00 C ATOM 27 C MET A 18 -24.348 -45.394 25.853 1.00 0.00 C ATOM 28 O MET A 18 -25.213 -45.673 25.025 1.00 0.00 O ATOM 29 CB MET A 18 -22.248 -46.661 26.334 1.00 0.00 C ATOM 30 CG MET A 18 -21.452 -47.287 27.480 1.00 0.00 C ATOM 31 SD MET A 18 -21.409 -49.061 27.296 1.00 0.00 S ATOM 32 CE MET A 18 -19.851 -49.247 26.443 1.00 0.00 C ATOM 0 H MET A 18 -24.812 -47.898 25.621 1.00 0.00 H new ATOM 0 HA MET A 18 -23.798 -46.188 27.763 1.00 0.00 H new ATOM 0 HB2 MET A 18 -22.172 -47.290 25.447 1.00 0.00 H new ATOM 0 HB3 MET A 18 -21.820 -45.693 26.076 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.437 -46.889 27.488 1.00 0.00 H new ATOM 0 HG3 MET A 18 -21.906 -47.023 28.435 1.00 0.00 H new ATOM 0 HE1 MET A 18 -19.667 -50.304 26.248 1.00 0.00 H new ATOM 0 HE2 MET A 18 -19.886 -48.705 25.498 1.00 0.00 H new ATOM 0 HE3 MET A 18 -19.048 -48.847 27.061 1.00 0.00 H new ATOM 40 N LYS A 19 -23.889 -44.171 26.075 1.00 0.00 N ATOM 41 CA LYS A 19 -24.395 -43.034 25.327 1.00 0.00 C ATOM 42 C LYS A 19 -23.223 -42.279 24.697 1.00 0.00 C ATOM 43 O LYS A 19 -23.018 -42.340 23.485 1.00 0.00 O ATOM 44 CB LYS A 19 -25.283 -42.160 26.215 1.00 0.00 C ATOM 45 CG LYS A 19 -26.593 -42.874 26.554 1.00 0.00 C ATOM 46 CD LYS A 19 -27.584 -42.782 25.392 1.00 0.00 C ATOM 47 CE LYS A 19 -29.027 -42.821 25.899 1.00 0.00 C ATOM 48 NZ LYS A 19 -29.761 -41.609 25.470 1.00 0.00 N ATOM 0 H LYS A 19 -23.171 -43.943 26.763 1.00 0.00 H new ATOM 0 HA LYS A 19 -25.033 -43.371 24.510 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.752 -41.912 27.134 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -25.498 -41.220 25.707 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -26.392 -43.920 26.783 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -27.032 -42.430 27.447 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -27.414 -41.859 24.837 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -27.416 -43.607 24.699 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -29.528 -43.711 25.518 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -29.035 -42.892 26.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -30.738 -41.652 25.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -29.291 -40.764 25.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -29.770 -41.558 24.431 1.00 0.00 H new ATOM 58 N GLU A 20 -22.481 -41.584 25.548 1.00 0.00 N ATOM 59 CA GLU A 20 -21.334 -40.819 25.091 1.00 0.00 C ATOM 60 C GLU A 20 -21.764 -39.800 24.033 1.00 0.00 C ATOM 61 O GLU A 20 -21.949 -40.149 22.869 1.00 0.00 O ATOM 62 CB GLU A 20 -20.239 -41.742 24.550 1.00 0.00 C ATOM 63 CG GLU A 20 -19.114 -41.913 25.570 1.00 0.00 C ATOM 64 CD GLU A 20 -18.727 -43.386 25.720 1.00 0.00 C ATOM 65 OE1 GLU A 20 -19.568 -44.142 26.251 1.00 0.00 O ATOM 66 OE2 GLU A 20 -17.599 -43.722 25.298 1.00 0.00 O ATOM 0 H GLU A 20 -22.653 -41.535 26.552 1.00 0.00 H new ATOM 0 HA GLU A 20 -20.920 -40.278 25.942 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -20.666 -42.715 24.307 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.836 -41.331 23.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.244 -41.335 25.257 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.430 -41.517 26.535 1.00 0.00 H new ATOM 71 N THR A 21 -21.909 -38.560 24.478 1.00 0.00 N ATOM 72 CA THR A 21 -22.313 -37.488 23.585 1.00 0.00 C ATOM 73 C THR A 21 -21.567 -36.197 23.929 1.00 0.00 C ATOM 74 O THR A 21 -21.421 -35.854 25.101 1.00 0.00 O ATOM 75 CB THR A 21 -23.835 -37.350 23.669 1.00 0.00 C ATOM 76 OG1 THR A 21 -24.144 -36.332 22.722 1.00 0.00 O ATOM 77 CG2 THR A 21 -24.297 -36.768 25.007 1.00 0.00 C ATOM 0 H THR A 21 -21.754 -38.274 25.445 1.00 0.00 H new ATOM 0 HA THR A 21 -22.049 -37.714 22.552 1.00 0.00 H new ATOM 0 HB THR A 21 -24.297 -38.326 23.519 1.00 0.00 H new ATOM 0 HG1 THR A 21 -25.112 -36.179 22.710 1.00 0.00 H new ATOM 0 HG21 THR A 21 -25.384 -36.691 25.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.974 -37.420 25.818 1.00 0.00 H new ATOM 0 HG23 THR A 21 -23.862 -35.778 25.143 1.00 0.00 H new ATOM 85 N ALA A 22 -21.113 -35.519 22.885 1.00 0.00 N ATOM 86 CA ALA A 22 -20.385 -34.274 23.062 1.00 0.00 C ATOM 87 C ALA A 22 -21.026 -33.185 22.199 1.00 0.00 C ATOM 88 O ALA A 22 -21.943 -33.462 21.426 1.00 0.00 O ATOM 89 CB ALA A 22 -18.909 -34.493 22.723 1.00 0.00 C ATOM 0 H ALA A 22 -21.235 -35.808 21.914 1.00 0.00 H new ATOM 0 HA ALA A 22 -20.436 -33.944 24.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.363 -33.559 22.856 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -18.493 -35.254 23.384 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -18.818 -34.822 21.688 1.00 0.00 H new ATOM 95 N ALA A 23 -20.519 -31.972 22.359 1.00 0.00 N ATOM 96 CA ALA A 23 -21.031 -30.841 21.604 1.00 0.00 C ATOM 97 C ALA A 23 -20.072 -30.525 20.454 1.00 0.00 C ATOM 98 O ALA A 23 -19.048 -31.187 20.295 1.00 0.00 O ATOM 99 CB ALA A 23 -21.230 -29.649 22.542 1.00 0.00 C ATOM 0 H ALA A 23 -19.759 -31.747 23.001 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.002 -31.078 21.168 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.614 -28.801 21.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.942 -29.916 23.323 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.276 -29.380 22.996 1.00 0.00 H new ATOM 105 N ALA A 24 -20.438 -29.512 19.682 1.00 0.00 N ATOM 106 CA ALA A 24 -19.624 -29.101 18.551 1.00 0.00 C ATOM 107 C ALA A 24 -20.015 -27.681 18.137 1.00 0.00 C ATOM 108 O ALA A 24 -19.698 -26.717 18.833 1.00 0.00 O ATOM 109 CB ALA A 24 -19.787 -30.107 17.410 1.00 0.00 C ATOM 0 H ALA A 24 -21.287 -28.964 19.818 1.00 0.00 H new ATOM 0 HA ALA A 24 -18.569 -29.087 18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -19.176 -29.798 16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -19.468 -31.094 17.746 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -20.833 -30.148 17.107 1.00 0.00 H new ATOM 115 N LYS A 25 -20.699 -27.595 17.006 1.00 0.00 N ATOM 116 CA LYS A 25 -21.136 -26.310 16.491 1.00 0.00 C ATOM 117 C LYS A 25 -20.014 -25.284 16.670 1.00 0.00 C ATOM 118 O LYS A 25 -18.858 -25.654 16.867 1.00 0.00 O ATOM 119 CB LYS A 25 -22.459 -25.895 17.139 1.00 0.00 C ATOM 120 CG LYS A 25 -22.235 -25.391 18.565 1.00 0.00 C ATOM 121 CD LYS A 25 -22.639 -26.452 19.592 1.00 0.00 C ATOM 122 CE LYS A 25 -21.979 -26.184 20.946 1.00 0.00 C ATOM 123 NZ LYS A 25 -22.431 -24.887 21.496 1.00 0.00 N ATOM 0 H LYS A 25 -20.961 -28.396 16.431 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.338 -26.377 15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.931 -25.114 16.543 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.144 -26.743 17.152 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.186 -25.129 18.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.814 -24.482 18.729 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.723 -26.458 19.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.351 -27.440 19.232 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.225 -26.986 21.642 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.895 -26.180 20.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.097 -24.790 22.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.045 -24.112 20.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.470 -24.846 21.479 1.00 0.00 H new ATOM 133 N PHE A 26 -20.396 -24.018 16.597 1.00 0.00 N ATOM 134 CA PHE A 26 -19.437 -22.937 16.749 1.00 0.00 C ATOM 135 C PHE A 26 -20.138 -21.576 16.731 1.00 0.00 C ATOM 136 O PHE A 26 -21.364 -21.506 16.656 1.00 0.00 O ATOM 137 CB PHE A 26 -18.478 -23.020 15.560 1.00 0.00 C ATOM 138 CG PHE A 26 -17.228 -23.861 15.827 1.00 0.00 C ATOM 139 CD1 PHE A 26 -16.368 -23.505 16.818 1.00 0.00 C ATOM 140 CD2 PHE A 26 -16.977 -24.965 15.073 1.00 0.00 C ATOM 141 CE1 PHE A 26 -15.208 -24.286 17.066 1.00 0.00 C ATOM 142 CE2 PHE A 26 -15.818 -25.746 15.320 1.00 0.00 C ATOM 143 CZ PHE A 26 -14.957 -25.391 16.312 1.00 0.00 C ATOM 0 H PHE A 26 -21.357 -23.716 16.435 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.914 -23.034 17.701 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.010 -23.439 14.706 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.172 -22.011 15.282 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.567 -22.628 17.417 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.660 -25.247 14.286 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.525 -24.003 17.853 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.619 -26.622 14.721 1.00 0.00 H new ATOM 0 HZ PHE A 26 -14.075 -25.985 16.501 1.00 0.00 H new ATOM 152 N GLU A 27 -19.328 -20.530 16.800 1.00 0.00 N ATOM 153 CA GLU A 27 -19.854 -19.175 16.792 1.00 0.00 C ATOM 154 C GLU A 27 -18.971 -18.269 15.934 1.00 0.00 C ATOM 155 O GLU A 27 -17.785 -18.539 15.755 1.00 0.00 O ATOM 156 CB GLU A 27 -19.982 -18.629 18.215 1.00 0.00 C ATOM 157 CG GLU A 27 -21.389 -18.083 18.470 1.00 0.00 C ATOM 158 CD GLU A 27 -21.428 -17.243 19.748 1.00 0.00 C ATOM 159 OE1 GLU A 27 -21.097 -17.811 20.810 1.00 0.00 O ATOM 160 OE2 GLU A 27 -21.790 -16.051 19.633 1.00 0.00 O ATOM 0 H GLU A 27 -18.312 -20.593 16.862 1.00 0.00 H new ATOM 0 HA GLU A 27 -20.852 -19.195 16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -19.759 -19.419 18.932 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -19.248 -17.839 18.372 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -21.707 -17.476 17.622 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -22.094 -18.910 18.552 1.00 0.00 H new ATOM 165 N ARG A 28 -19.583 -17.209 15.425 1.00 0.00 N ATOM 166 CA ARG A 28 -18.868 -16.260 14.589 1.00 0.00 C ATOM 167 C ARG A 28 -18.798 -14.895 15.276 1.00 0.00 C ATOM 168 O ARG A 28 -19.706 -14.522 16.017 1.00 0.00 O ATOM 169 CB ARG A 28 -19.548 -16.103 13.227 1.00 0.00 C ATOM 170 CG ARG A 28 -19.189 -17.266 12.298 1.00 0.00 C ATOM 171 CD ARG A 28 -18.257 -16.803 11.177 1.00 0.00 C ATOM 172 NE ARG A 28 -19.029 -16.075 10.146 1.00 0.00 N ATOM 173 CZ ARG A 28 -18.603 -15.872 8.891 1.00 0.00 C ATOM 174 NH1 ARG A 28 -17.410 -16.342 8.505 1.00 0.00 N ATOM 175 NH2 ARG A 28 -19.371 -15.199 8.023 1.00 0.00 N ATOM 0 H ARG A 28 -20.567 -16.987 15.576 1.00 0.00 H new ATOM 0 HA ARG A 28 -17.860 -16.647 14.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -20.629 -16.059 13.359 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -19.244 -15.161 12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -18.709 -18.059 12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.098 -17.688 11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -17.478 -16.158 11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -17.757 -17.662 10.730 1.00 0.00 H new ATOM 0 HE ARG A 28 -19.943 -15.704 10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.826 -16.854 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.086 -16.188 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -20.280 -14.841 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.047 -15.045 7.068 1.00 0.00 H new ATOM 186 N GLN A 29 -17.711 -14.187 15.005 1.00 0.00 N ATOM 187 CA GLN A 29 -17.511 -12.871 15.589 1.00 0.00 C ATOM 188 C GLN A 29 -17.368 -11.818 14.488 1.00 0.00 C ATOM 189 O GLN A 29 -18.090 -10.822 14.479 1.00 0.00 O ATOM 190 CB GLN A 29 -16.295 -12.862 16.518 1.00 0.00 C ATOM 191 CG GLN A 29 -16.099 -11.483 17.151 1.00 0.00 C ATOM 192 CD GLN A 29 -14.613 -11.143 17.276 1.00 0.00 C ATOM 193 OE1 GLN A 29 -13.775 -11.991 17.536 1.00 0.00 O ATOM 194 NE2 GLN A 29 -14.333 -9.858 17.075 1.00 0.00 N ATOM 0 H GLN A 29 -16.960 -14.499 14.389 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.387 -12.624 16.189 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.425 -13.610 17.300 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.402 -13.139 15.957 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.599 -10.727 16.546 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.565 -11.462 18.136 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.083 -9.200 16.861 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.369 -9.531 17.135 1.00 0.00 H new ATOM 201 N HIS A 30 -16.432 -12.076 13.586 1.00 0.00 N ATOM 202 CA HIS A 30 -16.186 -11.162 12.483 1.00 0.00 C ATOM 203 C HIS A 30 -15.671 -9.828 13.026 1.00 0.00 C ATOM 204 O HIS A 30 -15.231 -9.748 14.171 1.00 0.00 O ATOM 205 CB HIS A 30 -17.437 -11.006 11.616 1.00 0.00 C ATOM 206 CG HIS A 30 -17.147 -10.826 10.145 1.00 0.00 C ATOM 207 ND1 HIS A 30 -18.071 -11.117 9.157 1.00 0.00 N ATOM 208 CD2 HIS A 30 -16.026 -10.381 9.505 1.00 0.00 C ATOM 209 CE1 HIS A 30 -17.521 -10.856 7.980 1.00 0.00 C ATOM 210 NE2 HIS A 30 -16.254 -10.401 8.198 1.00 0.00 N ATOM 0 H HIS A 30 -15.836 -12.903 13.596 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.413 -11.572 11.833 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -18.069 -11.885 11.746 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -18.008 -10.148 11.971 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.109 -10.066 9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.993 -10.982 7.017 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.591 -10.122 7.475 1.00 0.00 H new ATOM 217 N MET A 31 -15.745 -8.812 12.178 1.00 0.00 N ATOM 218 CA MET A 31 -15.291 -7.485 12.559 1.00 0.00 C ATOM 219 C MET A 31 -15.890 -6.417 11.641 1.00 0.00 C ATOM 220 O MET A 31 -16.582 -6.740 10.677 1.00 0.00 O ATOM 221 CB MET A 31 -13.765 -7.426 12.483 1.00 0.00 C ATOM 222 CG MET A 31 -13.144 -7.496 13.880 1.00 0.00 C ATOM 223 SD MET A 31 -13.155 -5.879 14.636 1.00 0.00 S ATOM 224 CE MET A 31 -12.061 -6.174 16.015 1.00 0.00 C ATOM 0 H MET A 31 -16.112 -8.881 11.229 1.00 0.00 H new ATOM 0 HA MET A 31 -15.620 -7.287 13.579 1.00 0.00 H new ATOM 0 HB2 MET A 31 -13.395 -8.252 11.875 1.00 0.00 H new ATOM 0 HB3 MET A 31 -13.457 -6.504 11.990 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.700 -8.200 14.499 1.00 0.00 H new ATOM 0 HG3 MET A 31 -12.122 -7.869 13.814 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.956 -5.259 16.598 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.475 -6.961 16.646 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.084 -6.483 15.644 1.00 0.00 H new ATOM 232 N ASP A 32 -15.603 -5.168 11.974 1.00 0.00 N ATOM 233 CA ASP A 32 -16.105 -4.051 11.192 1.00 0.00 C ATOM 234 C ASP A 32 -15.481 -2.751 11.708 1.00 0.00 C ATOM 235 O ASP A 32 -15.002 -2.696 12.839 1.00 0.00 O ATOM 236 CB ASP A 32 -17.624 -3.928 11.318 1.00 0.00 C ATOM 237 CG ASP A 32 -18.404 -4.198 10.030 1.00 0.00 C ATOM 238 OD1 ASP A 32 -17.736 -4.444 9.003 1.00 0.00 O ATOM 239 OD2 ASP A 32 -19.651 -4.153 10.101 1.00 0.00 O ATOM 0 H ASP A 32 -15.029 -4.904 12.775 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.843 -4.226 10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.967 -4.622 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.864 -2.924 11.667 1.00 0.00 H new ATOM 243 N SER A 33 -15.508 -1.740 10.853 1.00 0.00 N ATOM 244 CA SER A 33 -14.952 -0.446 11.209 1.00 0.00 C ATOM 245 C SER A 33 -15.919 0.668 10.805 1.00 0.00 C ATOM 246 O SER A 33 -16.695 0.512 9.864 1.00 0.00 O ATOM 247 CB SER A 33 -13.590 -0.230 10.545 1.00 0.00 C ATOM 248 OG SER A 33 -12.536 -0.851 11.277 1.00 0.00 O ATOM 0 H SER A 33 -15.906 -1.790 9.915 1.00 0.00 H new ATOM 0 HA SER A 33 -14.809 -0.422 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.613 -0.631 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.393 0.839 10.461 1.00 0.00 H new ATOM 0 HG SER A 33 -11.683 -0.692 10.821 1.00 0.00 H new ATOM 253 N PRO A 34 -15.841 1.799 11.559 1.00 0.00 N ATOM 254 CA PRO A 34 -16.701 2.938 11.289 1.00 0.00 C ATOM 255 C PRO A 34 -16.235 3.695 10.044 1.00 0.00 C ATOM 256 O PRO A 34 -15.477 3.160 9.235 1.00 0.00 O ATOM 257 CB PRO A 34 -16.642 3.782 12.553 1.00 0.00 C ATOM 258 CG PRO A 34 -15.397 3.329 13.299 1.00 0.00 C ATOM 259 CD PRO A 34 -14.935 2.020 12.681 1.00 0.00 C ATOM 0 HA PRO A 34 -17.727 2.647 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.588 4.844 12.312 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.535 3.638 13.161 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.613 4.083 13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.614 3.195 14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.899 2.084 12.347 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.988 1.202 13.400 1.00 0.00 H new ATOM 264 N ASP A 35 -16.708 4.927 9.927 1.00 0.00 N ATOM 265 CA ASP A 35 -16.349 5.762 8.793 1.00 0.00 C ATOM 266 C ASP A 35 -15.792 7.094 9.302 1.00 0.00 C ATOM 267 O ASP A 35 -16.344 7.688 10.227 1.00 0.00 O ATOM 268 CB ASP A 35 -17.571 6.062 7.923 1.00 0.00 C ATOM 269 CG ASP A 35 -18.464 4.857 7.624 1.00 0.00 C ATOM 270 OD1 ASP A 35 -17.970 3.943 6.929 1.00 0.00 O ATOM 271 OD2 ASP A 35 -19.621 4.876 8.097 1.00 0.00 O ATOM 0 H ASP A 35 -17.337 5.367 10.599 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.607 5.227 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.171 6.826 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.230 6.486 6.978 1.00 0.00 H new ATOM 275 N LEU A 36 -14.707 7.523 8.674 1.00 0.00 N ATOM 276 CA LEU A 36 -14.070 8.772 9.052 1.00 0.00 C ATOM 277 C LEU A 36 -14.662 9.913 8.222 1.00 0.00 C ATOM 278 O LEU A 36 -15.376 10.764 8.750 1.00 0.00 O ATOM 279 CB LEU A 36 -12.548 8.654 8.937 1.00 0.00 C ATOM 280 CG LEU A 36 -11.779 8.592 10.258 1.00 0.00 C ATOM 281 CD1 LEU A 36 -11.931 7.220 10.918 1.00 0.00 C ATOM 282 CD2 LEU A 36 -10.310 8.972 10.056 1.00 0.00 C ATOM 0 H LEU A 36 -14.253 7.028 7.906 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.271 9.000 10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.315 7.758 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.180 9.505 8.364 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.211 9.326 10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.375 7.203 11.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.985 7.027 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.542 6.450 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.786 8.920 11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.849 8.281 9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.247 9.987 9.663 1.00 0.00 H new ATOM 293 N GLY A 37 -14.344 9.893 6.936 1.00 0.00 N ATOM 294 CA GLY A 37 -14.836 10.915 6.028 1.00 0.00 C ATOM 295 C GLY A 37 -14.404 12.310 6.486 1.00 0.00 C ATOM 296 O GLY A 37 -13.289 12.490 6.973 1.00 0.00 O ATOM 0 H GLY A 37 -13.752 9.185 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.459 10.725 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -15.924 10.866 5.975 1.00 0.00 H new ATOM 300 N THR A 38 -15.310 13.261 6.314 1.00 0.00 N ATOM 301 CA THR A 38 -15.037 14.634 6.704 1.00 0.00 C ATOM 302 C THR A 38 -13.828 15.175 5.939 1.00 0.00 C ATOM 303 O THR A 38 -12.710 15.171 6.453 1.00 0.00 O ATOM 304 CB THR A 38 -14.860 14.668 8.223 1.00 0.00 C ATOM 305 OG1 THR A 38 -16.187 14.556 8.730 1.00 0.00 O ATOM 306 CG2 THR A 38 -14.382 16.031 8.727 1.00 0.00 C ATOM 0 H THR A 38 -16.234 13.108 5.910 1.00 0.00 H new ATOM 0 HA THR A 38 -15.867 15.291 6.445 1.00 0.00 H new ATOM 0 HB THR A 38 -14.146 13.900 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 38 -16.165 14.568 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 38 -14.273 16.000 9.811 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.421 16.271 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.111 16.795 8.457 1.00 0.00 H new ATOM 314 N THR A 39 -14.092 15.628 4.722 1.00 0.00 N ATOM 315 CA THR A 39 -13.039 16.171 3.881 1.00 0.00 C ATOM 316 C THR A 39 -11.997 15.095 3.568 1.00 0.00 C ATOM 317 O THR A 39 -11.245 14.681 4.449 1.00 0.00 O ATOM 318 CB THR A 39 -12.454 17.396 4.587 1.00 0.00 C ATOM 319 OG1 THR A 39 -13.415 18.422 4.354 1.00 0.00 O ATOM 320 CG2 THR A 39 -11.184 17.913 3.908 1.00 0.00 C ATOM 0 H THR A 39 -15.020 15.630 4.298 1.00 0.00 H new ATOM 0 HA THR A 39 -13.430 16.490 2.915 1.00 0.00 H new ATOM 0 HB THR A 39 -12.234 17.146 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.116 19.253 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.810 18.782 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.425 17.130 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.410 18.195 2.880 1.00 0.00 H new ATOM 328 N LEU A 40 -11.988 14.673 2.312 1.00 0.00 N ATOM 329 CA LEU A 40 -11.050 13.653 1.873 1.00 0.00 C ATOM 330 C LEU A 40 -9.682 13.916 2.507 1.00 0.00 C ATOM 331 O LEU A 40 -9.307 15.068 2.724 1.00 0.00 O ATOM 332 CB LEU A 40 -11.016 13.580 0.346 1.00 0.00 C ATOM 333 CG LEU A 40 -10.476 14.817 -0.374 1.00 0.00 C ATOM 334 CD1 LEU A 40 -9.345 14.444 -1.334 1.00 0.00 C ATOM 335 CD2 LEU A 40 -11.601 15.576 -1.081 1.00 0.00 C ATOM 0 H LEU A 40 -12.615 15.018 1.585 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.373 12.668 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.409 12.722 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.028 13.389 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.055 15.489 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.980 15.342 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.531 13.982 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.717 13.741 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.189 16.451 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.074 14.924 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.342 15.895 -0.348 1.00 0.00 H new ATOM 346 N LEU A 41 -8.977 12.831 2.785 1.00 0.00 N ATOM 347 CA LEU A 41 -7.658 12.930 3.390 1.00 0.00 C ATOM 348 C LEU A 41 -6.666 12.095 2.579 1.00 0.00 C ATOM 349 O LEU A 41 -5.524 11.904 2.994 1.00 0.00 O ATOM 350 CB LEU A 41 -7.718 12.548 4.870 1.00 0.00 C ATOM 351 CG LEU A 41 -8.935 13.057 5.646 1.00 0.00 C ATOM 352 CD1 LEU A 41 -9.280 12.117 6.802 1.00 0.00 C ATOM 353 CD2 LEU A 41 -8.719 14.496 6.121 1.00 0.00 C ATOM 0 H LEU A 41 -9.293 11.878 2.603 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.303 13.960 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.693 11.461 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.818 12.922 5.358 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.792 13.066 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.148 12.502 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.506 11.125 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.432 12.053 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.598 14.834 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.847 14.537 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.558 15.143 5.259 1.00 0.00 H new ATOM 364 N GLU A 42 -7.138 11.617 1.436 1.00 0.00 N ATOM 365 CA GLU A 42 -6.307 10.807 0.563 1.00 0.00 C ATOM 366 C GLU A 42 -6.040 11.544 -0.751 1.00 0.00 C ATOM 367 O GLU A 42 -5.601 10.939 -1.728 1.00 0.00 O ATOM 368 CB GLU A 42 -6.948 9.442 0.307 1.00 0.00 C ATOM 369 CG GLU A 42 -8.177 9.575 -0.597 1.00 0.00 C ATOM 370 CD GLU A 42 -9.420 8.994 0.080 1.00 0.00 C ATOM 371 OE1 GLU A 42 -10.074 9.762 0.818 1.00 0.00 O ATOM 372 OE2 GLU A 42 -9.688 7.797 -0.156 1.00 0.00 O ATOM 0 H GLU A 42 -8.086 11.776 1.095 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.352 10.635 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.221 8.776 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.237 8.988 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.346 10.625 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.997 9.059 -1.540 1.00 0.00 H new ATOM 377 N GLN A 43 -6.319 12.839 -0.733 1.00 0.00 N ATOM 378 CA GLN A 43 -6.115 13.665 -1.911 1.00 0.00 C ATOM 379 C GLN A 43 -6.811 13.042 -3.123 1.00 0.00 C ATOM 380 O GLN A 43 -7.390 11.960 -3.023 1.00 0.00 O ATOM 381 CB GLN A 43 -4.624 13.873 -2.184 1.00 0.00 C ATOM 382 CG GLN A 43 -3.970 14.682 -1.061 1.00 0.00 C ATOM 383 CD GLN A 43 -4.625 16.058 -0.924 1.00 0.00 C ATOM 384 OE1 GLN A 43 -4.284 17.007 -1.613 1.00 0.00 O ATOM 385 NE2 GLN A 43 -5.578 16.114 0.000 1.00 0.00 N ATOM 0 H GLN A 43 -6.685 13.337 0.079 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.557 14.644 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.129 12.906 -2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.493 14.391 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.055 14.139 -0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.906 14.800 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.813 15.282 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -6.074 16.989 0.168 1.00 0.00 H new ATOM 392 N TYR A 44 -6.733 13.750 -4.239 1.00 0.00 N ATOM 393 CA TYR A 44 -7.349 13.281 -5.469 1.00 0.00 C ATOM 394 C TYR A 44 -6.364 12.447 -6.292 1.00 0.00 C ATOM 395 O TYR A 44 -5.879 12.898 -7.328 1.00 0.00 O ATOM 396 CB TYR A 44 -7.721 14.536 -6.260 1.00 0.00 C ATOM 397 CG TYR A 44 -9.132 15.056 -5.974 1.00 0.00 C ATOM 398 CD1 TYR A 44 -9.413 15.655 -4.763 1.00 0.00 C ATOM 399 CD2 TYR A 44 -10.122 14.926 -6.926 1.00 0.00 C ATOM 400 CE1 TYR A 44 -10.740 16.145 -4.494 1.00 0.00 C ATOM 401 CE2 TYR A 44 -11.449 15.416 -6.656 1.00 0.00 C ATOM 402 CZ TYR A 44 -11.692 16.001 -5.453 1.00 0.00 C ATOM 403 OH TYR A 44 -12.946 16.463 -5.199 1.00 0.00 O ATOM 0 H TYR A 44 -6.252 14.646 -4.318 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.213 12.654 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.002 15.323 -6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.633 14.321 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.638 15.756 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.902 14.457 -7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.974 16.617 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.233 15.321 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.521 16.293 -5.974 1.00 0.00 H new ATOM 412 N CYS A 45 -6.099 11.246 -5.799 1.00 0.00 N ATOM 413 CA CYS A 45 -5.180 10.347 -6.476 1.00 0.00 C ATOM 414 C CYS A 45 -5.665 10.158 -7.915 1.00 0.00 C ATOM 415 O CYS A 45 -4.894 10.319 -8.859 1.00 0.00 O ATOM 416 CB CYS A 45 -5.050 9.012 -5.738 1.00 0.00 C ATOM 417 SG CYS A 45 -3.396 8.686 -5.026 1.00 0.00 S ATOM 0 H CYS A 45 -6.504 10.875 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.181 10.782 -6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.787 8.983 -4.936 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.298 8.206 -6.428 1.00 0.00 H new ATOM 421 N HIS A 46 -6.940 9.820 -8.036 1.00 0.00 N ATOM 422 CA HIS A 46 -7.537 9.608 -9.344 1.00 0.00 C ATOM 423 C HIS A 46 -7.465 10.902 -10.157 1.00 0.00 C ATOM 424 O HIS A 46 -6.624 11.760 -9.892 1.00 0.00 O ATOM 425 CB HIS A 46 -8.964 9.071 -9.210 1.00 0.00 C ATOM 426 CG HIS A 46 -9.998 10.137 -8.939 1.00 0.00 C ATOM 427 ND1 HIS A 46 -10.244 10.638 -7.674 1.00 0.00 N ATOM 428 CD2 HIS A 46 -10.847 10.789 -9.784 1.00 0.00 C ATOM 429 CE1 HIS A 46 -11.199 11.552 -7.764 1.00 0.00 C ATOM 430 NE2 HIS A 46 -11.572 11.644 -9.073 1.00 0.00 N ATOM 0 H HIS A 46 -7.576 9.688 -7.250 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.974 8.848 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.231 8.545 -10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.992 8.339 -8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.918 10.636 -10.851 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.610 12.124 -6.945 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -12.289 12.267 -9.444 1.00 0.00 H new ATOM 437 N ARG A 47 -8.358 11.002 -11.130 1.00 0.00 N ATOM 438 CA ARG A 47 -8.407 12.177 -11.983 1.00 0.00 C ATOM 439 C ARG A 47 -9.748 12.896 -11.821 1.00 0.00 C ATOM 440 O ARG A 47 -9.918 13.703 -10.909 1.00 0.00 O ATOM 441 CB ARG A 47 -8.212 11.799 -13.453 1.00 0.00 C ATOM 442 CG ARG A 47 -8.702 10.376 -13.722 1.00 0.00 C ATOM 443 CD ARG A 47 -7.656 9.345 -13.292 1.00 0.00 C ATOM 444 NE ARG A 47 -6.923 8.844 -14.475 1.00 0.00 N ATOM 445 CZ ARG A 47 -5.883 8.001 -14.413 1.00 0.00 C ATOM 446 NH1 ARG A 47 -5.448 7.560 -13.224 1.00 0.00 N ATOM 447 NH2 ARG A 47 -5.278 7.598 -15.538 1.00 0.00 N ATOM 0 H ARG A 47 -9.054 10.288 -11.347 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.597 12.841 -11.680 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.754 12.500 -14.088 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.157 11.880 -13.716 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.633 10.201 -13.184 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.920 10.257 -14.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.959 9.795 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.141 8.516 -12.777 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.228 9.160 -15.396 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.909 7.866 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.657 6.918 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.609 7.933 -16.443 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.487 6.956 -15.490 1.00 0.00 H new ATOM 458 N THR A 48 -10.667 12.577 -12.721 1.00 0.00 N ATOM 459 CA THR A 48 -11.987 13.181 -12.690 1.00 0.00 C ATOM 460 C THR A 48 -12.755 12.851 -13.971 1.00 0.00 C ATOM 461 O THR A 48 -12.304 13.169 -15.070 1.00 0.00 O ATOM 462 CB THR A 48 -11.814 14.683 -12.455 1.00 0.00 C ATOM 463 OG1 THR A 48 -13.021 15.254 -12.954 1.00 0.00 O ATOM 464 CG2 THR A 48 -10.722 15.292 -13.339 1.00 0.00 C ATOM 0 H THR A 48 -10.522 11.907 -13.477 1.00 0.00 H new ATOM 0 HA THR A 48 -12.588 12.777 -11.875 1.00 0.00 H new ATOM 0 HB THR A 48 -11.575 14.861 -11.407 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.994 16.227 -12.840 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.640 16.359 -13.133 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.769 14.807 -13.126 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.978 15.144 -14.388 1.00 0.00 H new ATOM 472 N THR A 49 -13.905 12.217 -13.787 1.00 0.00 N ATOM 473 CA THR A 49 -14.740 11.840 -14.915 1.00 0.00 C ATOM 474 C THR A 49 -16.086 11.302 -14.425 1.00 0.00 C ATOM 475 O THR A 49 -16.669 10.417 -15.049 1.00 0.00 O ATOM 476 CB THR A 49 -13.959 10.838 -15.768 1.00 0.00 C ATOM 477 OG1 THR A 49 -14.449 11.050 -17.088 1.00 0.00 O ATOM 478 CG2 THR A 49 -14.336 9.388 -15.459 1.00 0.00 C ATOM 0 H THR A 49 -14.277 11.955 -12.874 1.00 0.00 H new ATOM 0 HA THR A 49 -14.977 12.703 -15.538 1.00 0.00 H new ATOM 0 HB THR A 49 -12.890 10.978 -15.605 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.994 10.442 -17.707 1.00 0.00 H new ATOM 0 HG21 THR A 49 -13.753 8.718 -16.091 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.126 9.173 -14.411 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.398 9.239 -15.654 1.00 0.00 H new ATOM 486 N ILE A 50 -16.540 11.860 -13.312 1.00 0.00 N ATOM 487 CA ILE A 50 -17.806 11.447 -12.731 1.00 0.00 C ATOM 488 C ILE A 50 -18.317 12.546 -11.798 1.00 0.00 C ATOM 489 O ILE A 50 -17.526 13.289 -11.218 1.00 0.00 O ATOM 490 CB ILE A 50 -17.666 10.082 -12.054 1.00 0.00 C ATOM 491 CG1 ILE A 50 -19.037 9.488 -11.728 1.00 0.00 C ATOM 492 CG2 ILE A 50 -16.772 10.173 -10.816 1.00 0.00 C ATOM 493 CD1 ILE A 50 -18.913 8.024 -11.299 1.00 0.00 C ATOM 0 H ILE A 50 -16.054 12.594 -12.798 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.557 11.315 -13.510 1.00 0.00 H new ATOM 0 HB ILE A 50 -17.179 9.403 -12.754 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.507 10.065 -10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -19.686 9.561 -12.601 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.689 9.189 -10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.781 10.521 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -17.208 10.873 -10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -19.902 7.626 -11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -18.465 7.445 -12.106 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.284 7.957 -10.412 1.00 0.00 H new ATOM 504 N GLY A 51 -19.635 12.616 -11.683 1.00 0.00 N ATOM 505 CA GLY A 51 -20.260 13.613 -10.830 1.00 0.00 C ATOM 506 C GLY A 51 -21.405 14.318 -11.560 1.00 0.00 C ATOM 507 O GLY A 51 -22.557 14.242 -11.134 1.00 0.00 O ATOM 0 H GLY A 51 -20.287 11.999 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.639 13.137 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.517 14.347 -10.517 1.00 0.00 H new ATOM 511 N ASN A 52 -21.048 14.986 -12.646 1.00 0.00 N ATOM 512 CA ASN A 52 -22.032 15.704 -13.439 1.00 0.00 C ATOM 513 C ASN A 52 -22.165 15.035 -14.808 1.00 0.00 C ATOM 514 O ASN A 52 -23.110 15.306 -15.547 1.00 0.00 O ATOM 515 CB ASN A 52 -21.605 17.156 -13.663 1.00 0.00 C ATOM 516 CG ASN A 52 -20.385 17.233 -14.583 1.00 0.00 C ATOM 517 OD1 ASN A 52 -19.249 17.093 -14.163 1.00 0.00 O ATOM 518 ND2 ASN A 52 -20.683 17.464 -15.858 1.00 0.00 N ATOM 0 H ASN A 52 -20.092 15.046 -12.996 1.00 0.00 H new ATOM 0 HA ASN A 52 -22.979 15.685 -12.899 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -22.430 17.718 -14.100 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.373 17.622 -12.706 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.938 17.534 -16.551 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.657 17.571 -16.143 1.00 0.00 H new ATOM 524 N PHE A 53 -21.205 14.171 -15.104 1.00 0.00 N ATOM 525 CA PHE A 53 -21.203 13.460 -16.372 1.00 0.00 C ATOM 526 C PHE A 53 -20.200 12.303 -16.350 1.00 0.00 C ATOM 527 O PHE A 53 -19.269 12.301 -15.547 1.00 0.00 O ATOM 528 CB PHE A 53 -20.783 14.463 -17.447 1.00 0.00 C ATOM 529 CG PHE A 53 -19.270 14.568 -17.644 1.00 0.00 C ATOM 530 CD1 PHE A 53 -18.523 15.311 -16.784 1.00 0.00 C ATOM 531 CD2 PHE A 53 -18.672 13.920 -18.679 1.00 0.00 C ATOM 532 CE1 PHE A 53 -17.117 15.408 -16.966 1.00 0.00 C ATOM 533 CE2 PHE A 53 -17.267 14.017 -18.862 1.00 0.00 C ATOM 534 CZ PHE A 53 -16.519 14.760 -18.001 1.00 0.00 C ATOM 0 H PHE A 53 -20.423 13.947 -14.488 1.00 0.00 H new ATOM 0 HA PHE A 53 -22.192 13.045 -16.568 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -21.243 14.179 -18.393 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -21.174 15.446 -17.184 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.998 15.827 -15.963 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.266 13.331 -19.362 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.523 15.996 -16.282 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.792 13.502 -19.684 1.00 0.00 H new ATOM 0 HZ PHE A 53 -15.451 14.835 -18.140 1.00 0.00 H new ATOM 543 N SER A 54 -20.426 11.352 -17.242 1.00 0.00 N ATOM 544 CA SER A 54 -19.553 10.193 -17.336 1.00 0.00 C ATOM 545 C SER A 54 -19.645 9.364 -16.053 1.00 0.00 C ATOM 546 O SER A 54 -19.410 9.878 -14.960 1.00 0.00 O ATOM 547 CB SER A 54 -18.106 10.613 -17.595 1.00 0.00 C ATOM 548 OG SER A 54 -17.781 10.585 -18.982 1.00 0.00 O ATOM 0 H SER A 54 -21.200 11.359 -17.906 1.00 0.00 H new ATOM 0 HA SER A 54 -19.881 9.584 -18.178 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.945 11.618 -17.205 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.433 9.949 -17.052 1.00 0.00 H new ATOM 0 HG SER A 54 -17.614 11.498 -19.297 1.00 0.00 H new ATOM 553 N GLY A 55 -19.986 8.096 -16.229 1.00 0.00 N ATOM 554 CA GLY A 55 -20.110 7.191 -15.098 1.00 0.00 C ATOM 555 C GLY A 55 -19.415 5.858 -15.383 1.00 0.00 C ATOM 556 O GLY A 55 -20.059 4.811 -15.415 1.00 0.00 O ATOM 0 H GLY A 55 -20.180 7.674 -17.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.674 7.650 -14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -21.164 7.017 -14.881 1.00 0.00 H new ATOM 560 N PRO A 56 -18.073 5.943 -15.590 1.00 0.00 N ATOM 561 CA PRO A 56 -17.282 4.757 -15.872 1.00 0.00 C ATOM 562 C PRO A 56 -17.070 3.926 -14.604 1.00 0.00 C ATOM 563 O PRO A 56 -17.551 4.289 -13.531 1.00 0.00 O ATOM 564 CB PRO A 56 -15.984 5.281 -16.462 1.00 0.00 C ATOM 565 CG PRO A 56 -15.904 6.745 -16.062 1.00 0.00 C ATOM 566 CD PRO A 56 -17.276 7.166 -15.561 1.00 0.00 C ATOM 0 HA PRO A 56 -17.775 4.078 -16.568 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.129 4.724 -16.079 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.976 5.172 -17.546 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.153 6.888 -15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.603 7.357 -16.912 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.220 7.578 -14.554 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.710 7.937 -16.197 1.00 0.00 H new ATOM 571 N TYR A 57 -16.348 2.827 -14.769 1.00 0.00 N ATOM 572 CA TYR A 57 -16.066 1.942 -13.651 1.00 0.00 C ATOM 573 C TYR A 57 -15.257 0.727 -14.106 1.00 0.00 C ATOM 574 O TYR A 57 -14.396 0.840 -14.978 1.00 0.00 O ATOM 575 CB TYR A 57 -17.427 1.469 -13.134 1.00 0.00 C ATOM 576 CG TYR A 57 -17.417 1.027 -11.670 1.00 0.00 C ATOM 577 CD1 TYR A 57 -16.221 0.918 -10.990 1.00 0.00 C ATOM 578 CD2 TYR A 57 -18.604 0.738 -11.028 1.00 0.00 C ATOM 579 CE1 TYR A 57 -16.211 0.502 -9.612 1.00 0.00 C ATOM 580 CE2 TYR A 57 -18.594 0.322 -9.649 1.00 0.00 C ATOM 581 CZ TYR A 57 -17.398 0.225 -9.009 1.00 0.00 C ATOM 582 OH TYR A 57 -17.389 -0.168 -7.707 1.00 0.00 O ATOM 0 H TYR A 57 -15.950 2.529 -15.660 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.486 2.460 -12.887 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.150 2.276 -13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.770 0.639 -13.751 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.292 1.145 -11.492 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -19.540 0.824 -11.559 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.282 0.412 -9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -19.516 0.092 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.308 -0.331 -7.408 1.00 0.00 H new ATOM 591 N THR A 58 -15.561 -0.410 -13.494 1.00 0.00 N ATOM 592 CA THR A 58 -14.871 -1.645 -13.826 1.00 0.00 C ATOM 593 C THR A 58 -13.358 -1.461 -13.699 1.00 0.00 C ATOM 594 O THR A 58 -12.586 -2.238 -14.259 1.00 0.00 O ATOM 595 CB THR A 58 -15.317 -2.074 -15.225 1.00 0.00 C ATOM 596 OG1 THR A 58 -16.679 -2.458 -15.053 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.625 -3.357 -15.691 1.00 0.00 C ATOM 0 H THR A 58 -16.275 -0.501 -12.771 1.00 0.00 H new ATOM 0 HA THR A 58 -15.129 -2.442 -13.129 1.00 0.00 H new ATOM 0 HB THR A 58 -15.112 -1.272 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.048 -2.749 -15.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.976 -3.618 -16.689 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.547 -3.200 -15.715 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.858 -4.168 -15.001 1.00 0.00 H new ATOM 605 N TYR A 59 -12.979 -0.429 -12.960 1.00 0.00 N ATOM 606 CA TYR A 59 -11.571 -0.133 -12.753 1.00 0.00 C ATOM 607 C TYR A 59 -11.210 -0.198 -11.268 1.00 0.00 C ATOM 608 O TYR A 59 -12.092 -0.193 -10.410 1.00 0.00 O ATOM 609 CB TYR A 59 -11.362 1.297 -13.254 1.00 0.00 C ATOM 610 CG TYR A 59 -10.641 1.384 -14.602 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.959 0.501 -15.613 1.00 0.00 C ATOM 612 CD2 TYR A 59 -9.674 2.348 -14.806 1.00 0.00 C ATOM 613 CE1 TYR A 59 -10.279 0.583 -16.880 1.00 0.00 C ATOM 614 CE2 TYR A 59 -8.996 2.430 -16.073 1.00 0.00 C ATOM 615 CZ TYR A 59 -9.333 1.544 -17.048 1.00 0.00 C ATOM 616 OH TYR A 59 -8.691 1.622 -18.245 1.00 0.00 O ATOM 0 H TYR A 59 -13.622 0.213 -12.497 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.946 -0.855 -13.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.332 1.787 -13.340 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.790 1.852 -12.511 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.717 -0.251 -15.455 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.426 3.040 -14.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.516 -0.104 -17.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.237 3.178 -16.245 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.042 2.356 -18.221 1.00 0.00 H new ATOM 625 N CYS A 60 -9.912 -0.257 -11.009 1.00 0.00 N ATOM 626 CA CYS A 60 -9.423 -0.322 -9.642 1.00 0.00 C ATOM 627 C CYS A 60 -9.696 1.025 -8.970 1.00 0.00 C ATOM 628 O CYS A 60 -9.464 2.078 -9.563 1.00 0.00 O ATOM 629 CB CYS A 60 -7.941 -0.698 -9.589 1.00 0.00 C ATOM 630 SG CYS A 60 -7.462 -2.087 -10.679 1.00 0.00 S ATOM 0 H CYS A 60 -9.184 -0.261 -11.723 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.949 -1.109 -9.101 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.349 0.177 -9.858 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.682 -0.955 -8.562 1.00 0.00 H new ATOM 634 N ASN A 61 -10.183 0.949 -7.741 1.00 0.00 N ATOM 635 CA ASN A 61 -10.489 2.150 -6.982 1.00 0.00 C ATOM 636 C ASN A 61 -9.226 2.630 -6.263 1.00 0.00 C ATOM 637 O ASN A 61 -8.348 1.829 -5.943 1.00 0.00 O ATOM 638 CB ASN A 61 -11.561 1.875 -5.924 1.00 0.00 C ATOM 639 CG ASN A 61 -11.754 3.088 -5.011 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.250 3.150 -3.902 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.511 4.047 -5.539 1.00 0.00 N ATOM 0 H ASN A 61 -10.373 0.075 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.855 2.905 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.504 1.629 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.275 1.008 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.700 4.898 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.903 3.931 -6.474 1.00 0.00 H new ATOM 647 N THR A 62 -9.176 3.932 -6.027 1.00 0.00 N ATOM 648 CA THR A 62 -8.036 4.527 -5.352 1.00 0.00 C ATOM 649 C THR A 62 -8.053 4.173 -3.864 1.00 0.00 C ATOM 650 O THR A 62 -9.072 4.334 -3.194 1.00 0.00 O ATOM 651 CB THR A 62 -8.062 6.034 -5.617 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.035 6.553 -4.776 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.339 6.697 -5.099 1.00 0.00 C ATOM 0 H THR A 62 -9.907 4.592 -6.291 1.00 0.00 H new ATOM 0 HA THR A 62 -7.097 4.130 -5.739 1.00 0.00 H new ATOM 0 HB THR A 62 -7.967 6.216 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.207 6.049 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.307 7.765 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.204 6.255 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.417 6.544 -4.023 1.00 0.00 H new ATOM 661 N THR A 63 -6.912 3.694 -3.389 1.00 0.00 N ATOM 662 CA THR A 63 -6.782 3.315 -1.993 1.00 0.00 C ATOM 663 C THR A 63 -5.311 3.103 -1.632 1.00 0.00 C ATOM 664 O THR A 63 -4.486 2.835 -2.504 1.00 0.00 O ATOM 665 CB THR A 63 -7.649 2.076 -1.757 1.00 0.00 C ATOM 666 OG1 THR A 63 -7.943 2.119 -0.363 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.869 0.772 -1.934 1.00 0.00 C ATOM 0 H THR A 63 -6.069 3.560 -3.947 1.00 0.00 H new ATOM 0 HA THR A 63 -7.135 4.108 -1.334 1.00 0.00 H new ATOM 0 HB THR A 63 -8.494 2.088 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.504 1.352 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.531 -0.075 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.476 0.718 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.043 0.743 -1.224 1.00 0.00 H new ATOM 675 N LEU A 64 -5.026 3.232 -0.344 1.00 0.00 N ATOM 676 CA LEU A 64 -3.668 3.059 0.143 1.00 0.00 C ATOM 677 C LEU A 64 -3.635 1.903 1.146 1.00 0.00 C ATOM 678 O LEU A 64 -4.665 1.532 1.706 1.00 0.00 O ATOM 679 CB LEU A 64 -3.128 4.375 0.704 1.00 0.00 C ATOM 680 CG LEU A 64 -3.992 5.056 1.768 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.235 5.691 1.141 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.351 4.079 2.890 1.00 0.00 C ATOM 0 H LEU A 64 -5.713 3.454 0.377 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.000 2.791 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.142 4.188 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.991 5.071 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.411 5.862 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.831 6.168 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.931 6.438 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.829 4.920 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.965 4.588 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.906 3.237 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.438 3.715 3.362 1.00 0.00 H new ATOM 693 N ASP A 65 -2.440 1.365 1.342 1.00 0.00 N ATOM 694 CA ASP A 65 -2.258 0.261 2.267 1.00 0.00 C ATOM 695 C ASP A 65 -1.036 0.532 3.145 1.00 0.00 C ATOM 696 O ASP A 65 -0.667 1.684 3.363 1.00 0.00 O ATOM 697 CB ASP A 65 -2.021 -1.052 1.517 1.00 0.00 C ATOM 698 CG ASP A 65 -2.647 -2.289 2.163 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.887 -2.414 2.065 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.872 -3.081 2.741 1.00 0.00 O ATOM 0 H ASP A 65 -1.588 1.674 0.875 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.162 0.174 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.414 -0.951 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.947 -1.212 1.427 1.00 0.00 H new ATOM 704 N GLN A 66 -0.440 -0.550 3.626 1.00 0.00 N ATOM 705 CA GLN A 66 0.734 -0.443 4.475 1.00 0.00 C ATOM 706 C GLN A 66 1.712 0.584 3.903 1.00 0.00 C ATOM 707 O GLN A 66 2.497 1.178 4.640 1.00 0.00 O ATOM 708 CB GLN A 66 1.410 -1.805 4.650 1.00 0.00 C ATOM 709 CG GLN A 66 1.518 -2.177 6.131 1.00 0.00 C ATOM 710 CD GLN A 66 0.141 -2.504 6.716 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.450 -3.535 6.440 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.332 -1.571 7.537 1.00 0.00 N ATOM 0 H GLN A 66 -0.749 -1.505 3.444 1.00 0.00 H new ATOM 0 HA GLN A 66 0.415 -0.102 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.840 -2.569 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.404 -1.782 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.180 -3.036 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.966 -1.352 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.216 -0.731 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.243 -1.695 7.980 1.00 0.00 H new ATOM 719 N ILE A 67 1.633 0.763 2.591 1.00 0.00 N ATOM 720 CA ILE A 67 2.501 1.709 1.912 1.00 0.00 C ATOM 721 C ILE A 67 1.725 2.997 1.631 1.00 0.00 C ATOM 722 O ILE A 67 0.939 3.059 0.688 1.00 0.00 O ATOM 723 CB ILE A 67 3.110 1.073 0.661 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.044 0.340 -0.156 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.282 0.159 1.025 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.596 -0.091 -1.517 1.00 0.00 C ATOM 0 H ILE A 67 0.981 0.269 1.982 1.00 0.00 H new ATOM 0 HA ILE A 67 3.344 1.977 2.549 1.00 0.00 H new ATOM 0 HB ILE A 67 3.507 1.870 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.698 -0.535 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.180 0.989 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.696 -0.280 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.053 0.740 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.933 -0.635 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.818 -0.610 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.919 0.789 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.444 -0.759 -1.370 1.00 0.00 H new ATOM 737 N GLY A 68 1.973 3.994 2.468 1.00 0.00 N ATOM 738 CA GLY A 68 1.307 5.277 2.322 1.00 0.00 C ATOM 739 C GLY A 68 1.077 5.610 0.847 1.00 0.00 C ATOM 740 O GLY A 68 0.054 6.196 0.491 1.00 0.00 O ATOM 0 H GLY A 68 2.626 3.939 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.352 5.257 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.909 6.058 2.785 1.00 0.00 H new ATOM 744 N THR A 69 2.044 5.224 0.028 1.00 0.00 N ATOM 745 CA THR A 69 1.959 5.473 -1.401 1.00 0.00 C ATOM 746 C THR A 69 0.540 5.203 -1.907 1.00 0.00 C ATOM 747 O THR A 69 0.176 4.056 -2.161 1.00 0.00 O ATOM 748 CB THR A 69 3.024 4.621 -2.095 1.00 0.00 C ATOM 749 OG1 THR A 69 2.960 5.029 -3.458 1.00 0.00 O ATOM 750 CG2 THR A 69 2.654 3.138 -2.132 1.00 0.00 C ATOM 0 H THR A 69 2.891 4.740 0.327 1.00 0.00 H new ATOM 0 HA THR A 69 2.159 6.519 -1.632 1.00 0.00 H new ATOM 0 HB THR A 69 3.978 4.744 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.620 4.527 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.443 2.579 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.538 2.766 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.717 3.010 -2.674 1.00 0.00 H new ATOM 758 N CYS A 70 -0.223 6.279 -2.037 1.00 0.00 N ATOM 759 CA CYS A 70 -1.593 6.173 -2.508 1.00 0.00 C ATOM 760 C CYS A 70 -1.566 5.701 -3.963 1.00 0.00 C ATOM 761 O CYS A 70 -0.750 6.169 -4.755 1.00 0.00 O ATOM 762 CB CYS A 70 -2.350 7.492 -2.349 1.00 0.00 C ATOM 763 SG CYS A 70 -3.905 7.606 -3.307 1.00 0.00 S ATOM 0 H CYS A 70 0.082 7.229 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.133 5.446 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.579 7.638 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.694 8.309 -2.649 1.00 0.00 H new ATOM 767 N TRP A 71 -2.468 4.781 -4.270 1.00 0.00 N ATOM 768 CA TRP A 71 -2.558 4.241 -5.616 1.00 0.00 C ATOM 769 C TRP A 71 -3.843 4.774 -6.255 1.00 0.00 C ATOM 770 O TRP A 71 -4.940 4.498 -5.772 1.00 0.00 O ATOM 771 CB TRP A 71 -2.488 2.714 -5.600 1.00 0.00 C ATOM 772 CG TRP A 71 -1.222 2.155 -4.946 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.027 1.850 -3.656 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.023 1.846 -5.607 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.248 1.370 -3.437 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.906 1.366 -4.661 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.390 1.967 -6.958 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.213 0.970 -4.966 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.700 1.567 -7.247 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.602 1.082 -6.306 1.00 0.00 C ATOM 0 H TRP A 71 -3.143 4.396 -3.610 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.709 4.565 -6.218 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.359 2.326 -5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.547 2.347 -6.625 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.774 1.965 -2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.636 1.073 -2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.285 2.339 -7.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.886 0.598 -4.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.033 1.640 -8.272 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.598 0.793 -6.608 1.00 0.00 H new ATOM 790 N PRO A 72 -3.659 5.548 -7.358 1.00 0.00 N ATOM 791 CA PRO A 72 -4.790 6.122 -8.066 1.00 0.00 C ATOM 792 C PRO A 72 -5.516 5.058 -8.891 1.00 0.00 C ATOM 793 O PRO A 72 -4.886 4.158 -9.446 1.00 0.00 O ATOM 794 CB PRO A 72 -4.198 7.232 -8.919 1.00 0.00 C ATOM 795 CG PRO A 72 -2.709 6.938 -9.011 1.00 0.00 C ATOM 796 CD PRO A 72 -2.373 5.896 -7.957 1.00 0.00 C ATOM 0 HA PRO A 72 -5.551 6.518 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.654 7.250 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.376 8.208 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.453 6.571 -10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.130 7.847 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.894 5.024 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.684 6.294 -7.212 1.00 0.00 H new ATOM 801 N GLN A 73 -6.833 5.195 -8.947 1.00 0.00 N ATOM 802 CA GLN A 73 -7.653 4.258 -9.696 1.00 0.00 C ATOM 803 C GLN A 73 -6.933 3.826 -10.974 1.00 0.00 C ATOM 804 O GLN A 73 -6.095 4.560 -11.497 1.00 0.00 O ATOM 805 CB GLN A 73 -9.023 4.859 -10.015 1.00 0.00 C ATOM 806 CG GLN A 73 -8.881 6.128 -10.857 1.00 0.00 C ATOM 807 CD GLN A 73 -8.627 5.785 -12.327 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.551 5.993 -12.862 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.676 5.250 -12.946 1.00 0.00 N ATOM 0 H GLN A 73 -7.353 5.941 -8.485 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.816 3.375 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.629 4.128 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.548 5.090 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.786 6.729 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.059 6.733 -10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.548 5.103 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.608 4.987 -13.929 1.00 0.00 H new ATOM 816 N SER A 74 -7.284 2.636 -11.441 1.00 0.00 N ATOM 817 CA SER A 74 -6.681 2.097 -12.647 1.00 0.00 C ATOM 818 C SER A 74 -7.616 1.069 -13.286 1.00 0.00 C ATOM 819 O SER A 74 -8.768 0.932 -12.875 1.00 0.00 O ATOM 820 CB SER A 74 -5.320 1.465 -12.349 1.00 0.00 C ATOM 821 OG SER A 74 -5.125 1.251 -10.954 1.00 0.00 O ATOM 0 H SER A 74 -7.979 2.030 -11.005 1.00 0.00 H new ATOM 0 HA SER A 74 -6.523 2.918 -13.346 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.238 0.515 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.529 2.111 -12.731 1.00 0.00 H new ATOM 0 HG SER A 74 -4.246 0.845 -10.805 1.00 0.00 H new ATOM 826 N ALA A 75 -7.086 0.370 -14.279 1.00 0.00 N ATOM 827 CA ALA A 75 -7.860 -0.643 -14.978 1.00 0.00 C ATOM 828 C ALA A 75 -7.588 -2.010 -14.347 1.00 0.00 C ATOM 829 O ALA A 75 -6.647 -2.164 -13.571 1.00 0.00 O ATOM 830 CB ALA A 75 -7.515 -0.609 -16.469 1.00 0.00 C ATOM 0 H ALA A 75 -6.130 0.485 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.928 -0.444 -14.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.095 -1.368 -16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.753 0.374 -16.875 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.452 -0.809 -16.601 1.00 0.00 H new ATOM 836 N PRO A 76 -8.453 -2.993 -14.715 1.00 0.00 N ATOM 837 CA PRO A 76 -8.316 -4.343 -14.194 1.00 0.00 C ATOM 838 C PRO A 76 -7.149 -5.073 -14.860 1.00 0.00 C ATOM 839 O PRO A 76 -6.808 -4.787 -16.008 1.00 0.00 O ATOM 840 CB PRO A 76 -9.659 -5.005 -14.458 1.00 0.00 C ATOM 841 CG PRO A 76 -10.336 -4.162 -15.526 1.00 0.00 C ATOM 842 CD PRO A 76 -9.579 -2.847 -15.632 1.00 0.00 C ATOM 0 HA PRO A 76 -8.080 -4.361 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.528 -6.033 -14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.261 -5.043 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.332 -4.683 -16.483 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.379 -3.982 -15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.239 -2.667 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.210 -2.003 -15.353 1.00 0.00 H new ATOM 847 N GLY A 77 -6.566 -5.999 -14.113 1.00 0.00 N ATOM 848 CA GLY A 77 -5.445 -6.773 -14.618 1.00 0.00 C ATOM 849 C GLY A 77 -4.409 -5.864 -15.282 1.00 0.00 C ATOM 850 O GLY A 77 -3.941 -6.151 -16.383 1.00 0.00 O ATOM 0 H GLY A 77 -6.849 -6.231 -13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.980 -7.324 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.802 -7.511 -15.337 1.00 0.00 H new ATOM 854 N ALA A 78 -4.080 -4.785 -14.586 1.00 0.00 N ATOM 855 CA ALA A 78 -3.108 -3.833 -15.095 1.00 0.00 C ATOM 856 C ALA A 78 -1.761 -4.071 -14.409 1.00 0.00 C ATOM 857 O ALA A 78 -0.747 -3.501 -14.810 1.00 0.00 O ATOM 858 CB ALA A 78 -3.627 -2.410 -14.882 1.00 0.00 C ATOM 0 H ALA A 78 -4.470 -4.549 -13.673 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.962 -3.969 -16.166 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.898 -1.696 -15.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.571 -2.284 -15.413 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.783 -2.235 -13.817 1.00 0.00 H new ATOM 864 N LEU A 79 -1.793 -4.914 -13.387 1.00 0.00 N ATOM 865 CA LEU A 79 -0.587 -5.233 -12.642 1.00 0.00 C ATOM 866 C LEU A 79 0.258 -3.968 -12.481 1.00 0.00 C ATOM 867 O LEU A 79 1.102 -3.669 -13.325 1.00 0.00 O ATOM 868 CB LEU A 79 0.160 -6.392 -13.304 1.00 0.00 C ATOM 869 CG LEU A 79 0.616 -7.516 -12.372 1.00 0.00 C ATOM 870 CD1 LEU A 79 -0.379 -8.678 -12.385 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.036 -7.972 -12.717 1.00 0.00 C ATOM 0 H LEU A 79 -2.635 -5.386 -13.058 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.839 -5.578 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.484 -6.822 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.037 -5.990 -13.812 1.00 0.00 H new ATOM 0 HG LEU A 79 0.641 -7.127 -11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.030 -9.463 -11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.355 -8.325 -12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.461 -9.075 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.336 -8.772 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.061 -8.337 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.723 -7.132 -12.614 1.00 0.00 H new ATOM 882 N VAL A 80 0.004 -3.259 -11.391 1.00 0.00 N ATOM 883 CA VAL A 80 0.731 -2.033 -11.108 1.00 0.00 C ATOM 884 C VAL A 80 2.122 -2.382 -10.578 1.00 0.00 C ATOM 885 O VAL A 80 2.462 -2.040 -9.445 1.00 0.00 O ATOM 886 CB VAL A 80 -0.074 -1.156 -10.147 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.804 -0.064 -9.536 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.295 -0.554 -10.845 1.00 0.00 C ATOM 0 H VAL A 80 -0.696 -3.510 -10.693 1.00 0.00 H new ATOM 0 HA VAL A 80 0.867 -1.450 -12.019 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.432 -1.790 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.207 0.545 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.625 -0.523 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.206 0.566 -10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.849 0.065 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.968 0.058 -11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.938 -1.355 -11.208 1.00 0.00 H new ATOM 898 N GLU A 81 2.889 -3.057 -11.420 1.00 0.00 N ATOM 899 CA GLU A 81 4.238 -3.456 -11.049 1.00 0.00 C ATOM 900 C GLU A 81 5.193 -2.267 -11.163 1.00 0.00 C ATOM 901 O GLU A 81 5.356 -1.698 -12.242 1.00 0.00 O ATOM 902 CB GLU A 81 4.717 -4.630 -11.906 1.00 0.00 C ATOM 903 CG GLU A 81 4.385 -4.403 -13.381 1.00 0.00 C ATOM 904 CD GLU A 81 5.376 -5.138 -14.286 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.589 -5.013 -14.018 1.00 0.00 O ATOM 906 OE2 GLU A 81 4.896 -5.809 -15.225 1.00 0.00 O ATOM 0 H GLU A 81 2.604 -3.338 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 81 4.226 -3.788 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.793 -4.756 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.248 -5.552 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.373 -4.750 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.407 -3.336 -13.602 1.00 0.00 H new ATOM 911 N ARG A 82 5.800 -1.926 -10.036 1.00 0.00 N ATOM 912 CA ARG A 82 6.736 -0.815 -9.996 1.00 0.00 C ATOM 913 C ARG A 82 8.089 -1.279 -9.454 1.00 0.00 C ATOM 914 O ARG A 82 8.443 -0.974 -8.317 1.00 0.00 O ATOM 915 CB ARG A 82 6.204 0.321 -9.119 1.00 0.00 C ATOM 916 CG ARG A 82 6.665 1.681 -9.646 1.00 0.00 C ATOM 917 CD ARG A 82 5.536 2.711 -9.565 1.00 0.00 C ATOM 918 NE ARG A 82 4.399 2.284 -10.410 1.00 0.00 N ATOM 919 CZ ARG A 82 4.346 2.454 -11.738 1.00 0.00 C ATOM 920 NH1 ARG A 82 5.364 3.043 -12.380 1.00 0.00 N ATOM 921 NH2 ARG A 82 3.274 2.035 -12.425 1.00 0.00 N ATOM 0 H ARG A 82 5.662 -2.400 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 82 6.857 -0.446 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.115 0.287 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.551 0.187 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.521 2.028 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.998 1.581 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.209 2.824 -8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.898 3.686 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 82 3.607 1.832 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.180 3.362 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.323 3.172 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.499 1.587 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.234 2.164 -13.436 1.00 0.00 H new ATOM 932 N PRO A 83 8.827 -2.028 -10.316 1.00 0.00 N ATOM 933 CA PRO A 83 10.133 -2.537 -9.935 1.00 0.00 C ATOM 934 C PRO A 83 11.182 -1.424 -9.951 1.00 0.00 C ATOM 935 O PRO A 83 11.641 -1.013 -11.015 1.00 0.00 O ATOM 936 CB PRO A 83 10.429 -3.646 -10.931 1.00 0.00 C ATOM 937 CG PRO A 83 9.498 -3.409 -12.109 1.00 0.00 C ATOM 938 CD PRO A 83 8.439 -2.410 -11.671 1.00 0.00 C ATOM 0 HA PRO A 83 10.153 -2.920 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.472 -3.619 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.255 -4.626 -10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.054 -3.026 -12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.034 -4.344 -12.424 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.412 -1.545 -12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.444 -2.855 -11.687 1.00 0.00 H new ATOM 943 N CYS A 84 11.532 -0.967 -8.757 1.00 0.00 N ATOM 944 CA CYS A 84 12.517 0.091 -8.620 1.00 0.00 C ATOM 945 C CYS A 84 12.079 1.272 -9.490 1.00 0.00 C ATOM 946 O CYS A 84 11.131 1.158 -10.265 1.00 0.00 O ATOM 947 CB CYS A 84 13.922 -0.394 -8.983 1.00 0.00 C ATOM 948 SG CYS A 84 13.993 -2.084 -9.682 1.00 0.00 S ATOM 0 H CYS A 84 11.150 -1.311 -7.876 1.00 0.00 H new ATOM 0 HA CYS A 84 12.570 0.408 -7.579 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.356 0.300 -9.702 1.00 0.00 H new ATOM 0 HB3 CYS A 84 14.546 -0.359 -8.090 1.00 0.00 H new ATOM 952 N PRO A 85 12.810 2.408 -9.327 1.00 0.00 N ATOM 953 CA PRO A 85 12.507 3.607 -10.088 1.00 0.00 C ATOM 954 C PRO A 85 12.976 3.471 -11.539 1.00 0.00 C ATOM 955 O PRO A 85 12.159 3.362 -12.452 1.00 0.00 O ATOM 956 CB PRO A 85 13.203 4.733 -9.342 1.00 0.00 C ATOM 957 CG PRO A 85 14.247 4.066 -8.462 1.00 0.00 C ATOM 958 CD PRO A 85 13.939 2.579 -8.419 1.00 0.00 C ATOM 0 HA PRO A 85 11.436 3.798 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 85 13.667 5.433 -10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 85 12.493 5.302 -8.742 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.247 4.237 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 85 14.227 4.489 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.797 1.988 -8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.687 2.256 -7.409 1.00 0.00 H new ATOM 963 N GLU A 86 14.291 3.481 -11.703 1.00 0.00 N ATOM 964 CA GLU A 86 14.879 3.360 -13.026 1.00 0.00 C ATOM 965 C GLU A 86 15.522 1.982 -13.198 1.00 0.00 C ATOM 966 O GLU A 86 15.384 1.117 -12.334 1.00 0.00 O ATOM 967 CB GLU A 86 15.897 4.474 -13.279 1.00 0.00 C ATOM 968 CG GLU A 86 15.222 5.704 -13.891 1.00 0.00 C ATOM 969 CD GLU A 86 15.544 5.820 -15.383 1.00 0.00 C ATOM 970 OE1 GLU A 86 16.684 6.228 -15.687 1.00 0.00 O ATOM 971 OE2 GLU A 86 14.640 5.496 -16.184 1.00 0.00 O ATOM 0 H GLU A 86 14.965 3.571 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 86 14.084 3.464 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.381 4.749 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.678 4.113 -13.948 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.143 5.638 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.556 6.603 -13.372 1.00 0.00 H new ATOM 976 N TYR A 87 16.209 1.819 -14.319 1.00 0.00 N ATOM 977 CA TYR A 87 16.873 0.562 -14.613 1.00 0.00 C ATOM 978 C TYR A 87 18.386 0.681 -14.419 1.00 0.00 C ATOM 979 O TYR A 87 19.123 0.912 -15.376 1.00 0.00 O ATOM 980 CB TYR A 87 16.583 0.267 -16.088 1.00 0.00 C ATOM 981 CG TYR A 87 15.731 -0.984 -16.316 1.00 0.00 C ATOM 982 CD1 TYR A 87 14.447 -1.045 -15.817 1.00 0.00 C ATOM 983 CD2 TYR A 87 16.249 -2.052 -17.021 1.00 0.00 C ATOM 984 CE1 TYR A 87 13.646 -2.222 -16.032 1.00 0.00 C ATOM 985 CE2 TYR A 87 15.448 -3.229 -17.236 1.00 0.00 C ATOM 986 CZ TYR A 87 14.186 -3.256 -16.731 1.00 0.00 C ATOM 987 OH TYR A 87 13.430 -4.368 -16.934 1.00 0.00 O ATOM 0 H TYR A 87 16.320 2.537 -15.035 1.00 0.00 H new ATOM 0 HA TYR A 87 16.515 -0.225 -13.949 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.074 1.126 -16.527 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.529 0.152 -16.618 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.042 -0.210 -15.265 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.255 -2.005 -17.411 1.00 0.00 H new ATOM 0 HE1 TYR A 87 12.639 -2.282 -15.647 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.841 -4.071 -17.786 1.00 0.00 H new ATOM 0 HH TYR A 87 13.945 -5.024 -17.449 1.00 0.00 H new ATOM 996 N PHE A 88 18.804 0.518 -13.172 1.00 0.00 N ATOM 997 CA PHE A 88 20.216 0.604 -12.839 1.00 0.00 C ATOM 998 C PHE A 88 20.708 -0.695 -12.196 1.00 0.00 C ATOM 999 O PHE A 88 21.747 -1.228 -12.584 1.00 0.00 O ATOM 1000 CB PHE A 88 20.368 1.747 -11.833 1.00 0.00 C ATOM 1001 CG PHE A 88 19.374 1.690 -10.672 1.00 0.00 C ATOM 1002 CD1 PHE A 88 19.683 0.993 -9.545 1.00 0.00 C ATOM 1003 CD2 PHE A 88 18.182 2.336 -10.765 1.00 0.00 C ATOM 1004 CE1 PHE A 88 18.761 0.941 -8.467 1.00 0.00 C ATOM 1005 CE2 PHE A 88 17.258 2.284 -9.687 1.00 0.00 C ATOM 1006 CZ PHE A 88 17.567 1.588 -8.561 1.00 0.00 C ATOM 0 H PHE A 88 18.190 0.327 -12.380 1.00 0.00 H new ATOM 0 HA PHE A 88 20.802 0.775 -13.742 1.00 0.00 H new ATOM 0 HB2 PHE A 88 21.381 1.732 -11.431 1.00 0.00 H new ATOM 0 HB3 PHE A 88 20.247 2.696 -12.356 1.00 0.00 H new ATOM 0 HD1 PHE A 88 20.630 0.479 -9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.937 2.890 -11.659 1.00 0.00 H new ATOM 0 HE1 PHE A 88 19.007 0.388 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 88 16.311 2.797 -9.762 1.00 0.00 H new ATOM 0 HZ PHE A 88 16.865 1.548 -7.741 1.00 0.00 H new ATOM 1015 N ASN A 89 19.939 -1.166 -11.226 1.00 0.00 N ATOM 1016 CA ASN A 89 20.284 -2.392 -10.527 1.00 0.00 C ATOM 1017 C ASN A 89 21.478 -2.130 -9.607 1.00 0.00 C ATOM 1018 O ASN A 89 22.623 -2.378 -9.984 1.00 0.00 O ATOM 1019 CB ASN A 89 20.677 -3.495 -11.511 1.00 0.00 C ATOM 1020 CG ASN A 89 19.744 -4.701 -11.384 1.00 0.00 C ATOM 1021 OD1 ASN A 89 20.153 -5.804 -11.062 1.00 0.00 O ATOM 1022 ND2 ASN A 89 18.470 -4.429 -11.654 1.00 0.00 N ATOM 0 H ASN A 89 19.078 -0.721 -10.907 1.00 0.00 H new ATOM 0 HA ASN A 89 19.412 -2.712 -9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 89 20.641 -3.108 -12.530 1.00 0.00 H new ATOM 0 HB3 ASN A 89 21.705 -3.805 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.768 -5.167 -11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.195 -3.483 -11.918 1.00 0.00 H new ATOM 1028 N GLY A 90 21.172 -1.632 -8.418 1.00 0.00 N ATOM 1029 CA GLY A 90 22.206 -1.334 -7.442 1.00 0.00 C ATOM 1030 C GLY A 90 21.663 -0.443 -6.323 1.00 0.00 C ATOM 1031 O GLY A 90 21.135 -0.940 -5.329 1.00 0.00 O ATOM 0 H GLY A 90 20.222 -1.427 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.590 -2.262 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.043 -0.838 -7.933 1.00 0.00 H new ATOM 1035 N ILE A 91 21.812 0.859 -6.522 1.00 0.00 N ATOM 1036 CA ILE A 91 21.344 1.824 -5.543 1.00 0.00 C ATOM 1037 C ILE A 91 21.230 3.199 -6.202 1.00 0.00 C ATOM 1038 O ILE A 91 21.484 4.220 -5.564 1.00 0.00 O ATOM 1039 CB ILE A 91 22.241 1.808 -4.302 1.00 0.00 C ATOM 1040 CG1 ILE A 91 23.719 1.815 -4.697 1.00 0.00 C ATOM 1041 CG2 ILE A 91 21.896 0.630 -3.391 1.00 0.00 C ATOM 1042 CD1 ILE A 91 24.356 3.176 -4.411 1.00 0.00 C ATOM 0 H ILE A 91 22.251 1.267 -7.347 1.00 0.00 H new ATOM 0 HA ILE A 91 20.348 1.556 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 91 22.055 2.719 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 91 24.250 1.038 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 91 23.817 1.579 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 91 22.548 0.642 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.857 0.710 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 91 22.036 -0.304 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 91 25.407 3.154 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.838 3.947 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 91 24.278 3.398 -3.347 1.00 0.00 H new ATOM 1053 N LYS A 92 20.848 3.183 -7.471 1.00 0.00 N ATOM 1054 CA LYS A 92 20.699 4.416 -8.223 1.00 0.00 C ATOM 1055 C LYS A 92 19.219 4.801 -8.274 1.00 0.00 C ATOM 1056 O LYS A 92 18.662 5.001 -9.353 1.00 0.00 O ATOM 1057 CB LYS A 92 21.347 4.284 -9.604 1.00 0.00 C ATOM 1058 CG LYS A 92 22.214 5.504 -9.922 1.00 0.00 C ATOM 1059 CD LYS A 92 23.546 5.440 -9.174 1.00 0.00 C ATOM 1060 CE LYS A 92 24.692 5.089 -10.126 1.00 0.00 C ATOM 1061 NZ LYS A 92 24.930 6.194 -11.081 1.00 0.00 N ATOM 0 H LYS A 92 20.637 2.335 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 92 21.225 5.231 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.957 3.381 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.573 4.175 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.398 5.554 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.682 6.415 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.746 6.399 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.486 4.695 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.599 4.892 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.453 4.175 -10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.914 6.157 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.284 6.099 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.760 7.104 -10.608 1.00 0.00 H new ATOM 1071 N TYR A 93 18.624 4.894 -7.093 1.00 0.00 N ATOM 1072 CA TYR A 93 17.219 5.251 -6.989 1.00 0.00 C ATOM 1073 C TYR A 93 17.056 6.689 -6.494 1.00 0.00 C ATOM 1074 O TYR A 93 17.887 7.189 -5.737 1.00 0.00 O ATOM 1075 CB TYR A 93 16.617 4.297 -5.956 1.00 0.00 C ATOM 1076 CG TYR A 93 17.175 4.477 -4.543 1.00 0.00 C ATOM 1077 CD1 TYR A 93 18.334 3.827 -4.170 1.00 0.00 C ATOM 1078 CD2 TYR A 93 16.519 5.290 -3.641 1.00 0.00 C ATOM 1079 CE1 TYR A 93 18.859 3.997 -2.840 1.00 0.00 C ATOM 1080 CE2 TYR A 93 17.043 5.460 -2.311 1.00 0.00 C ATOM 1081 CZ TYR A 93 18.188 4.804 -1.976 1.00 0.00 C ATOM 1082 OH TYR A 93 18.684 4.965 -0.720 1.00 0.00 O ATOM 0 H TYR A 93 19.089 4.728 -6.201 1.00 0.00 H new ATOM 0 HA TYR A 93 16.730 5.177 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.537 4.441 -5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.794 3.271 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.847 3.191 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.612 5.799 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.765 3.495 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.539 6.093 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 93 18.102 5.569 -0.213 1.00 0.00 H new ATOM 1091 N ASN A 94 15.978 7.316 -6.942 1.00 0.00 N ATOM 1092 CA ASN A 94 15.693 8.687 -6.554 1.00 0.00 C ATOM 1093 C ASN A 94 14.404 8.723 -5.731 1.00 0.00 C ATOM 1094 O ASN A 94 14.437 8.985 -4.530 1.00 0.00 O ATOM 1095 CB ASN A 94 15.495 9.578 -7.783 1.00 0.00 C ATOM 1096 CG ASN A 94 16.751 9.592 -8.657 1.00 0.00 C ATOM 1097 OD1 ASN A 94 17.313 10.631 -8.964 1.00 0.00 O ATOM 1098 ND2 ASN A 94 17.157 8.385 -9.041 1.00 0.00 N ATOM 0 H ASN A 94 15.291 6.899 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 94 16.539 9.056 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.646 9.218 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.257 10.593 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.985 8.288 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.640 7.556 -8.748 1.00 0.00 H new ATOM 1104 N THR A 95 13.298 8.457 -6.411 1.00 0.00 N ATOM 1105 CA THR A 95 12.000 8.455 -5.758 1.00 0.00 C ATOM 1106 C THR A 95 11.050 7.486 -6.463 1.00 0.00 C ATOM 1107 O THR A 95 11.482 6.660 -7.266 1.00 0.00 O ATOM 1108 CB THR A 95 11.485 9.896 -5.726 1.00 0.00 C ATOM 1109 OG1 THR A 95 11.602 10.336 -7.076 1.00 0.00 O ATOM 1110 CG2 THR A 95 12.414 10.832 -4.948 1.00 0.00 C ATOM 0 H THR A 95 13.274 8.241 -7.408 1.00 0.00 H new ATOM 0 HA THR A 95 12.074 8.098 -4.731 1.00 0.00 H new ATOM 0 HB THR A 95 10.491 9.917 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.288 11.262 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.003 11.842 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.502 10.484 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.399 10.838 -5.415 1.00 0.00 H new ATOM 1118 N THR A 96 9.771 7.620 -6.139 1.00 0.00 N ATOM 1119 CA THR A 96 8.756 6.766 -6.731 1.00 0.00 C ATOM 1120 C THR A 96 8.606 5.476 -5.924 1.00 0.00 C ATOM 1121 O THR A 96 7.507 4.935 -5.808 1.00 0.00 O ATOM 1122 CB THR A 96 9.134 6.527 -8.194 1.00 0.00 C ATOM 1123 OG1 THR A 96 7.883 6.506 -8.877 1.00 0.00 O ATOM 1124 CG2 THR A 96 9.710 5.130 -8.429 1.00 0.00 C ATOM 0 H THR A 96 9.416 8.307 -5.474 1.00 0.00 H new ATOM 0 HA THR A 96 7.776 7.242 -6.707 1.00 0.00 H new ATOM 0 HB THR A 96 9.860 7.277 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.035 6.358 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.961 5.013 -9.483 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.608 5.000 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.971 4.380 -8.147 1.00 0.00 H new ATOM 1132 N ARG A 97 9.727 5.018 -5.386 1.00 0.00 N ATOM 1133 CA ARG A 97 9.735 3.801 -4.592 1.00 0.00 C ATOM 1134 C ARG A 97 9.306 2.607 -5.447 1.00 0.00 C ATOM 1135 O ARG A 97 8.727 2.782 -6.518 1.00 0.00 O ATOM 1136 CB ARG A 97 8.796 3.922 -3.389 1.00 0.00 C ATOM 1137 CG ARG A 97 9.466 3.398 -2.117 1.00 0.00 C ATOM 1138 CD ARG A 97 9.500 4.476 -1.032 1.00 0.00 C ATOM 1139 NE ARG A 97 9.079 3.902 0.265 1.00 0.00 N ATOM 1140 CZ ARG A 97 8.981 4.606 1.402 1.00 0.00 C ATOM 1141 NH1 ARG A 97 9.274 5.913 1.408 1.00 0.00 N ATOM 1142 NH2 ARG A 97 8.591 4.001 2.532 1.00 0.00 N ATOM 0 H ARG A 97 10.637 5.468 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 97 10.752 3.647 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.509 4.964 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.881 3.362 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.926 2.525 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.481 3.073 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.506 4.887 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.841 5.300 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 97 8.849 2.909 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.572 6.373 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.199 6.448 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.369 3.005 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.516 4.536 3.397 1.00 0.00 H new ATOM 1153 N ASN A 98 9.607 1.420 -4.942 1.00 0.00 N ATOM 1154 CA ASN A 98 9.260 0.198 -5.647 1.00 0.00 C ATOM 1155 C ASN A 98 8.081 -0.475 -4.941 1.00 0.00 C ATOM 1156 O ASN A 98 7.873 -0.277 -3.745 1.00 0.00 O ATOM 1157 CB ASN A 98 10.432 -0.787 -5.652 1.00 0.00 C ATOM 1158 CG ASN A 98 10.870 -1.124 -4.226 1.00 0.00 C ATOM 1159 OD1 ASN A 98 10.243 -1.900 -3.523 1.00 0.00 O ATOM 1160 ND2 ASN A 98 11.979 -0.501 -3.839 1.00 0.00 N ATOM 0 H ASN A 98 10.087 1.278 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 98 9.005 0.461 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.142 -1.700 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.270 -0.358 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.354 -0.660 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.455 0.136 -4.477 1.00 0.00 H new ATOM 1166 N ALA A 99 7.339 -1.257 -5.712 1.00 0.00 N ATOM 1167 CA ALA A 99 6.186 -1.960 -5.177 1.00 0.00 C ATOM 1168 C ALA A 99 5.583 -2.846 -6.268 1.00 0.00 C ATOM 1169 O ALA A 99 6.176 -3.019 -7.331 1.00 0.00 O ATOM 1170 CB ALA A 99 5.181 -0.946 -4.626 1.00 0.00 C ATOM 0 H ALA A 99 7.515 -1.419 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 99 6.480 -2.609 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.315 -1.473 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.650 -0.362 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.861 -0.279 -5.427 1.00 0.00 H new ATOM 1176 N TYR A 100 4.410 -3.385 -5.966 1.00 0.00 N ATOM 1177 CA TYR A 100 3.720 -4.250 -6.908 1.00 0.00 C ATOM 1178 C TYR A 100 2.236 -4.373 -6.553 1.00 0.00 C ATOM 1179 O TYR A 100 1.869 -5.135 -5.660 1.00 0.00 O ATOM 1180 CB TYR A 100 4.379 -5.625 -6.779 1.00 0.00 C ATOM 1181 CG TYR A 100 3.710 -6.716 -7.617 1.00 0.00 C ATOM 1182 CD1 TYR A 100 2.664 -7.446 -7.090 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.152 -6.971 -8.899 1.00 0.00 C ATOM 1184 CE1 TYR A 100 2.033 -8.474 -7.878 1.00 0.00 C ATOM 1185 CE2 TYR A 100 3.521 -7.998 -9.688 1.00 0.00 C ATOM 1186 CZ TYR A 100 2.494 -8.699 -9.138 1.00 0.00 C ATOM 1187 OH TYR A 100 1.899 -9.669 -9.882 1.00 0.00 O ATOM 0 H TYR A 100 3.921 -3.239 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 100 3.787 -3.848 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.425 -5.544 -7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.366 -5.926 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.318 -7.247 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.971 -6.401 -9.311 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.213 -9.052 -7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.856 -8.206 -10.693 1.00 0.00 H new ATOM 0 HH TYR A 100 1.046 -9.920 -9.470 1.00 0.00 H new ATOM 1196 N ARG A 101 1.423 -3.613 -7.272 1.00 0.00 N ATOM 1197 CA ARG A 101 -0.011 -3.627 -7.043 1.00 0.00 C ATOM 1198 C ARG A 101 -0.716 -4.415 -8.150 1.00 0.00 C ATOM 1199 O ARG A 101 -1.045 -3.861 -9.198 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.576 -2.205 -7.000 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.868 -1.776 -5.561 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.222 -1.070 -5.463 1.00 0.00 C ATOM 1203 NE ARG A 101 -3.127 -1.831 -4.574 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.073 -1.793 -3.236 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.156 -1.032 -2.624 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.935 -2.518 -2.509 1.00 0.00 N ATOM 0 H ARG A 101 1.731 -2.984 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.189 -4.106 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.135 -1.513 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.490 -2.155 -7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.861 -2.649 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.080 -1.110 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.087 -0.059 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.666 -0.978 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.837 -2.422 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.499 -0.481 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.115 -1.003 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.632 -3.099 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.894 -2.489 -1.490 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.927 -5.694 -7.878 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.588 -6.564 -8.837 1.00 0.00 C ATOM 1219 C GLU A 102 -3.105 -6.382 -8.761 1.00 0.00 C ATOM 1220 O GLU A 102 -3.704 -6.569 -7.704 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.198 -8.025 -8.611 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.227 -8.377 -7.122 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.394 -9.883 -6.917 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.376 -10.426 -7.469 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.537 -10.458 -6.212 1.00 0.00 O ATOM 0 H GLU A 102 -0.652 -6.149 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.259 -6.286 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.882 -8.676 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.200 -8.205 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.305 -8.042 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.046 -7.847 -6.636 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.683 -6.022 -9.898 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.119 -5.813 -9.974 1.00 0.00 C ATOM 1232 C CYS A 103 -5.744 -7.020 -10.675 1.00 0.00 C ATOM 1233 O CYS A 103 -5.193 -7.531 -11.649 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.464 -4.501 -10.681 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.224 -3.228 -9.610 1.00 0.00 S ATOM 0 H CYS A 103 -3.183 -5.870 -10.774 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.529 -5.726 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.554 -4.091 -11.119 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.145 -4.717 -11.504 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.886 -7.443 -10.153 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.591 -8.582 -10.717 1.00 0.00 C ATOM 1241 C LEU A 104 -8.379 -8.129 -11.948 1.00 0.00 C ATOM 1242 O LEU A 104 -8.675 -6.945 -12.099 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.453 -9.259 -9.650 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.796 -10.411 -8.888 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.706 -11.664 -9.761 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.429 -9.996 -8.338 1.00 0.00 C ATOM 0 H LEU A 104 -7.341 -7.017 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.884 -9.341 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.763 -8.503 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.358 -9.635 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.425 -10.658 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.235 -12.468 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.708 -11.970 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.111 -11.447 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.984 -10.833 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.778 -9.706 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.551 -9.152 -7.659 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.695 -9.096 -12.797 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.441 -8.812 -14.010 1.00 0.00 C ATOM 1259 C GLU A 105 -10.903 -8.505 -13.675 1.00 0.00 C ATOM 1260 O GLU A 105 -11.695 -8.193 -14.563 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.339 -9.972 -15.002 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.530 -9.485 -16.439 1.00 0.00 C ATOM 1263 CD GLU A 105 -8.637 -10.264 -17.407 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -7.403 -10.197 -17.220 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.209 -10.911 -18.311 1.00 0.00 O ATOM 0 H GLU A 105 -8.448 -10.077 -12.668 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.004 -7.933 -14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.366 -10.454 -14.904 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.092 -10.724 -14.766 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.574 -9.600 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.297 -8.422 -16.500 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.214 -8.605 -12.391 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.567 -8.342 -11.927 1.00 0.00 C ATOM 1272 C ASN A 106 -12.676 -6.880 -11.491 1.00 0.00 C ATOM 1273 O ASN A 106 -13.732 -6.440 -11.038 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.918 -9.221 -10.726 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.098 -10.140 -11.045 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -14.061 -11.340 -10.825 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.145 -9.513 -11.574 1.00 0.00 N ATOM 0 H ASN A 106 -10.554 -8.864 -11.658 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.253 -8.560 -12.746 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.052 -9.820 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.163 -8.592 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.983 -10.039 -11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.110 -8.506 -11.732 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.570 -6.166 -11.642 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.528 -4.763 -11.268 1.00 0.00 C ATOM 1285 C GLY A 107 -11.401 -4.601 -9.752 1.00 0.00 C ATOM 1286 O GLY A 107 -12.120 -3.808 -9.146 1.00 0.00 O ATOM 0 H GLY A 107 -10.696 -6.533 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.686 -4.277 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.432 -4.263 -11.616 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.366 -9.183 1.00 0.00 N ATOM 1291 CA THR A 108 -10.250 -5.318 -7.750 1.00 0.00 C ATOM 1292 C THR A 108 -8.756 -5.181 -7.454 1.00 0.00 C ATOM 1293 O THR A 108 -7.930 -5.253 -8.363 1.00 0.00 O ATOM 1294 CB THR A 108 -10.880 -6.567 -7.128 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.563 -7.610 -8.045 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.409 -6.516 -7.134 1.00 0.00 C ATOM 0 H THR A 108 -9.889 -6.023 -9.689 1.00 0.00 H new ATOM 0 HA THR A 108 -10.719 -4.441 -7.303 1.00 0.00 H new ATOM 0 HB THR A 108 -10.525 -6.681 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.933 -8.457 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.805 -7.425 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.746 -5.651 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.766 -6.436 -8.161 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.453 -4.985 -6.180 1.00 0.00 N ATOM 1305 CA TRP A 109 -7.071 -4.836 -5.753 1.00 0.00 C ATOM 1306 C TRP A 109 -6.649 -6.133 -5.059 1.00 0.00 C ATOM 1307 O TRP A 109 -7.443 -7.064 -4.938 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.901 -3.601 -4.867 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.599 -2.316 -5.641 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.218 -1.132 -5.547 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.573 -2.136 -6.640 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.668 -0.203 -6.407 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.636 -0.832 -7.093 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.623 -3.041 -7.143 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.775 -0.319 -8.070 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.771 -2.512 -8.120 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.821 -1.204 -8.587 1.00 0.00 C ATOM 0 H TRP A 109 -9.140 -4.926 -5.429 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.418 -4.671 -6.610 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.811 -3.457 -4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.094 -3.784 -4.158 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -8.044 -0.929 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.964 0.767 -6.518 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.555 -4.064 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.843 0.705 -8.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.022 -3.167 -8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.127 -0.872 -9.345 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.399 -6.151 -4.620 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.861 -7.318 -3.941 1.00 0.00 C ATOM 1329 C ALA A 110 -4.960 -7.112 -2.427 1.00 0.00 C ATOM 1330 O ALA A 110 -5.826 -6.380 -1.952 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.424 -7.561 -4.403 1.00 0.00 C ATOM 0 H ALA A 110 -4.743 -5.376 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.438 -8.208 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.021 -8.436 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.412 -7.730 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.813 -6.690 -4.166 1.00 0.00 H new ATOM 1337 N SER A 111 -4.059 -7.771 -1.713 1.00 0.00 N ATOM 1338 CA SER A 111 -4.034 -7.670 -0.264 1.00 0.00 C ATOM 1339 C SER A 111 -2.832 -6.833 0.181 1.00 0.00 C ATOM 1340 O SER A 111 -2.988 -5.679 0.577 1.00 0.00 O ATOM 1341 CB SER A 111 -3.985 -9.055 0.385 1.00 0.00 C ATOM 1342 OG SER A 111 -5.065 -9.258 1.291 1.00 0.00 O ATOM 0 H SER A 111 -3.341 -8.377 -2.111 1.00 0.00 H new ATOM 0 HA SER A 111 -4.952 -7.179 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.014 -9.820 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.040 -9.174 0.915 1.00 0.00 H new ATOM 0 HG SER A 111 -4.999 -10.154 1.683 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.662 -7.449 0.102 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.434 -6.775 0.492 1.00 0.00 C ATOM 1349 C ARG A 112 0.370 -6.379 -0.749 1.00 0.00 C ATOM 1350 O ARG A 112 0.736 -7.232 -1.555 1.00 0.00 O ATOM 1351 CB ARG A 112 0.426 -7.672 1.384 1.00 0.00 C ATOM 1352 CG ARG A 112 1.188 -6.844 2.422 1.00 0.00 C ATOM 1353 CD ARG A 112 2.683 -7.168 2.391 1.00 0.00 C ATOM 1354 NE ARG A 112 2.981 -8.269 3.333 1.00 0.00 N ATOM 1355 CZ ARG A 112 4.213 -8.734 3.579 1.00 0.00 C ATOM 1356 NH1 ARG A 112 5.270 -8.197 2.952 1.00 0.00 N ATOM 1357 NH2 ARG A 112 4.391 -9.737 4.450 1.00 0.00 N ATOM 0 H ARG A 112 -1.538 -8.407 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.708 -5.881 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.206 -8.402 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.132 -8.232 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.038 -5.782 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.789 -7.045 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.981 -7.451 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.261 -6.283 2.658 1.00 0.00 H new ATOM 0 HE ARG A 112 2.200 -8.701 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.136 -7.435 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.208 -8.551 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.588 -10.147 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.330 -10.090 4.636 1.00 0.00 H new ATOM 1368 N VAL A 113 0.622 -5.083 -0.861 1.00 0.00 N ATOM 1369 CA VAL A 113 1.376 -4.563 -1.989 1.00 0.00 C ATOM 1370 C VAL A 113 2.571 -3.760 -1.470 1.00 0.00 C ATOM 1371 O VAL A 113 2.396 -2.744 -0.799 1.00 0.00 O ATOM 1372 CB VAL A 113 0.458 -3.746 -2.901 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.271 -2.931 -3.908 1.00 0.00 C ATOM 1374 CG2 VAL A 113 -0.550 -4.651 -3.614 1.00 0.00 C ATOM 0 H VAL A 113 0.318 -4.378 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 113 1.770 -5.379 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.100 -3.047 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.595 -2.360 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.932 -2.248 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.867 -3.604 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.191 -4.047 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.016 -5.383 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.161 -5.168 -2.874 1.00 0.00 H new ATOM 1384 N ASN A 114 3.758 -4.245 -1.802 1.00 0.00 N ATOM 1385 CA ASN A 114 4.982 -3.584 -1.378 1.00 0.00 C ATOM 1386 C ASN A 114 6.184 -4.437 -1.788 1.00 0.00 C ATOM 1387 O ASN A 114 7.196 -3.909 -2.246 1.00 0.00 O ATOM 1388 CB ASN A 114 5.018 -3.416 0.141 1.00 0.00 C ATOM 1389 CG ASN A 114 6.194 -2.535 0.567 1.00 0.00 C ATOM 1390 OD1 ASN A 114 7.002 -2.896 1.408 1.00 0.00 O ATOM 1391 ND2 ASN A 114 6.246 -1.362 -0.058 1.00 0.00 N ATOM 0 H ASN A 114 3.899 -5.087 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 114 5.017 -2.602 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.083 -2.972 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.100 -4.393 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.994 -0.703 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.538 -1.122 -0.752 1.00 0.00 H new ATOM 1397 N TYR A 115 6.033 -5.742 -1.610 1.00 0.00 N ATOM 1398 CA TYR A 115 7.094 -6.672 -1.955 1.00 0.00 C ATOM 1399 C TYR A 115 7.445 -6.576 -3.442 1.00 0.00 C ATOM 1400 O TYR A 115 7.049 -7.431 -4.234 1.00 0.00 O ATOM 1401 CB TYR A 115 6.543 -8.068 -1.663 1.00 0.00 C ATOM 1402 CG TYR A 115 5.090 -8.268 -2.101 1.00 0.00 C ATOM 1403 CD1 TYR A 115 4.526 -7.416 -3.029 1.00 0.00 C ATOM 1404 CD2 TYR A 115 4.345 -9.300 -1.569 1.00 0.00 C ATOM 1405 CE1 TYR A 115 3.159 -7.604 -3.442 1.00 0.00 C ATOM 1406 CE2 TYR A 115 2.978 -9.489 -1.982 1.00 0.00 C ATOM 1407 CZ TYR A 115 2.453 -8.631 -2.898 1.00 0.00 C ATOM 1408 OH TYR A 115 1.161 -8.809 -3.287 1.00 0.00 O ATOM 0 H TYR A 115 5.191 -6.177 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 115 7.997 -6.452 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.168 -8.806 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.619 -8.261 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.110 -6.608 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.787 -9.966 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.705 -6.945 -4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.384 -10.293 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 115 0.575 -8.238 -2.747 1.00 0.00 H new ATOM 1417 N SER A 116 8.183 -5.528 -3.777 1.00 0.00 N ATOM 1418 CA SER A 116 8.591 -5.309 -5.154 1.00 0.00 C ATOM 1419 C SER A 116 9.756 -6.236 -5.508 1.00 0.00 C ATOM 1420 O SER A 116 9.865 -6.695 -6.644 1.00 0.00 O ATOM 1421 CB SER A 116 8.984 -3.849 -5.387 1.00 0.00 C ATOM 1422 OG SER A 116 10.377 -3.631 -5.178 1.00 0.00 O ATOM 0 H SER A 116 8.509 -4.821 -3.118 1.00 0.00 H new ATOM 0 HA SER A 116 7.744 -5.536 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.721 -3.561 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.412 -3.208 -4.716 1.00 0.00 H new ATOM 0 HG SER A 116 10.542 -3.459 -4.227 1.00 0.00 H new ATOM 1427 N HIS A 117 10.597 -6.483 -4.514 1.00 0.00 N ATOM 1428 CA HIS A 117 11.750 -7.346 -4.707 1.00 0.00 C ATOM 1429 C HIS A 117 12.777 -6.640 -5.594 1.00 0.00 C ATOM 1430 O HIS A 117 13.503 -7.288 -6.347 1.00 0.00 O ATOM 1431 CB HIS A 117 11.323 -8.706 -5.261 1.00 0.00 C ATOM 1432 CG HIS A 117 10.086 -9.275 -4.609 1.00 0.00 C ATOM 1433 ND1 HIS A 117 10.094 -9.825 -3.339 1.00 0.00 N ATOM 1434 CD2 HIS A 117 8.804 -9.373 -5.062 1.00 0.00 C ATOM 1435 CE1 HIS A 117 8.866 -10.232 -3.051 1.00 0.00 C ATOM 1436 NE2 HIS A 117 8.068 -9.952 -4.121 1.00 0.00 N ATOM 0 H HIS A 117 10.503 -6.101 -3.573 1.00 0.00 H new ATOM 0 HA HIS A 117 12.226 -7.543 -3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.145 -8.611 -6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.144 -9.412 -5.136 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.447 -9.036 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.552 -10.703 -2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.070 -10.154 -4.187 1.00 0.00 H new ATOM 1443 N CYS A 118 12.807 -5.321 -5.475 1.00 0.00 N ATOM 1444 CA CYS A 118 13.734 -4.520 -6.256 1.00 0.00 C ATOM 1445 C CYS A 118 14.845 -4.027 -5.328 1.00 0.00 C ATOM 1446 O CYS A 118 15.975 -3.812 -5.764 1.00 0.00 O ATOM 1447 CB CYS A 118 13.026 -3.362 -6.962 1.00 0.00 C ATOM 1448 SG CYS A 118 13.046 -3.449 -8.790 1.00 0.00 S ATOM 0 H CYS A 118 12.204 -4.787 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 118 14.168 -5.132 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.990 -3.329 -6.625 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.492 -2.427 -6.652 1.00 0.00 H new ATOM 1452 N GLU A 119 14.486 -3.863 -4.062 1.00 0.00 N ATOM 1453 CA GLU A 119 15.439 -3.400 -3.068 1.00 0.00 C ATOM 1454 C GLU A 119 16.496 -4.474 -2.805 1.00 0.00 C ATOM 1455 O GLU A 119 17.685 -4.172 -2.724 1.00 0.00 O ATOM 1456 CB GLU A 119 14.729 -3.002 -1.773 1.00 0.00 C ATOM 1457 CG GLU A 119 15.661 -2.201 -0.860 1.00 0.00 C ATOM 1458 CD GLU A 119 15.308 -2.422 0.613 1.00 0.00 C ATOM 1459 OE1 GLU A 119 14.149 -2.117 0.971 1.00 0.00 O ATOM 1460 OE2 GLU A 119 16.205 -2.890 1.347 1.00 0.00 O ATOM 0 H GLU A 119 13.548 -4.043 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 119 15.939 -2.513 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.845 -2.409 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.385 -3.896 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.694 -2.498 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.588 -1.140 -1.100 1.00 0.00 H new ATOM 1465 N PRO A 120 16.011 -5.738 -2.676 1.00 0.00 N ATOM 1466 CA PRO A 120 16.902 -6.858 -2.425 1.00 0.00 C ATOM 1467 C PRO A 120 17.669 -7.245 -3.691 1.00 0.00 C ATOM 1468 O PRO A 120 17.584 -8.382 -4.150 1.00 0.00 O ATOM 1469 CB PRO A 120 16.001 -7.970 -1.914 1.00 0.00 C ATOM 1470 CG PRO A 120 14.591 -7.591 -2.337 1.00 0.00 C ATOM 1471 CD PRO A 120 14.609 -6.133 -2.766 1.00 0.00 C ATOM 0 HA PRO A 120 17.677 -6.623 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 120 16.290 -8.932 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.072 -8.063 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 120 14.255 -8.226 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 120 13.893 -7.738 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.228 -6.014 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 120 13.983 -5.521 -2.117 1.00 0.00 H new ATOM 1476 N ILE A 121 18.401 -6.274 -4.220 1.00 0.00 N ATOM 1477 CA ILE A 121 19.182 -6.499 -5.424 1.00 0.00 C ATOM 1478 C ILE A 121 20.414 -7.340 -5.079 1.00 0.00 C ATOM 1479 O ILE A 121 20.828 -7.394 -3.922 1.00 0.00 O ATOM 1480 CB ILE A 121 19.517 -5.168 -6.101 1.00 0.00 C ATOM 1481 CG1 ILE A 121 19.333 -5.264 -7.617 1.00 0.00 C ATOM 1482 CG2 ILE A 121 20.922 -4.698 -5.723 1.00 0.00 C ATOM 1483 CD1 ILE A 121 18.200 -4.350 -8.091 1.00 0.00 C ATOM 0 H ILE A 121 18.469 -5.331 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 121 18.603 -7.066 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 121 18.818 -4.414 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.261 -4.988 -8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.114 -6.295 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.134 -3.750 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.983 -4.565 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.652 -5.443 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.090 -4.437 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.269 -4.644 -7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.433 -3.317 -7.832 1.00 0.00 H new ATOM 1494 N LEU A 122 20.963 -7.974 -6.104 1.00 0.00 N ATOM 1495 CA LEU A 122 22.139 -8.810 -5.924 1.00 0.00 C ATOM 1496 C LEU A 122 23.336 -7.926 -5.567 1.00 0.00 C ATOM 1497 O LEU A 122 24.185 -7.655 -6.413 1.00 0.00 O ATOM 1498 CB LEU A 122 22.367 -9.686 -7.157 1.00 0.00 C ATOM 1499 CG LEU A 122 22.589 -8.944 -8.476 1.00 0.00 C ATOM 1500 CD1 LEU A 122 23.870 -9.418 -9.164 1.00 0.00 C ATOM 1501 CD2 LEU A 122 21.367 -9.071 -9.389 1.00 0.00 C ATOM 0 H LEU A 122 20.616 -7.926 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 122 21.993 -9.501 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.232 -10.322 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.506 -10.345 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 122 22.717 -7.885 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.003 -8.874 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.723 -9.233 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.798 -10.485 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.551 -8.535 -10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.183 -10.123 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 122 20.495 -8.646 -8.891 1.00 0.00 H new ATOM 1512 N ASP A 123 23.366 -7.505 -4.311 1.00 0.00 N ATOM 1513 CA ASP A 123 24.446 -6.658 -3.831 1.00 0.00 C ATOM 1514 C ASP A 123 24.805 -7.061 -2.400 1.00 0.00 C ATOM 1515 O ASP A 123 24.247 -6.528 -1.443 1.00 0.00 O ATOM 1516 CB ASP A 123 24.028 -5.187 -3.817 1.00 0.00 C ATOM 1517 CG ASP A 123 22.797 -4.872 -2.964 1.00 0.00 C ATOM 1518 OD1 ASP A 123 22.162 -5.845 -2.503 1.00 0.00 O ATOM 1519 OD2 ASP A 123 22.519 -3.665 -2.793 1.00 0.00 O ATOM 0 H ASP A 123 22.660 -7.734 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 123 25.297 -6.784 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 123 24.865 -4.591 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 123 23.832 -4.871 -4.842 1.00 0.00 H new ATOM 1523 N ASP A 124 25.736 -7.999 -2.299 1.00 0.00 N ATOM 1524 CA ASP A 124 26.176 -8.480 -1.000 1.00 0.00 C ATOM 1525 C ASP A 124 25.001 -9.143 -0.281 1.00 0.00 C ATOM 1526 O ASP A 124 24.185 -8.463 0.341 1.00 0.00 O ATOM 1527 CB ASP A 124 26.675 -7.327 -0.127 1.00 0.00 C ATOM 1528 CG ASP A 124 28.034 -7.558 0.535 1.00 0.00 C ATOM 1529 OD1 ASP A 124 28.482 -8.725 0.521 1.00 0.00 O ATOM 1530 OD2 ASP A 124 28.597 -6.563 1.041 1.00 0.00 O ATOM 0 H ASP A 124 26.198 -8.439 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 124 26.988 -9.189 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 124 26.734 -6.427 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 124 25.937 -7.135 0.651 1.00 0.00 H new ATOM 1534 N LYS A 125 24.951 -10.463 -0.389 1.00 0.00 N ATOM 1535 CA LYS A 125 23.888 -11.226 0.244 1.00 0.00 C ATOM 1536 C LYS A 125 24.416 -11.851 1.537 1.00 0.00 C ATOM 1537 O LYS A 125 25.454 -12.509 1.534 1.00 0.00 O ATOM 1538 CB LYS A 125 23.303 -12.244 -0.737 1.00 0.00 C ATOM 1539 CG LYS A 125 24.334 -13.318 -1.093 1.00 0.00 C ATOM 1540 CD LYS A 125 24.064 -14.613 -0.324 1.00 0.00 C ATOM 1541 CE LYS A 125 25.012 -15.726 -0.774 1.00 0.00 C ATOM 1542 NZ LYS A 125 26.253 -15.707 0.032 1.00 0.00 N ATOM 0 H LYS A 125 25.629 -11.023 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 125 23.061 -10.572 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 125 22.422 -12.712 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 125 22.976 -11.734 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 125 24.305 -13.514 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 125 25.336 -12.956 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 125 24.185 -14.437 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 125 23.031 -14.925 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 125 24.520 -16.694 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 125 25.255 -15.601 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 26.885 -16.469 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 26.729 -14.790 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 26.018 -15.849 1.035 1.00 0.00 H new ATOM 1552 N GLN A 126 23.676 -11.622 2.611 1.00 0.00 N ATOM 1553 CA GLN A 126 24.056 -12.153 3.909 1.00 0.00 C ATOM 1554 C GLN A 126 23.239 -13.407 4.229 1.00 0.00 C ATOM 1555 O GLN A 126 22.222 -13.670 3.589 1.00 0.00 O ATOM 1556 CB GLN A 126 23.892 -11.097 5.005 1.00 0.00 C ATOM 1557 CG GLN A 126 22.414 -10.780 5.244 1.00 0.00 C ATOM 1558 CD GLN A 126 22.255 -9.616 6.222 1.00 0.00 C ATOM 1559 OE1 GLN A 126 22.447 -9.746 7.420 1.00 0.00 O ATOM 1560 NE2 GLN A 126 21.894 -8.471 5.647 1.00 0.00 N ATOM 0 H GLN A 126 22.815 -11.076 2.609 1.00 0.00 H new ATOM 0 HA GLN A 126 25.110 -12.429 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 126 24.345 -11.454 5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 126 24.421 -10.188 4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 126 21.934 -10.533 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 126 21.908 -11.662 5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 126 21.749 -8.430 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 126 21.762 -7.634 6.215 1.00 0.00 H new ATOM 1567 N ARG A 127 23.713 -14.147 5.220 1.00 0.00 N ATOM 1568 CA ARG A 127 23.039 -15.366 5.633 1.00 0.00 C ATOM 1569 C ARG A 127 22.809 -15.359 7.145 1.00 0.00 C ATOM 1570 O ARG A 127 23.488 -14.640 7.877 1.00 0.00 O ATOM 1571 CB ARG A 127 23.856 -16.603 5.253 1.00 0.00 C ATOM 1572 CG ARG A 127 22.943 -17.755 4.828 1.00 0.00 C ATOM 1573 CD ARG A 127 23.195 -18.145 3.371 1.00 0.00 C ATOM 1574 NE ARG A 127 21.991 -18.795 2.806 1.00 0.00 N ATOM 1575 CZ ARG A 127 20.913 -18.130 2.370 1.00 0.00 C ATOM 1576 NH1 ARG A 127 20.881 -16.793 2.429 1.00 0.00 N ATOM 1577 NH2 ARG A 127 19.866 -18.804 1.872 1.00 0.00 N ATOM 0 H ARG A 127 24.556 -13.926 5.749 1.00 0.00 H new ATOM 0 HA ARG A 127 22.080 -15.406 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 127 24.539 -16.356 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 127 24.468 -16.913 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 127 23.114 -18.616 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 127 21.900 -17.463 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 127 23.448 -17.260 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 127 24.047 -18.822 3.309 1.00 0.00 H new ATOM 0 HE ARG A 127 21.982 -19.813 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 127 21.678 -16.280 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 127 20.060 -16.287 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 127 19.891 -19.823 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 127 19.045 -18.298 1.540 1.00 0.00 H new ATOM 1588 N LYS A 128 21.851 -16.170 7.569 1.00 0.00 N ATOM 1589 CA LYS A 128 21.523 -16.267 8.982 1.00 0.00 C ATOM 1590 C LYS A 128 20.505 -17.390 9.189 1.00 0.00 C ATOM 1591 O LYS A 128 20.065 -18.018 8.227 1.00 0.00 O ATOM 1592 CB LYS A 128 21.060 -14.911 9.519 1.00 0.00 C ATOM 1593 CG LYS A 128 21.714 -14.602 10.867 1.00 0.00 C ATOM 1594 CD LYS A 128 20.725 -14.812 12.016 1.00 0.00 C ATOM 1595 CE LYS A 128 21.339 -15.684 13.113 1.00 0.00 C ATOM 1596 NZ LYS A 128 22.316 -14.906 13.908 1.00 0.00 N ATOM 0 H LYS A 128 21.291 -16.766 6.959 1.00 0.00 H new ATOM 0 HA LYS A 128 22.409 -16.528 9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.309 -14.128 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.976 -14.910 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 128 22.584 -15.243 11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 128 22.072 -13.573 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.435 -13.847 12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.817 -15.282 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.553 -16.066 13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 128 21.831 -16.548 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 22.723 -15.513 14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 23.075 -14.562 13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.837 -14.095 14.350 1.00 0.00 H new ATOM 1606 N TYR A 129 20.162 -17.609 10.449 1.00 0.00 N ATOM 1607 CA TYR A 129 19.204 -18.645 10.795 1.00 0.00 C ATOM 1608 C TYR A 129 18.682 -18.456 12.220 1.00 0.00 C ATOM 1609 O TYR A 129 19.170 -17.600 12.956 1.00 0.00 O ATOM 1610 CB TYR A 129 19.969 -19.968 10.717 1.00 0.00 C ATOM 1611 CG TYR A 129 19.099 -21.169 10.337 1.00 0.00 C ATOM 1612 CD1 TYR A 129 18.604 -21.283 9.052 1.00 0.00 C ATOM 1613 CD2 TYR A 129 18.808 -22.136 11.276 1.00 0.00 C ATOM 1614 CE1 TYR A 129 17.786 -22.412 8.694 1.00 0.00 C ATOM 1615 CE2 TYR A 129 17.990 -23.265 10.918 1.00 0.00 C ATOM 1616 CZ TYR A 129 17.518 -23.347 9.645 1.00 0.00 C ATOM 1617 OH TYR A 129 16.746 -24.413 9.306 1.00 0.00 O ATOM 0 H TYR A 129 20.530 -17.086 11.244 1.00 0.00 H new ATOM 0 HA TYR A 129 18.347 -18.616 10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 129 20.772 -19.869 9.987 1.00 0.00 H new ATOM 0 HB3 TYR A 129 20.437 -20.162 11.682 1.00 0.00 H new ATOM 0 HD1 TYR A 129 18.831 -20.525 8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 129 19.194 -22.046 12.281 1.00 0.00 H new ATOM 0 HE1 TYR A 129 17.394 -22.514 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 129 17.756 -24.030 11.644 1.00 0.00 H new ATOM 0 HH TYR A 129 16.639 -25.000 10.084 1.00 0.00 H new ATOM 1626 N ASP A 130 17.695 -19.269 12.568 1.00 0.00 N ATOM 1627 CA ASP A 130 17.100 -19.202 13.892 1.00 0.00 C ATOM 1628 C ASP A 130 17.438 -20.479 14.663 1.00 0.00 C ATOM 1629 O ASP A 130 17.887 -21.462 14.077 1.00 0.00 O ATOM 1630 CB ASP A 130 15.577 -19.090 13.806 1.00 0.00 C ATOM 1631 CG ASP A 130 14.889 -18.638 15.097 1.00 0.00 C ATOM 1632 OD1 ASP A 130 15.318 -17.594 15.634 1.00 0.00 O ATOM 1633 OD2 ASP A 130 13.949 -19.347 15.516 1.00 0.00 O ATOM 0 H ASP A 130 17.292 -19.978 11.955 1.00 0.00 H new ATOM 0 HA ASP A 130 17.498 -18.322 14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 130 15.323 -18.388 13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 130 15.172 -20.060 13.516 1.00 0.00 H new ATOM 1637 N LEU A 131 17.208 -20.424 15.967 1.00 0.00 N ATOM 1638 CA LEU A 131 17.482 -21.563 16.825 1.00 0.00 C ATOM 1639 C LEU A 131 16.838 -21.333 18.194 1.00 0.00 C ATOM 1640 O LEU A 131 16.803 -20.206 18.685 1.00 0.00 O ATOM 1641 CB LEU A 131 18.986 -21.835 16.891 1.00 0.00 C ATOM 1642 CG LEU A 131 19.396 -23.300 17.044 1.00 0.00 C ATOM 1643 CD1 LEU A 131 20.504 -23.667 16.054 1.00 0.00 C ATOM 1644 CD2 LEU A 131 19.794 -23.612 18.489 1.00 0.00 C ATOM 0 H LEU A 131 16.834 -19.607 16.450 1.00 0.00 H new ATOM 0 HA LEU A 131 17.036 -22.467 16.411 1.00 0.00 H new ATOM 0 HB2 LEU A 131 19.446 -21.442 15.984 1.00 0.00 H new ATOM 0 HB3 LEU A 131 19.400 -21.273 17.728 1.00 0.00 H new ATOM 0 HG LEU A 131 18.532 -23.921 16.806 1.00 0.00 H new ATOM 0 HD11 LEU A 131 20.776 -24.714 16.185 1.00 0.00 H new ATOM 0 HD12 LEU A 131 20.149 -23.509 15.036 1.00 0.00 H new ATOM 0 HD13 LEU A 131 21.377 -23.040 16.236 1.00 0.00 H new ATOM 0 HD21 LEU A 131 20.081 -24.661 18.569 1.00 0.00 H new ATOM 0 HD22 LEU A 131 20.635 -22.982 18.779 1.00 0.00 H new ATOM 0 HD23 LEU A 131 18.949 -23.416 19.150 1.00 0.00 H new ATOM 1655 N HIS A 132 16.344 -22.419 18.770 1.00 0.00 N ATOM 1656 CA HIS A 132 15.703 -22.348 20.072 1.00 0.00 C ATOM 1657 C HIS A 132 16.320 -23.394 21.004 1.00 0.00 C ATOM 1658 O HIS A 132 17.110 -24.229 20.569 1.00 0.00 O ATOM 1659 CB HIS A 132 14.186 -22.495 19.940 1.00 0.00 C ATOM 1660 CG HIS A 132 13.721 -23.917 19.728 1.00 0.00 C ATOM 1661 ND1 HIS A 132 13.681 -24.514 18.481 1.00 0.00 N ATOM 1662 CD2 HIS A 132 13.281 -24.852 20.618 1.00 0.00 C ATOM 1663 CE1 HIS A 132 13.233 -25.753 18.625 1.00 0.00 C ATOM 1664 NE2 HIS A 132 12.985 -25.960 19.951 1.00 0.00 N ATOM 0 H HIS A 132 16.375 -23.352 18.359 1.00 0.00 H new ATOM 0 HA HIS A 132 15.878 -21.367 20.514 1.00 0.00 H new ATOM 0 HB2 HIS A 132 13.714 -22.100 20.839 1.00 0.00 H new ATOM 0 HB3 HIS A 132 13.844 -21.884 19.105 1.00 0.00 H new ATOM 0 HD2 HIS A 132 13.189 -24.714 21.685 1.00 0.00 H new ATOM 0 HE1 HIS A 132 13.089 -26.472 17.832 1.00 0.00 H new ATOM 0 HE2 HIS A 132 12.631 -26.824 20.361 1.00 0.00 H new ATOM 1672 N TYR A 133 15.935 -23.312 22.269 1.00 0.00 N ATOM 1673 CA TYR A 133 16.441 -24.239 23.267 1.00 0.00 C ATOM 1674 C TYR A 133 16.255 -25.689 22.812 1.00 0.00 C ATOM 1675 O TYR A 133 15.378 -26.392 23.311 1.00 0.00 O ATOM 1676 CB TYR A 133 15.605 -24.002 24.526 1.00 0.00 C ATOM 1677 CG TYR A 133 16.167 -24.671 25.781 1.00 0.00 C ATOM 1678 CD1 TYR A 133 17.120 -24.023 26.542 1.00 0.00 C ATOM 1679 CD2 TYR A 133 15.721 -25.923 26.154 1.00 0.00 C ATOM 1680 CE1 TYR A 133 17.649 -24.655 27.724 1.00 0.00 C ATOM 1681 CE2 TYR A 133 16.249 -26.554 27.336 1.00 0.00 C ATOM 1682 CZ TYR A 133 17.187 -25.888 28.062 1.00 0.00 C ATOM 1683 OH TYR A 133 17.686 -26.484 29.179 1.00 0.00 O ATOM 0 H TYR A 133 15.278 -22.618 22.626 1.00 0.00 H new ATOM 0 HA TYR A 133 17.506 -24.077 23.436 1.00 0.00 H new ATOM 0 HB2 TYR A 133 15.528 -22.929 24.702 1.00 0.00 H new ATOM 0 HB3 TYR A 133 14.594 -24.370 24.353 1.00 0.00 H new ATOM 0 HD1 TYR A 133 17.469 -23.043 26.251 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.976 -26.430 25.559 1.00 0.00 H new ATOM 0 HE1 TYR A 133 18.396 -24.160 28.328 1.00 0.00 H new ATOM 0 HE2 TYR A 133 15.908 -27.533 27.639 1.00 0.00 H new ATOM 0 HH TYR A 133 17.264 -27.361 29.298 1.00 0.00 H new TER 1692 TYR A 133