USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 41 MET CE :methyl -168:sc= -0.238 (180deg=-0.495) USER MOD Set 1.2: A 76 MET CE :methyl -126:sc= -0.649 (180deg=-2.87!) USER MOD Set 1.3: A 80 HEM CMA :methyl -30:sc= -4.5! (180deg=-6.29!) USER MOD Set 2.1: A 32 GLN : amide:sc= 1.59 K(o=2.1,f=-3.3!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -155:sc= 0.489 (180deg=0) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -157:sc= 1.07 (180deg=0.496) USER MOD Set 3.2: A 9 SER OG : rot 88:sc= 0.968 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0.912 (180deg=0.896) USER MOD Single : A 7 TYR OH : rot 54:sc= -0.173 USER MOD Single : A 19 SER OG : rot -104:sc= 1.42 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0101) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 74:sc= 0.922 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.505 (180deg=0.353) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.11) USER MOD Single : A 38 TYR OH : rot 18:sc= 0.925 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0618) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.509 (180deg=-1.31) USER MOD Single : A 44 TYR OH : rot 157:sc= 1.04 USER MOD Single : A 48 SER OG : rot -94:sc= 0.322 USER MOD Single : A 49 TYR OH : rot -172:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0.72 (180deg=0.719) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 163:sc= -2.93 (180deg=-4.67!) USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.13 USER MOD Single : A 59 ASN : amide:sc= 0.979 K(o=0.98,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0271) USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= -0.0652 (180deg=-0.968) USER MOD Single : A 64 TYR OH : rot 131:sc= 0.985 USER MOD Single : A 65 SER OG : rot -84:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0712) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -40:sc= 0.566 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.16) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.35 (180deg=-1.69) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.469 (180deg=-0.469) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.0825 (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.764 -13.165 -3.766 1.00 0.00 N ATOM 2 CA ALA A 1 -1.610 -13.739 -4.477 1.00 0.00 C ATOM 3 C ALA A 1 -0.341 -13.163 -3.856 1.00 0.00 C ATOM 4 O ALA A 1 -0.467 -12.241 -3.055 1.00 0.00 O ATOM 5 CB ALA A 1 -1.677 -13.418 -5.974 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.645 -13.503 -4.204 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.738 -13.459 -2.769 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.725 -12.127 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.614 -14.825 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.814 -13.852 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.591 -13.836 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.673 -12.337 -6.115 1.00 0.00 H new ATOM 6 N ASP A 2 0.835 -13.690 -4.206 1.00 0.00 N ATOM 7 CA ASP A 2 2.136 -13.267 -3.696 1.00 0.00 C ATOM 8 C ASP A 2 2.242 -11.742 -3.630 1.00 0.00 C ATOM 9 O ASP A 2 2.246 -11.078 -4.666 1.00 0.00 O ATOM 10 CB ASP A 2 3.241 -13.833 -4.602 1.00 0.00 C ATOM 11 CG ASP A 2 3.170 -15.352 -4.710 1.00 0.00 C ATOM 12 OD1 ASP A 2 2.157 -15.822 -5.276 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.110 -16.007 -4.213 1.00 0.00 O ATOM 0 H ASP A 2 0.907 -14.453 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 2 2.252 -13.650 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.154 -13.395 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.216 -13.543 -4.209 1.00 0.00 H new ATOM 14 N GLY A 3 2.359 -11.193 -2.417 1.00 0.00 N ATOM 15 CA GLY A 3 2.451 -9.761 -2.182 1.00 0.00 C ATOM 16 C GLY A 3 3.478 -9.110 -3.100 1.00 0.00 C ATOM 17 O GLY A 3 3.163 -8.173 -3.824 1.00 0.00 O ATOM 0 H GLY A 3 2.392 -11.746 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.476 -9.302 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.723 -9.578 -1.142 1.00 0.00 H new ATOM 18 N ALA A 4 4.698 -9.644 -3.130 1.00 0.00 N ATOM 19 CA ALA A 4 5.765 -9.115 -3.971 1.00 0.00 C ATOM 20 C ALA A 4 5.363 -8.990 -5.448 1.00 0.00 C ATOM 21 O ALA A 4 5.849 -8.095 -6.136 1.00 0.00 O ATOM 22 CB ALA A 4 6.987 -10.030 -3.853 1.00 0.00 C ATOM 0 H ALA A 4 4.972 -10.453 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 4 5.989 -8.108 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.792 -9.644 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.318 -10.063 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.722 -11.035 -4.182 1.00 0.00 H new ATOM 23 N ALA A 5 4.473 -9.860 -5.942 1.00 0.00 N ATOM 24 CA ALA A 5 4.066 -9.840 -7.339 1.00 0.00 C ATOM 25 C ALA A 5 2.954 -8.827 -7.566 1.00 0.00 C ATOM 26 O ALA A 5 2.678 -8.471 -8.707 1.00 0.00 O ATOM 27 CB ALA A 5 3.622 -11.242 -7.766 1.00 0.00 C ATOM 0 H ALA A 5 4.023 -10.587 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 5 4.917 -9.538 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.318 -11.224 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.450 -11.940 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.782 -11.561 -7.149 1.00 0.00 H new ATOM 28 N LEU A 6 2.293 -8.374 -6.503 1.00 0.00 N ATOM 29 CA LEU A 6 1.255 -7.383 -6.598 1.00 0.00 C ATOM 30 C LEU A 6 1.932 -6.023 -6.420 1.00 0.00 C ATOM 31 O LEU A 6 1.769 -5.133 -7.259 1.00 0.00 O ATOM 32 CB LEU A 6 0.214 -7.690 -5.518 1.00 0.00 C ATOM 33 CG LEU A 6 -0.604 -8.965 -5.778 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.366 -9.334 -4.501 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.607 -8.779 -6.923 1.00 0.00 C ATOM 0 H LEU A 6 2.473 -8.694 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 6 0.733 -7.383 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.720 -7.786 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.468 -6.844 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 6 0.087 -9.758 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.950 -10.238 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.657 -9.510 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.034 -8.517 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.164 -9.704 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.299 -7.975 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.072 -8.525 -7.838 1.00 0.00 H new ATOM 36 N TYR A 7 2.762 -5.887 -5.373 1.00 0.00 N ATOM 37 CA TYR A 7 3.420 -4.632 -5.059 1.00 0.00 C ATOM 38 C TYR A 7 4.368 -4.126 -6.148 1.00 0.00 C ATOM 39 O TYR A 7 4.696 -2.938 -6.151 1.00 0.00 O ATOM 40 CB TYR A 7 4.110 -4.728 -3.691 1.00 0.00 C ATOM 41 CG TYR A 7 4.087 -3.411 -2.933 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.859 -2.757 -2.721 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.268 -2.825 -2.443 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.827 -1.466 -2.183 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.224 -1.554 -1.844 1.00 0.00 C ATOM 46 CZ TYR A 7 4.022 -0.828 -1.826 1.00 0.00 C ATOM 47 OH TYR A 7 3.995 0.438 -1.328 1.00 0.00 O ATOM 0 H TYR A 7 2.987 -6.646 -4.730 1.00 0.00 H new ATOM 0 HA TYR A 7 2.638 -3.874 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.619 -5.496 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.144 -5.045 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.935 -3.255 -2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.208 -3.351 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.882 -0.962 -2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.114 -1.136 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 7 3.386 0.475 -0.561 1.00 0.00 H new ATOM 48 N LYS A 8 4.804 -4.976 -7.085 1.00 0.00 N ATOM 49 CA LYS A 8 5.660 -4.525 -8.179 1.00 0.00 C ATOM 50 C LYS A 8 5.026 -3.316 -8.894 1.00 0.00 C ATOM 51 O LYS A 8 5.716 -2.387 -9.307 1.00 0.00 O ATOM 52 CB LYS A 8 5.892 -5.690 -9.154 1.00 0.00 C ATOM 53 CG LYS A 8 4.640 -6.038 -9.971 1.00 0.00 C ATOM 54 CD LYS A 8 4.838 -7.340 -10.749 1.00 0.00 C ATOM 55 CE LYS A 8 3.761 -7.502 -11.830 1.00 0.00 C ATOM 56 NZ LYS A 8 2.401 -7.314 -11.292 1.00 0.00 N ATOM 0 H LYS A 8 4.579 -5.971 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 8 6.623 -4.204 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.704 -5.433 -9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.211 -6.569 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.782 -6.135 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.416 -5.227 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.826 -7.346 -11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.801 -8.187 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.938 -6.780 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.841 -8.494 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.714 -7.794 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.348 -7.717 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.180 -6.298 -11.253 1.00 0.00 H new ATOM 57 N SER A 9 3.692 -3.315 -8.992 1.00 0.00 N ATOM 58 CA SER A 9 2.890 -2.292 -9.645 1.00 0.00 C ATOM 59 C SER A 9 2.825 -0.980 -8.846 1.00 0.00 C ATOM 60 O SER A 9 2.329 0.024 -9.349 1.00 0.00 O ATOM 61 CB SER A 9 1.478 -2.875 -9.846 1.00 0.00 C ATOM 62 OG SER A 9 1.510 -4.297 -9.906 1.00 0.00 O ATOM 0 H SER A 9 3.123 -4.064 -8.598 1.00 0.00 H new ATOM 0 HA SER A 9 3.353 -2.033 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.831 -2.558 -9.028 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.046 -2.480 -10.765 1.00 0.00 H new ATOM 0 HG SER A 9 1.441 -4.664 -9.000 1.00 0.00 H new ATOM 63 N CYS A 10 3.307 -0.993 -7.602 1.00 0.00 N ATOM 64 CA CYS A 10 3.305 0.093 -6.636 1.00 0.00 C ATOM 65 C CYS A 10 4.715 0.646 -6.465 1.00 0.00 C ATOM 66 O CYS A 10 4.899 1.848 -6.253 1.00 0.00 O ATOM 67 CB CYS A 10 2.786 -0.483 -5.317 1.00 0.00 C ATOM 68 SG CYS A 10 1.364 -1.609 -5.480 1.00 0.00 S ATOM 0 H CYS A 10 3.742 -1.833 -7.219 1.00 0.00 H new ATOM 0 HA CYS A 10 2.671 0.914 -6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.599 -1.017 -4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.505 0.342 -4.663 1.00 0.00 H new ATOM 69 N ILE A 11 5.708 -0.246 -6.576 1.00 0.00 N ATOM 70 CA ILE A 11 7.137 0.044 -6.502 1.00 0.00 C ATOM 71 C ILE A 11 7.477 1.275 -7.360 1.00 0.00 C ATOM 72 O ILE A 11 8.398 2.014 -7.030 1.00 0.00 O ATOM 73 CB ILE A 11 7.917 -1.240 -6.898 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.695 -1.832 -5.710 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.923 -1.017 -8.038 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.826 -2.262 -4.521 1.00 0.00 C ATOM 0 H ILE A 11 5.522 -1.237 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 11 7.437 0.308 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 11 7.143 -1.930 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.261 -2.696 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.419 -1.094 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.432 -1.954 -8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.395 -0.668 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.656 -0.270 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.462 -2.666 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.279 -1.400 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.119 -3.026 -4.845 1.00 0.00 H new ATOM 77 N GLY A 12 6.740 1.522 -8.448 1.00 0.00 N ATOM 78 CA GLY A 12 6.952 2.690 -9.291 1.00 0.00 C ATOM 79 C GLY A 12 6.862 3.998 -8.489 1.00 0.00 C ATOM 80 O GLY A 12 7.700 4.881 -8.659 1.00 0.00 O ATOM 0 H GLY A 12 5.983 0.916 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.930 2.622 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.210 2.701 -10.089 1.00 0.00 H new ATOM 81 N CYS A 13 5.853 4.130 -7.618 1.00 0.00 N ATOM 82 CA CYS A 13 5.658 5.326 -6.794 1.00 0.00 C ATOM 83 C CYS A 13 6.383 5.184 -5.458 1.00 0.00 C ATOM 84 O CYS A 13 6.946 6.152 -4.956 1.00 0.00 O ATOM 85 CB CYS A 13 4.164 5.582 -6.512 1.00 0.00 C ATOM 86 SG CYS A 13 3.328 6.743 -7.633 1.00 0.00 S ATOM 0 H CYS A 13 5.149 3.408 -7.466 1.00 0.00 H new ATOM 0 HA CYS A 13 6.066 6.167 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.639 4.628 -6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.066 5.958 -5.493 1.00 0.00 H new ATOM 87 N HIS A 14 6.354 3.984 -4.875 1.00 0.00 N ATOM 88 CA HIS A 14 6.921 3.722 -3.557 1.00 0.00 C ATOM 89 C HIS A 14 8.425 3.433 -3.530 1.00 0.00 C ATOM 90 O HIS A 14 9.041 3.529 -2.471 1.00 0.00 O ATOM 91 CB HIS A 14 6.111 2.576 -2.951 1.00 0.00 C ATOM 92 CG HIS A 14 4.762 3.060 -2.517 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.614 3.742 -1.326 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.510 3.015 -3.080 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.333 4.117 -1.247 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.585 3.626 -2.239 1.00 0.00 N ATOM 0 H HIS A 14 5.933 3.163 -5.310 1.00 0.00 H new ATOM 0 HA HIS A 14 6.845 4.636 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.999 1.776 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.645 2.156 -2.098 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.343 3.925 -0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.277 2.570 -4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.944 4.750 -0.463 1.00 0.00 H new ATOM 97 N GLY A 15 9.044 3.111 -4.661 1.00 0.00 N ATOM 98 CA GLY A 15 10.462 2.791 -4.713 1.00 0.00 C ATOM 99 C GLY A 15 10.685 1.310 -4.403 1.00 0.00 C ATOM 100 O GLY A 15 9.863 0.675 -3.742 1.00 0.00 O ATOM 0 H GLY A 15 8.575 3.065 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.859 3.026 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.007 3.405 -3.996 1.00 0.00 H new ATOM 101 N ALA A 16 11.816 0.779 -4.887 1.00 0.00 N ATOM 102 CA ALA A 16 12.266 -0.609 -4.775 1.00 0.00 C ATOM 103 C ALA A 16 11.772 -1.328 -3.515 1.00 0.00 C ATOM 104 O ALA A 16 11.066 -2.328 -3.614 1.00 0.00 O ATOM 105 CB ALA A 16 13.797 -0.633 -4.832 1.00 0.00 C ATOM 0 H ALA A 16 12.485 1.351 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 16 11.830 -1.156 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.148 -1.662 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.133 -0.210 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.201 -0.045 -4.008 1.00 0.00 H new ATOM 106 N ASP A 17 12.158 -0.836 -2.336 1.00 0.00 N ATOM 107 CA ASP A 17 11.836 -1.344 -1.037 1.00 0.00 C ATOM 108 C ASP A 17 10.909 -0.361 -0.326 1.00 0.00 C ATOM 109 O ASP A 17 11.173 0.008 0.812 1.00 0.00 O ATOM 110 CB ASP A 17 13.143 -1.581 -0.260 1.00 0.00 C ATOM 111 CG ASP A 17 13.949 -0.308 0.003 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.032 0.524 -0.930 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.478 -0.185 1.128 1.00 0.00 O ATOM 0 H ASP A 17 12.750 -0.007 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 17 11.310 -2.296 -1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.906 -2.053 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.763 -2.283 -0.818 1.00 0.00 H new ATOM 114 N GLY A 18 9.857 0.098 -1.013 1.00 0.00 N ATOM 115 CA GLY A 18 8.837 1.033 -0.536 1.00 0.00 C ATOM 116 C GLY A 18 9.349 2.163 0.363 1.00 0.00 C ATOM 117 O GLY A 18 8.639 2.645 1.248 1.00 0.00 O ATOM 0 H GLY A 18 9.686 -0.193 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.342 1.476 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.081 0.471 0.012 1.00 0.00 H new ATOM 118 N SER A 19 10.587 2.576 0.120 1.00 0.00 N ATOM 119 CA SER A 19 11.327 3.594 0.838 1.00 0.00 C ATOM 120 C SER A 19 10.997 5.016 0.384 1.00 0.00 C ATOM 121 O SER A 19 11.165 5.958 1.157 1.00 0.00 O ATOM 122 CB SER A 19 12.808 3.286 0.597 1.00 0.00 C ATOM 123 OG SER A 19 12.998 2.971 -0.773 1.00 0.00 O ATOM 0 H SER A 19 11.136 2.176 -0.641 1.00 0.00 H new ATOM 0 HA SER A 19 11.060 3.565 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.421 4.144 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.126 2.452 1.223 1.00 0.00 H new ATOM 0 HG SER A 19 13.117 2.003 -0.873 1.00 0.00 H new ATOM 124 N LYS A 20 10.554 5.192 -0.861 1.00 0.00 N ATOM 125 CA LYS A 20 10.260 6.505 -1.397 1.00 0.00 C ATOM 126 C LYS A 20 8.979 7.060 -0.784 1.00 0.00 C ATOM 127 O LYS A 20 7.942 6.393 -0.756 1.00 0.00 O ATOM 128 CB LYS A 20 10.122 6.429 -2.926 1.00 0.00 C ATOM 129 CG LYS A 20 10.387 7.784 -3.598 1.00 0.00 C ATOM 130 CD LYS A 20 9.843 7.844 -5.034 1.00 0.00 C ATOM 131 CE LYS A 20 10.242 6.650 -5.912 1.00 0.00 C ATOM 132 NZ LYS A 20 11.704 6.498 -6.005 1.00 0.00 N ATOM 0 H LYS A 20 10.392 4.428 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 20 11.082 7.175 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.820 5.689 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.119 6.088 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.928 8.576 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.460 7.976 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.755 7.904 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.196 8.761 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.808 5.738 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.827 6.780 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.931 5.691 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.118 7.365 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.097 6.331 -5.057 1.00 0.00 H new ATOM 133 N ALA A 21 9.055 8.302 -0.304 1.00 0.00 N ATOM 134 CA ALA A 21 7.906 9.014 0.222 1.00 0.00 C ATOM 135 C ALA A 21 7.091 9.412 -1.007 1.00 0.00 C ATOM 136 O ALA A 21 7.204 10.526 -1.508 1.00 0.00 O ATOM 137 CB ALA A 21 8.366 10.224 1.042 1.00 0.00 C ATOM 0 H ALA A 21 9.922 8.838 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 21 7.304 8.412 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.495 10.751 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.988 9.886 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.943 10.896 0.407 1.00 0.00 H new ATOM 138 N ALA A 22 6.316 8.455 -1.522 1.00 0.00 N ATOM 139 CA ALA A 22 5.534 8.573 -2.738 1.00 0.00 C ATOM 140 C ALA A 22 4.838 9.922 -2.933 1.00 0.00 C ATOM 141 O ALA A 22 4.194 10.423 -2.015 1.00 0.00 O ATOM 142 CB ALA A 22 4.531 7.421 -2.810 1.00 0.00 C ATOM 0 H ALA A 22 6.217 7.542 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 22 6.244 8.515 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.942 7.508 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.067 6.472 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.868 7.461 -1.946 1.00 0.00 H new ATOM 143 N MET A 23 4.977 10.444 -4.162 1.00 0.00 N ATOM 144 CA MET A 23 4.468 11.678 -4.760 1.00 0.00 C ATOM 145 C MET A 23 4.049 12.770 -3.774 1.00 0.00 C ATOM 146 O MET A 23 4.741 13.777 -3.654 1.00 0.00 O ATOM 147 CB MET A 23 3.322 11.325 -5.722 1.00 0.00 C ATOM 148 CG MET A 23 3.788 10.402 -6.858 1.00 0.00 C ATOM 149 SD MET A 23 5.137 11.024 -7.893 1.00 0.00 S ATOM 150 CE MET A 23 5.371 9.600 -8.979 1.00 0.00 C ATOM 0 H MET A 23 5.528 9.933 -4.851 1.00 0.00 H new ATOM 0 HA MET A 23 5.306 12.127 -5.294 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.519 10.840 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.909 12.241 -6.145 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.101 9.453 -6.422 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.933 10.191 -7.500 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.172 9.811 -9.688 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.635 8.727 -8.382 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.448 9.402 -9.524 1.00 0.00 H new ATOM 151 N GLY A 24 2.896 12.614 -3.117 1.00 0.00 N ATOM 152 CA GLY A 24 2.403 13.588 -2.153 1.00 0.00 C ATOM 153 C GLY A 24 3.453 13.909 -1.090 1.00 0.00 C ATOM 154 O GLY A 24 3.571 15.060 -0.673 1.00 0.00 O ATOM 0 H GLY A 24 2.283 11.809 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.119 14.503 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.504 13.202 -1.672 1.00 0.00 H new ATOM 155 N SER A 25 4.209 12.875 -0.706 1.00 0.00 N ATOM 156 CA SER A 25 5.286 12.765 0.271 1.00 0.00 C ATOM 157 C SER A 25 4.851 11.696 1.272 1.00 0.00 C ATOM 158 O SER A 25 4.779 11.977 2.468 1.00 0.00 O ATOM 159 CB SER A 25 5.615 14.084 0.992 1.00 0.00 C ATOM 160 OG SER A 25 6.118 15.044 0.084 1.00 0.00 O ATOM 0 H SER A 25 4.051 11.966 -1.141 1.00 0.00 H new ATOM 0 HA SER A 25 6.208 12.500 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.719 14.471 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.349 13.901 1.777 1.00 0.00 H new ATOM 0 HG SER A 25 5.384 15.392 -0.465 1.00 0.00 H new ATOM 161 N ALA A 26 4.560 10.468 0.810 1.00 0.00 N ATOM 162 CA ALA A 26 4.098 9.441 1.714 1.00 0.00 C ATOM 163 C ALA A 26 5.003 9.190 2.906 1.00 0.00 C ATOM 164 O ALA A 26 6.224 9.269 2.809 1.00 0.00 O ATOM 165 CB ALA A 26 3.987 8.122 0.945 1.00 0.00 C ATOM 0 H ALA A 26 4.639 10.181 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 26 3.144 9.798 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.639 7.337 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.279 8.238 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.964 7.850 0.546 1.00 0.00 H new ATOM 166 N LYS A 27 4.388 8.854 4.038 1.00 0.00 N ATOM 167 CA LYS A 27 5.124 8.430 5.209 1.00 0.00 C ATOM 168 C LYS A 27 5.723 7.115 4.698 1.00 0.00 C ATOM 169 O LYS A 27 4.927 6.242 4.343 1.00 0.00 O ATOM 170 CB LYS A 27 4.178 8.210 6.400 1.00 0.00 C ATOM 171 CG LYS A 27 3.491 9.491 6.909 1.00 0.00 C ATOM 172 CD LYS A 27 2.361 10.069 6.035 1.00 0.00 C ATOM 173 CE LYS A 27 1.243 9.054 5.747 1.00 0.00 C ATOM 174 NZ LYS A 27 0.078 9.698 5.113 1.00 0.00 N ATOM 0 H LYS A 27 3.376 8.870 4.161 1.00 0.00 H new ATOM 0 HA LYS A 27 5.862 9.142 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.411 7.491 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.742 7.764 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.084 9.287 7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.254 10.260 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.934 10.940 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.781 10.416 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.624 8.267 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.935 8.577 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.732 9.046 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.164 10.566 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.307 9.936 4.127 1.00 0.00 H new ATOM 175 N PRO A 28 7.058 6.984 4.562 1.00 0.00 N ATOM 176 CA PRO A 28 7.695 5.807 3.989 1.00 0.00 C ATOM 177 C PRO A 28 6.944 4.524 4.315 1.00 0.00 C ATOM 178 O PRO A 28 6.734 4.210 5.484 1.00 0.00 O ATOM 179 CB PRO A 28 9.120 5.793 4.528 1.00 0.00 C ATOM 180 CG PRO A 28 9.420 7.284 4.680 1.00 0.00 C ATOM 181 CD PRO A 28 8.071 7.891 5.079 1.00 0.00 C ATOM 0 HA PRO A 28 7.690 5.856 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.191 5.264 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.811 5.306 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.180 7.463 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.792 7.714 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.992 7.989 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.952 8.890 4.659 1.00 0.00 H new ATOM 182 N VAL A 29 6.486 3.829 3.272 1.00 0.00 N ATOM 183 CA VAL A 29 5.753 2.581 3.425 1.00 0.00 C ATOM 184 C VAL A 29 6.687 1.660 4.219 1.00 0.00 C ATOM 185 O VAL A 29 6.266 1.014 5.175 1.00 0.00 O ATOM 186 CB VAL A 29 5.340 2.048 2.041 1.00 0.00 C ATOM 187 CG1 VAL A 29 5.142 0.537 2.009 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.995 2.665 1.651 1.00 0.00 C ATOM 0 H VAL A 29 6.615 4.118 2.302 1.00 0.00 H new ATOM 0 HA VAL A 29 4.812 2.681 3.967 1.00 0.00 H new ATOM 0 HB VAL A 29 6.149 2.312 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.852 0.229 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.073 0.042 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.359 0.258 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.694 2.293 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.242 2.392 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.090 3.750 1.614 1.00 0.00 H new ATOM 189 N LYS A 30 7.964 1.607 3.823 1.00 0.00 N ATOM 190 CA LYS A 30 9.002 0.898 4.541 1.00 0.00 C ATOM 191 C LYS A 30 9.016 1.295 6.004 1.00 0.00 C ATOM 192 O LYS A 30 9.341 2.429 6.355 1.00 0.00 O ATOM 193 CB LYS A 30 10.356 1.228 3.918 1.00 0.00 C ATOM 194 CG LYS A 30 11.603 0.854 4.739 1.00 0.00 C ATOM 195 CD LYS A 30 12.844 1.080 3.867 1.00 0.00 C ATOM 196 CE LYS A 30 14.109 0.478 4.488 1.00 0.00 C ATOM 197 NZ LYS A 30 14.144 -0.988 4.335 1.00 0.00 N ATOM 0 H LYS A 30 8.300 2.068 2.977 1.00 0.00 H new ATOM 0 HA LYS A 30 8.804 -0.172 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.419 0.723 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.388 2.299 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.659 1.462 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.548 -0.187 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.680 0.639 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.990 2.150 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.990 0.915 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.153 0.735 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.070 -1.347 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.396 -1.416 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.991 -1.237 3.337 1.00 0.00 H new ATOM 198 N GLY A 31 8.681 0.324 6.840 1.00 0.00 N ATOM 199 CA GLY A 31 8.661 0.477 8.279 1.00 0.00 C ATOM 200 C GLY A 31 7.239 0.372 8.791 1.00 0.00 C ATOM 201 O GLY A 31 7.043 0.045 9.961 1.00 0.00 O ATOM 0 H GLY A 31 8.411 -0.608 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.281 -0.290 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.086 1.442 8.556 1.00 0.00 H new ATOM 202 N GLN A 32 6.239 0.659 7.946 1.00 0.00 N ATOM 203 CA GLN A 32 4.876 0.536 8.384 1.00 0.00 C ATOM 204 C GLN A 32 4.621 -0.963 8.635 1.00 0.00 C ATOM 205 O GLN A 32 5.144 -1.812 7.915 1.00 0.00 O ATOM 206 CB GLN A 32 3.902 1.185 7.388 1.00 0.00 C ATOM 207 CG GLN A 32 4.106 2.695 7.082 1.00 0.00 C ATOM 208 CD GLN A 32 2.958 3.305 6.248 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.816 2.900 6.448 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.191 4.265 5.335 1.00 0.00 N ATOM 0 H GLN A 32 6.361 0.969 6.982 1.00 0.00 H new ATOM 0 HA GLN A 32 4.701 1.082 9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.965 0.638 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.889 1.050 7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.195 3.241 8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.046 2.827 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.142 4.596 5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.416 4.662 4.803 1.00 0.00 H new ATOM 211 N GLY A 33 3.855 -1.300 9.675 1.00 0.00 N ATOM 212 CA GLY A 33 3.608 -2.694 10.056 1.00 0.00 C ATOM 213 C GLY A 33 2.468 -3.327 9.263 1.00 0.00 C ATOM 214 O GLY A 33 1.520 -2.631 8.932 1.00 0.00 O ATOM 0 H GLY A 33 3.390 -0.618 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.518 -3.275 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.375 -2.740 11.120 1.00 0.00 H new ATOM 215 N ALA A 34 2.509 -4.638 8.987 1.00 0.00 N ATOM 216 CA ALA A 34 1.498 -5.368 8.225 1.00 0.00 C ATOM 217 C ALA A 34 0.082 -5.017 8.660 1.00 0.00 C ATOM 218 O ALA A 34 -0.764 -4.720 7.827 1.00 0.00 O ATOM 219 CB ALA A 34 1.712 -6.878 8.384 1.00 0.00 C ATOM 0 H ALA A 34 3.274 -5.235 9.301 1.00 0.00 H new ATOM 0 HA ALA A 34 1.611 -5.076 7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.954 -7.415 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.702 -7.146 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.632 -7.148 9.437 1.00 0.00 H new ATOM 220 N GLU A 35 -0.177 -5.049 9.966 1.00 0.00 N ATOM 221 CA GLU A 35 -1.506 -4.731 10.483 1.00 0.00 C ATOM 222 C GLU A 35 -1.895 -3.301 10.089 1.00 0.00 C ATOM 223 O GLU A 35 -3.030 -3.042 9.696 1.00 0.00 O ATOM 224 CB GLU A 35 -1.525 -4.927 12.007 1.00 0.00 C ATOM 225 CG GLU A 35 -2.900 -4.629 12.631 1.00 0.00 C ATOM 226 CD GLU A 35 -4.030 -5.451 12.013 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.836 -6.679 11.884 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.067 -4.836 11.679 1.00 0.00 O ATOM 0 H GLU A 35 0.510 -5.290 10.680 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.244 -5.404 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.240 -5.953 12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.777 -4.278 12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.857 -4.829 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.124 -3.569 12.513 1.00 0.00 H new ATOM 229 N GLU A 36 -0.935 -2.381 10.189 1.00 0.00 N ATOM 230 CA GLU A 36 -1.082 -0.976 9.864 1.00 0.00 C ATOM 231 C GLU A 36 -1.448 -0.862 8.390 1.00 0.00 C ATOM 232 O GLU A 36 -2.517 -0.386 8.023 1.00 0.00 O ATOM 233 CB GLU A 36 0.274 -0.299 10.145 1.00 0.00 C ATOM 234 CG GLU A 36 0.178 1.090 10.776 1.00 0.00 C ATOM 235 CD GLU A 36 1.551 1.761 10.834 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.558 1.015 10.816 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.569 3.010 10.876 1.00 0.00 O ATOM 0 H GLU A 36 0.004 -2.612 10.513 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.862 -0.497 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.856 -0.943 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.826 -0.220 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.509 1.709 10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.234 1.009 11.782 1.00 0.00 H new ATOM 238 N LEU A 37 -0.521 -1.343 7.566 1.00 0.00 N ATOM 239 CA LEU A 37 -0.578 -1.378 6.120 1.00 0.00 C ATOM 240 C LEU A 37 -1.921 -1.950 5.663 1.00 0.00 C ATOM 241 O LEU A 37 -2.568 -1.397 4.779 1.00 0.00 O ATOM 242 CB LEU A 37 0.589 -2.248 5.627 1.00 0.00 C ATOM 243 CG LEU A 37 1.970 -1.593 5.807 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.074 -2.652 5.778 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.235 -0.632 4.653 1.00 0.00 C ATOM 0 H LEU A 37 0.346 -1.744 7.922 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.491 -0.374 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.574 -3.197 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.440 -2.476 4.572 1.00 0.00 H new ATOM 0 HG LEU A 37 1.972 -1.071 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.043 -2.171 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.914 -3.367 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.052 -3.174 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.213 -0.169 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.214 -1.180 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.467 0.141 4.640 1.00 0.00 H new ATOM 246 N TYR A 38 -2.345 -3.053 6.278 1.00 0.00 N ATOM 247 CA TYR A 38 -3.583 -3.732 5.947 1.00 0.00 C ATOM 248 C TYR A 38 -4.800 -2.926 6.365 1.00 0.00 C ATOM 249 O TYR A 38 -5.732 -2.794 5.578 1.00 0.00 O ATOM 250 CB TYR A 38 -3.599 -5.102 6.622 1.00 0.00 C ATOM 251 CG TYR A 38 -4.715 -6.040 6.194 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.043 -6.179 4.832 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.347 -6.867 7.145 1.00 0.00 C ATOM 254 CE1 TYR A 38 -5.997 -7.124 4.431 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.270 -7.846 6.730 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.571 -7.993 5.366 1.00 0.00 C ATOM 257 OH TYR A 38 -7.322 -9.041 4.930 1.00 0.00 O ATOM 0 H TYR A 38 -1.825 -3.502 7.032 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.631 -3.849 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.645 -5.592 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.669 -4.954 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.558 -5.556 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.123 -6.749 8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.291 -7.182 3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.746 -8.484 7.460 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.127 -9.212 3.985 1.00 0.00 H new ATOM 258 N LYS A 39 -4.828 -2.409 7.595 1.00 0.00 N ATOM 259 CA LYS A 39 -5.956 -1.614 8.054 1.00 0.00 C ATOM 260 C LYS A 39 -6.099 -0.390 7.147 1.00 0.00 C ATOM 261 O LYS A 39 -7.203 -0.023 6.741 1.00 0.00 O ATOM 262 CB LYS A 39 -5.728 -1.224 9.520 1.00 0.00 C ATOM 263 CG LYS A 39 -6.940 -0.500 10.119 1.00 0.00 C ATOM 264 CD LYS A 39 -6.684 -0.210 11.604 1.00 0.00 C ATOM 265 CE LYS A 39 -7.836 0.576 12.240 1.00 0.00 C ATOM 266 NZ LYS A 39 -9.098 -0.185 12.228 1.00 0.00 N ATOM 0 H LYS A 39 -4.085 -2.528 8.283 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.885 -2.182 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.516 -2.119 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.850 -0.581 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.122 0.431 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.834 -1.113 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.547 -1.150 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.758 0.355 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.577 0.831 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.974 1.515 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.820 0.331 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.422 -0.304 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.944 -1.119 12.658 1.00 0.00 H new ATOM 267 N LYS A 40 -4.967 0.223 6.804 1.00 0.00 N ATOM 268 CA LYS A 40 -4.919 1.391 5.970 1.00 0.00 C ATOM 269 C LYS A 40 -5.410 1.051 4.563 1.00 0.00 C ATOM 270 O LYS A 40 -6.307 1.717 4.050 1.00 0.00 O ATOM 271 CB LYS A 40 -3.480 1.895 5.991 1.00 0.00 C ATOM 272 CG LYS A 40 -3.173 2.680 7.278 1.00 0.00 C ATOM 273 CD LYS A 40 -1.785 3.302 7.128 1.00 0.00 C ATOM 274 CE LYS A 40 -1.347 4.183 8.297 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.022 4.768 8.014 1.00 0.00 N ATOM 0 H LYS A 40 -4.048 -0.096 7.111 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.578 2.179 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.797 1.050 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.305 2.533 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.923 3.454 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.204 2.019 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.056 2.502 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.766 3.898 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.077 4.976 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.306 3.594 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.455 4.996 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.552 4.085 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.138 5.636 7.453 1.00 0.00 H new ATOM 276 N MET A 41 -4.852 0.012 3.932 1.00 0.00 N ATOM 277 CA MET A 41 -5.289 -0.378 2.603 1.00 0.00 C ATOM 278 C MET A 41 -6.758 -0.756 2.620 1.00 0.00 C ATOM 279 O MET A 41 -7.468 -0.391 1.698 1.00 0.00 O ATOM 280 CB MET A 41 -4.489 -1.555 2.064 1.00 0.00 C ATOM 281 CG MET A 41 -3.196 -1.086 1.406 1.00 0.00 C ATOM 282 SD MET A 41 -2.370 -2.356 0.422 1.00 0.00 S ATOM 283 CE MET A 41 -2.069 -3.552 1.732 1.00 0.00 C ATOM 0 H MET A 41 -4.105 -0.563 4.322 1.00 0.00 H new ATOM 0 HA MET A 41 -5.128 0.481 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.258 -2.244 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.090 -2.106 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.415 -0.231 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.512 -0.738 2.180 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.380 -4.317 1.375 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.634 -3.046 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.010 -4.019 2.022 1.00 0.00 H new ATOM 284 N LYS A 42 -7.221 -1.499 3.623 1.00 0.00 N ATOM 285 CA LYS A 42 -8.624 -1.865 3.726 1.00 0.00 C ATOM 286 C LYS A 42 -9.443 -0.572 3.733 1.00 0.00 C ATOM 287 O LYS A 42 -10.432 -0.458 3.014 1.00 0.00 O ATOM 288 CB LYS A 42 -8.805 -2.744 4.967 1.00 0.00 C ATOM 289 CG LYS A 42 -10.250 -3.191 5.201 1.00 0.00 C ATOM 290 CD LYS A 42 -10.332 -4.433 6.105 1.00 0.00 C ATOM 291 CE LYS A 42 -9.603 -4.289 7.451 1.00 0.00 C ATOM 292 NZ LYS A 42 -8.163 -4.602 7.357 1.00 0.00 N ATOM 0 H LYS A 42 -6.638 -1.859 4.378 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.978 -2.458 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.172 -3.626 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.457 -2.196 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.813 -2.375 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.721 -3.409 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.381 -4.659 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.915 -5.285 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.726 -3.270 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.067 -4.950 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.793 -4.822 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.026 -5.423 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.654 -3.783 6.968 1.00 0.00 H new ATOM 293 N GLY A 43 -8.998 0.428 4.496 1.00 0.00 N ATOM 294 CA GLY A 43 -9.664 1.715 4.515 1.00 0.00 C ATOM 295 C GLY A 43 -9.656 2.359 3.128 1.00 0.00 C ATOM 296 O GLY A 43 -10.696 2.824 2.676 1.00 0.00 O ATOM 0 H GLY A 43 -8.182 0.364 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.692 1.591 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.169 2.374 5.228 1.00 0.00 H new ATOM 297 N TYR A 44 -8.505 2.405 2.440 1.00 0.00 N ATOM 298 CA TYR A 44 -8.424 2.987 1.103 1.00 0.00 C ATOM 299 C TYR A 44 -9.273 2.186 0.114 1.00 0.00 C ATOM 300 O TYR A 44 -9.812 2.767 -0.824 1.00 0.00 O ATOM 301 CB TYR A 44 -6.974 3.016 0.595 1.00 0.00 C ATOM 302 CG TYR A 44 -6.043 4.046 1.211 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.411 5.406 1.245 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.722 3.684 1.538 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.502 6.373 1.706 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.797 4.665 1.935 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.195 6.004 2.054 1.00 0.00 C ATOM 308 OH TYR A 44 -3.340 6.932 2.565 1.00 0.00 O ATOM 0 H TYR A 44 -7.619 2.044 2.793 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.800 4.008 1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.540 2.029 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.997 3.182 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.395 5.706 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.419 2.649 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.811 7.404 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.776 4.386 2.149 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.635 6.481 3.076 1.00 0.00 H new ATOM 309 N ALA A 45 -9.374 0.867 0.311 1.00 0.00 N ATOM 310 CA ALA A 45 -10.133 -0.044 -0.530 1.00 0.00 C ATOM 311 C ALA A 45 -11.562 0.490 -0.625 1.00 0.00 C ATOM 312 O ALA A 45 -12.135 0.516 -1.712 1.00 0.00 O ATOM 313 CB ALA A 45 -10.136 -1.468 0.035 1.00 0.00 C ATOM 0 H ALA A 45 -8.911 0.396 1.088 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.671 -0.096 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.713 -2.119 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.112 -1.835 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.585 -1.464 1.028 1.00 0.00 H new ATOM 314 N ASP A 46 -12.134 0.915 0.514 1.00 0.00 N ATOM 315 CA ASP A 46 -13.492 1.459 0.522 1.00 0.00 C ATOM 316 C ASP A 46 -13.477 2.976 0.264 1.00 0.00 C ATOM 317 O ASP A 46 -14.378 3.485 -0.399 1.00 0.00 O ATOM 318 CB ASP A 46 -14.224 1.069 1.813 1.00 0.00 C ATOM 319 CG ASP A 46 -13.644 1.700 3.066 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.836 2.922 3.233 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.025 0.964 3.860 1.00 0.00 O ATOM 0 H ASP A 46 -11.680 0.891 1.427 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.058 1.017 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.272 1.356 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.199 -0.015 1.920 1.00 0.00 H new ATOM 322 N GLY A 47 -12.465 3.693 0.768 1.00 0.00 N ATOM 323 CA GLY A 47 -12.271 5.129 0.592 1.00 0.00 C ATOM 324 C GLY A 47 -12.289 5.953 1.887 1.00 0.00 C ATOM 325 O GLY A 47 -12.088 7.164 1.824 1.00 0.00 O ATOM 0 H GLY A 47 -11.731 3.266 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.318 5.292 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.049 5.506 -0.071 1.00 0.00 H new ATOM 326 N SER A 48 -12.524 5.354 3.059 1.00 0.00 N ATOM 327 CA SER A 48 -12.590 6.019 4.324 1.00 0.00 C ATOM 328 C SER A 48 -11.234 6.581 4.763 1.00 0.00 C ATOM 329 O SER A 48 -11.113 7.780 5.010 1.00 0.00 O ATOM 330 CB SER A 48 -13.114 4.936 5.258 1.00 0.00 C ATOM 331 OG SER A 48 -12.287 3.785 5.224 1.00 0.00 O ATOM 0 H SER A 48 -12.677 4.348 3.134 1.00 0.00 H new ATOM 0 HA SER A 48 -13.230 6.901 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.162 5.322 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.130 4.665 4.971 1.00 0.00 H new ATOM 0 HG SER A 48 -12.640 3.148 4.569 1.00 0.00 H new ATOM 332 N TYR A 49 -10.217 5.721 4.895 1.00 0.00 N ATOM 333 CA TYR A 49 -8.889 6.156 5.306 1.00 0.00 C ATOM 334 C TYR A 49 -8.334 7.097 4.235 1.00 0.00 C ATOM 335 O TYR A 49 -8.611 6.908 3.052 1.00 0.00 O ATOM 336 CB TYR A 49 -7.981 4.944 5.532 1.00 0.00 C ATOM 337 CG TYR A 49 -6.537 5.288 5.843 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.207 6.105 6.942 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.521 4.846 4.981 1.00 0.00 C ATOM 340 CE1 TYR A 49 -4.883 6.550 7.118 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.196 5.245 5.194 1.00 0.00 C ATOM 342 CZ TYR A 49 -3.885 6.164 6.206 1.00 0.00 C ATOM 343 OH TYR A 49 -2.601 6.597 6.361 1.00 0.00 O ATOM 0 H TYR A 49 -10.295 4.719 4.721 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.939 6.695 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.385 4.352 6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.008 4.315 4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.971 6.390 7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.762 4.197 4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.634 7.188 7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.408 4.842 4.575 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.072 6.341 5.577 1.00 0.00 H new ATOM 344 N GLY A 50 -7.556 8.102 4.650 1.00 0.00 N ATOM 345 CA GLY A 50 -7.011 9.100 3.748 1.00 0.00 C ATOM 346 C GLY A 50 -5.510 9.315 3.867 1.00 0.00 C ATOM 347 O GLY A 50 -4.825 8.687 4.669 1.00 0.00 O ATOM 0 H GLY A 50 -7.291 8.239 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.242 8.808 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.515 10.049 3.931 1.00 0.00 H new ATOM 348 N GLY A 51 -5.034 10.259 3.054 1.00 0.00 N ATOM 349 CA GLY A 51 -3.695 10.708 2.876 1.00 0.00 C ATOM 350 C GLY A 51 -3.681 11.721 1.736 1.00 0.00 C ATOM 351 O GLY A 51 -4.693 11.914 1.057 1.00 0.00 O ATOM 0 H GLY A 51 -5.670 10.772 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.321 11.163 3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.039 9.868 2.646 1.00 0.00 H new ATOM 352 N GLU A 52 -2.521 12.340 1.544 1.00 0.00 N ATOM 353 CA GLU A 52 -2.212 13.360 0.549 1.00 0.00 C ATOM 354 C GLU A 52 -2.742 13.008 -0.847 1.00 0.00 C ATOM 355 O GLU A 52 -3.203 13.895 -1.563 1.00 0.00 O ATOM 356 CB GLU A 52 -0.689 13.549 0.495 1.00 0.00 C ATOM 357 CG GLU A 52 -0.110 14.029 1.836 1.00 0.00 C ATOM 358 CD GLU A 52 1.415 14.077 1.809 1.00 0.00 C ATOM 359 OE1 GLU A 52 2.009 13.053 1.407 1.00 0.00 O ATOM 360 OE2 GLU A 52 1.960 15.133 2.196 1.00 0.00 O ATOM 0 H GLU A 52 -1.711 12.125 2.125 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.709 14.282 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.218 12.606 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.443 14.271 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.501 15.020 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.439 13.363 2.633 1.00 0.00 H new ATOM 361 N ARG A 53 -2.638 11.738 -1.248 1.00 0.00 N ATOM 362 CA ARG A 53 -3.104 11.244 -2.552 1.00 0.00 C ATOM 363 C ARG A 53 -4.004 10.023 -2.350 1.00 0.00 C ATOM 364 O ARG A 53 -3.951 9.068 -3.130 1.00 0.00 O ATOM 365 CB ARG A 53 -1.941 10.933 -3.532 1.00 0.00 C ATOM 366 CG ARG A 53 -0.888 12.047 -3.628 1.00 0.00 C ATOM 367 CD ARG A 53 -1.422 13.261 -4.397 1.00 0.00 C ATOM 368 NE ARG A 53 -0.420 14.335 -4.454 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.377 15.423 -3.667 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.257 15.604 -2.676 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.570 16.342 -3.883 1.00 0.00 N ATOM 0 H ARG A 53 -2.221 11.010 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.680 12.042 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.452 10.011 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.355 10.752 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.588 12.353 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.004 11.664 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.697 12.962 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.328 13.630 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 53 0.312 14.246 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.982 14.907 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.203 16.439 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.245 16.211 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.617 17.174 -3.295 1.00 0.00 H new ATOM 372 N LYS A 54 -4.880 10.074 -1.338 1.00 0.00 N ATOM 373 CA LYS A 54 -5.776 8.966 -1.036 1.00 0.00 C ATOM 374 C LYS A 54 -6.557 8.492 -2.265 1.00 0.00 C ATOM 375 O LYS A 54 -6.786 7.301 -2.421 1.00 0.00 O ATOM 376 CB LYS A 54 -6.770 9.346 0.066 1.00 0.00 C ATOM 377 CG LYS A 54 -7.778 10.465 -0.253 1.00 0.00 C ATOM 378 CD LYS A 54 -8.775 10.684 0.898 1.00 0.00 C ATOM 379 CE LYS A 54 -9.762 9.512 1.050 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.648 9.679 2.215 1.00 0.00 N ATOM 0 H LYS A 54 -4.982 10.876 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.140 8.148 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.332 8.452 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.201 9.644 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.240 11.393 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.323 10.214 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.226 10.817 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.332 11.604 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.365 9.427 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.205 8.580 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.284 8.859 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.075 9.751 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.212 10.545 2.101 1.00 0.00 H new ATOM 381 N ALA A 55 -6.982 9.417 -3.132 1.00 0.00 N ATOM 382 CA ALA A 55 -7.752 9.080 -4.321 1.00 0.00 C ATOM 383 C ALA A 55 -6.959 8.140 -5.228 1.00 0.00 C ATOM 384 O ALA A 55 -7.473 7.108 -5.657 1.00 0.00 O ATOM 385 CB ALA A 55 -8.133 10.365 -5.062 1.00 0.00 C ATOM 0 H ALA A 55 -6.800 10.415 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.663 8.561 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.710 10.114 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.733 10.998 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.228 10.899 -5.354 1.00 0.00 H new ATOM 386 N MET A 56 -5.701 8.497 -5.507 1.00 0.00 N ATOM 387 CA MET A 56 -4.822 7.696 -6.345 1.00 0.00 C ATOM 388 C MET A 56 -4.656 6.327 -5.686 1.00 0.00 C ATOM 389 O MET A 56 -4.713 5.296 -6.358 1.00 0.00 O ATOM 390 CB MET A 56 -3.463 8.389 -6.531 1.00 0.00 C ATOM 391 CG MET A 56 -3.539 9.654 -7.400 1.00 0.00 C ATOM 392 SD MET A 56 -4.281 11.130 -6.650 1.00 0.00 S ATOM 393 CE MET A 56 -4.195 12.265 -8.052 1.00 0.00 C ATOM 0 H MET A 56 -5.269 9.351 -5.155 1.00 0.00 H new ATOM 0 HA MET A 56 -5.257 7.578 -7.337 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.061 8.652 -5.553 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.764 7.686 -6.985 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.527 9.908 -7.717 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.104 9.412 -8.300 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.613 13.230 -7.765 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.155 12.394 -8.352 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.765 11.857 -8.886 1.00 0.00 H new ATOM 394 N MET A 57 -4.477 6.336 -4.362 1.00 0.00 N ATOM 395 CA MET A 57 -4.327 5.125 -3.579 1.00 0.00 C ATOM 396 C MET A 57 -5.559 4.235 -3.761 1.00 0.00 C ATOM 397 O MET A 57 -5.430 3.117 -4.251 1.00 0.00 O ATOM 398 CB MET A 57 -4.050 5.505 -2.115 1.00 0.00 C ATOM 399 CG MET A 57 -2.543 5.473 -1.840 1.00 0.00 C ATOM 400 SD MET A 57 -1.757 3.880 -2.187 1.00 0.00 S ATOM 401 CE MET A 57 -2.634 2.778 -1.057 1.00 0.00 C ATOM 0 H MET A 57 -4.433 7.192 -3.809 1.00 0.00 H new ATOM 0 HA MET A 57 -3.475 4.539 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.444 6.500 -1.908 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.564 4.813 -1.448 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.059 6.242 -2.442 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.371 5.730 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.479 1.744 -1.364 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.254 2.917 -0.045 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.699 3.007 -1.079 1.00 0.00 H new ATOM 402 N THR A 58 -6.751 4.711 -3.400 1.00 0.00 N ATOM 403 CA THR A 58 -8.010 4.002 -3.587 1.00 0.00 C ATOM 404 C THR A 58 -8.072 3.460 -5.016 1.00 0.00 C ATOM 405 O THR A 58 -8.378 2.290 -5.206 1.00 0.00 O ATOM 406 CB THR A 58 -9.175 4.955 -3.274 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.153 5.243 -1.892 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.541 4.353 -3.620 1.00 0.00 C ATOM 0 H THR A 58 -6.867 5.623 -2.959 1.00 0.00 H new ATOM 0 HA THR A 58 -8.084 3.153 -2.907 1.00 0.00 H new ATOM 0 HB THR A 58 -9.044 5.850 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.376 4.434 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.326 5.069 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.577 4.120 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.693 3.440 -3.044 1.00 0.00 H new ATOM 409 N ASN A 59 -7.746 4.277 -6.021 1.00 0.00 N ATOM 410 CA ASN A 59 -7.740 3.836 -7.415 1.00 0.00 C ATOM 411 C ASN A 59 -6.823 2.614 -7.615 1.00 0.00 C ATOM 412 O ASN A 59 -7.149 1.733 -8.405 1.00 0.00 O ATOM 413 CB ASN A 59 -7.347 5.017 -8.325 1.00 0.00 C ATOM 414 CG ASN A 59 -6.349 4.658 -9.424 1.00 0.00 C ATOM 415 OD1 ASN A 59 -6.724 4.422 -10.567 1.00 0.00 O ATOM 416 ND2 ASN A 59 -5.062 4.644 -9.091 1.00 0.00 N ATOM 0 H ASN A 59 -7.481 5.254 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.743 3.511 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.248 5.421 -8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.922 5.809 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.355 4.433 -9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.781 4.845 -8.131 1.00 0.00 H new ATOM 417 N ALA A 60 -5.688 2.547 -6.912 1.00 0.00 N ATOM 418 CA ALA A 60 -4.738 1.450 -7.046 1.00 0.00 C ATOM 419 C ALA A 60 -5.152 0.218 -6.232 1.00 0.00 C ATOM 420 O ALA A 60 -4.900 -0.908 -6.654 1.00 0.00 O ATOM 421 CB ALA A 60 -3.358 1.938 -6.586 1.00 0.00 C ATOM 0 H ALA A 60 -5.406 3.255 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.713 1.147 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.635 1.127 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.044 2.778 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.413 2.256 -5.545 1.00 0.00 H new ATOM 422 N VAL A 61 -5.758 0.443 -5.063 1.00 0.00 N ATOM 423 CA VAL A 61 -6.177 -0.551 -4.077 1.00 0.00 C ATOM 424 C VAL A 61 -7.528 -1.211 -4.367 1.00 0.00 C ATOM 425 O VAL A 61 -7.630 -2.437 -4.275 1.00 0.00 O ATOM 426 CB VAL A 61 -6.204 0.181 -2.718 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.782 -0.614 -1.550 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.802 0.597 -2.263 1.00 0.00 C ATOM 0 H VAL A 61 -5.983 1.391 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.472 -1.382 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.854 1.029 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.753 -0.006 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.814 -0.887 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.193 -1.518 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.868 1.109 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.175 -0.289 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.364 1.268 -3.002 1.00 0.00 H new ATOM 429 N LYS A 62 -8.560 -0.412 -4.659 1.00 0.00 N ATOM 430 CA LYS A 62 -9.944 -0.821 -4.894 1.00 0.00 C ATOM 431 C LYS A 62 -10.077 -1.714 -6.132 1.00 0.00 C ATOM 432 O LYS A 62 -10.614 -1.325 -7.166 1.00 0.00 O ATOM 433 CB LYS A 62 -10.817 0.441 -4.973 1.00 0.00 C ATOM 434 CG LYS A 62 -12.316 0.125 -4.903 1.00 0.00 C ATOM 435 CD LYS A 62 -13.116 1.426 -4.753 1.00 0.00 C ATOM 436 CE LYS A 62 -14.602 1.153 -4.497 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.232 0.431 -5.616 1.00 0.00 N ATOM 0 H LYS A 62 -8.441 0.598 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.290 -1.437 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.552 1.113 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.603 0.969 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.628 -0.403 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.518 -0.536 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.707 2.012 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.007 2.026 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.711 0.570 -3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.122 2.098 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.250 0.327 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.092 0.966 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.799 -0.510 -5.710 1.00 0.00 H new ATOM 438 N LYS A 63 -9.590 -2.940 -5.977 1.00 0.00 N ATOM 439 CA LYS A 63 -9.550 -4.024 -6.924 1.00 0.00 C ATOM 440 C LYS A 63 -9.036 -5.275 -6.204 1.00 0.00 C ATOM 441 O LYS A 63 -9.510 -6.375 -6.480 1.00 0.00 O ATOM 442 CB LYS A 63 -8.669 -3.661 -8.123 1.00 0.00 C ATOM 443 CG LYS A 63 -7.343 -2.954 -7.804 1.00 0.00 C ATOM 444 CD LYS A 63 -6.589 -2.542 -9.078 1.00 0.00 C ATOM 445 CE LYS A 63 -6.176 -3.723 -9.968 1.00 0.00 C ATOM 446 NZ LYS A 63 -7.214 -4.068 -10.957 1.00 0.00 N ATOM 0 H LYS A 63 -9.172 -3.217 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.549 -4.220 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.446 -4.575 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.246 -3.021 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.540 -2.070 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.714 -3.615 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.218 -1.866 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.697 -1.984 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.250 -3.477 -10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.970 -4.592 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.426 -5.084 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.077 -3.522 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.872 -3.841 -11.913 1.00 0.00 H new ATOM 447 N TYR A 64 -8.074 -5.131 -5.281 1.00 0.00 N ATOM 448 CA TYR A 64 -7.540 -6.237 -4.541 1.00 0.00 C ATOM 449 C TYR A 64 -8.550 -6.670 -3.489 1.00 0.00 C ATOM 450 O TYR A 64 -9.249 -5.873 -2.866 1.00 0.00 O ATOM 451 CB TYR A 64 -6.239 -5.820 -3.855 1.00 0.00 C ATOM 452 CG TYR A 64 -5.170 -5.260 -4.765 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.902 -5.844 -6.019 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.559 -4.044 -4.421 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.179 -5.122 -6.984 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.825 -3.337 -5.376 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.720 -3.829 -6.686 1.00 0.00 C ATOM 458 OH TYR A 64 -3.403 -2.974 -7.694 1.00 0.00 O ATOM 0 H TYR A 64 -7.656 -4.232 -5.041 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.338 -7.065 -5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.473 -5.073 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.830 -6.686 -3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.251 -6.842 -6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.656 -3.655 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.977 -5.560 -7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.338 -2.411 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.832 -2.107 -7.535 1.00 0.00 H new ATOM 459 N SER A 65 -8.579 -7.976 -3.327 1.00 0.00 N ATOM 460 CA SER A 65 -9.390 -8.711 -2.370 1.00 0.00 C ATOM 461 C SER A 65 -8.733 -8.612 -0.995 1.00 0.00 C ATOM 462 O SER A 65 -7.574 -8.220 -0.893 1.00 0.00 O ATOM 463 CB SER A 65 -9.475 -10.182 -2.793 1.00 0.00 C ATOM 464 OG SER A 65 -8.171 -10.726 -2.910 1.00 0.00 O ATOM 0 H SER A 65 -8.001 -8.595 -3.895 1.00 0.00 H new ATOM 0 HA SER A 65 -10.395 -8.291 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.050 -10.748 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.000 -10.266 -3.744 1.00 0.00 H new ATOM 0 HG SER A 65 -7.805 -10.512 -3.794 1.00 0.00 H new ATOM 465 N ASP A 66 -9.443 -9.005 0.063 1.00 0.00 N ATOM 466 CA ASP A 66 -8.905 -9.001 1.419 1.00 0.00 C ATOM 467 C ASP A 66 -7.611 -9.822 1.478 1.00 0.00 C ATOM 468 O ASP A 66 -6.677 -9.450 2.189 1.00 0.00 O ATOM 469 CB ASP A 66 -9.952 -9.562 2.393 1.00 0.00 C ATOM 470 CG ASP A 66 -10.231 -11.048 2.170 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.455 -11.412 0.993 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.195 -11.793 3.171 1.00 0.00 O ATOM 0 H ASP A 66 -10.406 -9.334 0.002 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.671 -7.977 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.608 -9.411 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.881 -9.002 2.283 1.00 0.00 H new ATOM 473 N GLU A 67 -7.570 -10.932 0.734 1.00 0.00 N ATOM 474 CA GLU A 67 -6.427 -11.825 0.642 1.00 0.00 C ATOM 475 C GLU A 67 -5.263 -11.090 -0.027 1.00 0.00 C ATOM 476 O GLU A 67 -4.170 -11.014 0.531 1.00 0.00 O ATOM 477 CB GLU A 67 -6.858 -13.084 -0.129 1.00 0.00 C ATOM 478 CG GLU A 67 -5.743 -14.130 -0.292 1.00 0.00 C ATOM 479 CD GLU A 67 -4.796 -13.828 -1.452 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.295 -13.669 -2.587 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.569 -13.763 -1.213 1.00 0.00 O ATOM 0 H GLU A 67 -8.359 -11.237 0.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.082 -12.136 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.700 -13.544 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.213 -12.789 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.168 -14.185 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.194 -15.110 -0.446 1.00 0.00 H new ATOM 482 N GLU A 68 -5.485 -10.557 -1.232 1.00 0.00 N ATOM 483 CA GLU A 68 -4.457 -9.825 -1.959 1.00 0.00 C ATOM 484 C GLU A 68 -3.926 -8.669 -1.107 1.00 0.00 C ATOM 485 O GLU A 68 -2.717 -8.481 -1.007 1.00 0.00 O ATOM 486 CB GLU A 68 -5.054 -9.308 -3.265 1.00 0.00 C ATOM 487 CG GLU A 68 -5.237 -10.418 -4.305 1.00 0.00 C ATOM 488 CD GLU A 68 -6.048 -9.901 -5.484 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.249 -9.640 -5.250 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.455 -9.758 -6.574 1.00 0.00 O ATOM 0 H GLU A 68 -6.376 -10.623 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.619 -10.485 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.018 -8.843 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.407 -8.533 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.264 -10.769 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.742 -11.271 -3.852 1.00 0.00 H new ATOM 491 N LEU A 69 -4.826 -7.898 -0.494 1.00 0.00 N ATOM 492 CA LEU A 69 -4.465 -6.785 0.367 1.00 0.00 C ATOM 493 C LEU A 69 -3.596 -7.292 1.522 1.00 0.00 C ATOM 494 O LEU A 69 -2.557 -6.701 1.819 1.00 0.00 O ATOM 495 CB LEU A 69 -5.740 -6.104 0.886 1.00 0.00 C ATOM 496 CG LEU A 69 -6.513 -5.252 -0.132 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.665 -4.548 0.593 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.642 -4.199 -0.813 1.00 0.00 C ATOM 0 H LEU A 69 -5.833 -8.035 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.890 -6.049 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.410 -6.875 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.471 -5.469 1.730 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.876 -5.923 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.224 -3.939 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.328 -5.293 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.264 -3.911 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.245 -3.630 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.232 -3.525 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.826 -4.690 -1.344 1.00 0.00 H new ATOM 499 N LYS A 70 -3.998 -8.388 2.174 1.00 0.00 N ATOM 500 CA LYS A 70 -3.221 -8.946 3.271 1.00 0.00 C ATOM 501 C LYS A 70 -1.831 -9.349 2.775 1.00 0.00 C ATOM 502 O LYS A 70 -0.836 -9.070 3.441 1.00 0.00 O ATOM 503 CB LYS A 70 -3.954 -10.149 3.880 1.00 0.00 C ATOM 504 CG LYS A 70 -3.318 -10.566 5.211 1.00 0.00 C ATOM 505 CD LYS A 70 -4.151 -11.675 5.865 1.00 0.00 C ATOM 506 CE LYS A 70 -3.495 -12.190 7.152 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.366 -11.133 8.170 1.00 0.00 N ATOM 0 H LYS A 70 -4.853 -8.900 1.958 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.104 -8.190 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.003 -9.898 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.928 -10.986 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.299 -10.916 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.254 -9.706 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.148 -11.297 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.274 -12.500 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.086 -13.012 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.509 -12.591 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.012 -11.546 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.699 -10.408 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.295 -10.697 8.338 1.00 0.00 H new ATOM 508 N ALA A 71 -1.755 -9.993 1.606 1.00 0.00 N ATOM 509 CA ALA A 71 -0.491 -10.430 1.041 1.00 0.00 C ATOM 510 C ALA A 71 0.385 -9.214 0.758 1.00 0.00 C ATOM 511 O ALA A 71 1.577 -9.219 1.062 1.00 0.00 O ATOM 512 CB ALA A 71 -0.747 -11.242 -0.228 1.00 0.00 C ATOM 0 H ALA A 71 -2.568 -10.221 1.034 1.00 0.00 H new ATOM 0 HA ALA A 71 0.033 -11.071 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.204 -11.568 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.355 -12.114 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.273 -10.624 -0.956 1.00 0.00 H new ATOM 513 N LEU A 72 -0.199 -8.161 0.181 1.00 0.00 N ATOM 514 CA LEU A 72 0.542 -6.953 -0.105 1.00 0.00 C ATOM 515 C LEU A 72 1.103 -6.368 1.180 1.00 0.00 C ATOM 516 O LEU A 72 2.293 -6.072 1.240 1.00 0.00 O ATOM 517 CB LEU A 72 -0.402 -5.942 -0.745 1.00 0.00 C ATOM 518 CG LEU A 72 -0.403 -6.137 -2.252 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.334 -5.106 -2.841 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.986 -5.830 -2.785 1.00 0.00 C ATOM 0 H LEU A 72 -1.181 -8.131 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 72 1.367 -7.183 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.410 -6.068 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.088 -4.928 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.702 -7.155 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.360 -5.216 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.337 -5.248 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.979 -4.107 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.999 -5.966 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.248 -4.799 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.709 -6.504 -2.326 1.00 0.00 H new ATOM 521 N ALA A 73 0.251 -6.171 2.191 1.00 0.00 N ATOM 522 CA ALA A 73 0.696 -5.602 3.452 1.00 0.00 C ATOM 523 C ALA A 73 1.789 -6.476 4.050 1.00 0.00 C ATOM 524 O ALA A 73 2.773 -5.952 4.563 1.00 0.00 O ATOM 525 CB ALA A 73 -0.462 -5.509 4.447 1.00 0.00 C ATOM 0 H ALA A 73 -0.743 -6.398 2.155 1.00 0.00 H new ATOM 0 HA ALA A 73 1.078 -4.600 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.104 -5.080 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.247 -4.875 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.862 -6.506 4.634 1.00 0.00 H new ATOM 526 N ASP A 74 1.611 -7.800 4.010 1.00 0.00 N ATOM 527 CA ASP A 74 2.610 -8.724 4.517 1.00 0.00 C ATOM 528 C ASP A 74 3.938 -8.425 3.822 1.00 0.00 C ATOM 529 O ASP A 74 4.938 -8.218 4.503 1.00 0.00 O ATOM 530 CB ASP A 74 2.173 -10.175 4.294 1.00 0.00 C ATOM 531 CG ASP A 74 3.269 -11.134 4.739 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.354 -11.375 5.963 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.026 -11.585 3.853 1.00 0.00 O ATOM 0 H ASP A 74 0.779 -8.250 3.629 1.00 0.00 H new ATOM 0 HA ASP A 74 2.728 -8.593 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.258 -10.375 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.947 -10.335 3.240 1.00 0.00 H new ATOM 534 N TYR A 75 3.942 -8.353 2.485 1.00 0.00 N ATOM 535 CA TYR A 75 5.157 -8.052 1.741 1.00 0.00 C ATOM 536 C TYR A 75 5.708 -6.690 2.167 1.00 0.00 C ATOM 537 O TYR A 75 6.860 -6.617 2.589 1.00 0.00 O ATOM 538 CB TYR A 75 4.911 -8.117 0.231 1.00 0.00 C ATOM 539 CG TYR A 75 6.144 -7.739 -0.564 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.278 -8.571 -0.507 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.243 -6.466 -1.158 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.498 -8.145 -1.059 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.462 -6.048 -1.721 1.00 0.00 C ATOM 544 CZ TYR A 75 8.587 -6.884 -1.671 1.00 0.00 C ATOM 545 OH TYR A 75 9.767 -6.458 -2.201 1.00 0.00 O ATOM 0 H TYR A 75 3.117 -8.500 1.904 1.00 0.00 H new ATOM 0 HA TYR A 75 5.906 -8.809 1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.599 -9.125 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.092 -7.448 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.210 -9.541 -0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.384 -5.812 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.366 -8.786 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.532 -5.079 -2.194 1.00 0.00 H new ATOM 0 HH TYR A 75 9.649 -5.564 -2.585 1.00 0.00 H new ATOM 546 N MET A 76 4.923 -5.609 2.059 1.00 0.00 N ATOM 547 CA MET A 76 5.382 -4.295 2.499 1.00 0.00 C ATOM 548 C MET A 76 5.981 -4.334 3.912 1.00 0.00 C ATOM 549 O MET A 76 7.005 -3.710 4.164 1.00 0.00 O ATOM 550 CB MET A 76 4.211 -3.315 2.464 1.00 0.00 C ATOM 551 CG MET A 76 3.986 -2.772 1.059 1.00 0.00 C ATOM 552 SD MET A 76 2.623 -1.591 0.972 1.00 0.00 S ATOM 553 CE MET A 76 1.220 -2.705 1.101 1.00 0.00 C ATOM 0 H MET A 76 3.978 -5.623 1.674 1.00 0.00 H new ATOM 0 HA MET A 76 6.170 -3.971 1.819 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.306 -3.813 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.404 -2.489 3.149 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.900 -2.291 0.710 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.785 -3.602 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.544 -2.538 0.262 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.572 -3.737 1.084 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.691 -2.517 2.035 1.00 0.00 H new ATOM 554 N SER A 77 5.386 -5.094 4.830 1.00 0.00 N ATOM 555 CA SER A 77 5.865 -5.183 6.204 1.00 0.00 C ATOM 556 C SER A 77 7.263 -5.804 6.319 1.00 0.00 C ATOM 557 O SER A 77 7.788 -5.840 7.431 1.00 0.00 O ATOM 558 CB SER A 77 4.860 -5.974 7.043 1.00 0.00 C ATOM 559 OG SER A 77 5.079 -5.756 8.428 1.00 0.00 O ATOM 0 H SER A 77 4.561 -5.663 4.641 1.00 0.00 H new ATOM 0 HA SER A 77 5.953 -4.164 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.845 -5.676 6.779 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.949 -7.037 6.819 1.00 0.00 H new ATOM 0 HG SER A 77 6.042 -5.738 8.608 1.00 0.00 H new ATOM 560 N LYS A 78 7.833 -6.353 5.237 1.00 0.00 N ATOM 561 CA LYS A 78 9.182 -6.908 5.244 1.00 0.00 C ATOM 562 C LYS A 78 10.210 -5.804 4.962 1.00 0.00 C ATOM 563 O LYS A 78 11.403 -6.054 5.117 1.00 0.00 O ATOM 564 CB LYS A 78 9.310 -8.034 4.205 1.00 0.00 C ATOM 565 CG LYS A 78 8.273 -9.152 4.371 1.00 0.00 C ATOM 566 CD LYS A 78 8.450 -9.946 5.675 1.00 0.00 C ATOM 567 CE LYS A 78 7.313 -10.958 5.861 1.00 0.00 C ATOM 568 NZ LYS A 78 6.046 -10.290 6.207 1.00 0.00 N ATOM 0 H LYS A 78 7.365 -6.422 4.333 1.00 0.00 H new ATOM 0 HA LYS A 78 9.378 -7.328 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.213 -7.607 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.309 -8.465 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.273 -8.719 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.344 -9.834 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.407 -10.468 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.474 -9.260 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.183 -11.534 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.579 -11.665 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.311 -11.006 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.178 -9.720 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.754 -9.672 5.423 1.00 0.00 H new ATOM 569 N LEU A 79 9.770 -4.628 4.496 1.00 0.00 N ATOM 570 CA LEU A 79 10.660 -3.505 4.236 1.00 0.00 C ATOM 571 C LEU A 79 11.241 -3.003 5.560 1.00 0.00 C ATOM 572 O LEU A 79 12.472 -2.797 5.612 1.00 0.00 O ATOM 573 CB LEU A 79 9.870 -2.357 3.601 1.00 0.00 C ATOM 574 CG LEU A 79 9.628 -2.386 2.092 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.229 -3.726 1.543 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.477 -1.459 1.697 1.00 0.00 C ATOM 577 OXT LEU A 79 10.423 -2.750 6.473 1.00 0.00 O ATOM 0 H LEU A 79 8.789 -4.435 4.291 1.00 0.00 H new ATOM 0 HA LEU A 79 11.456 -3.831 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.898 -2.312 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.389 -1.428 3.836 1.00 0.00 H new ATOM 0 HG LEU A 79 10.593 -2.086 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.079 -3.648 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.015 -4.452 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.302 -4.051 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.329 -1.502 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.564 -1.777 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.716 -0.437 1.990 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.585 3.785 -2.334 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.461 4.982 0.800 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.082 0.635 -1.110 1.00 7.91 C HETATM 582 CHC HEM A 80 0.643 2.547 -5.494 1.00 6.02 C HETATM 583 CHD HEM A 80 1.238 6.942 -3.525 1.00 10.53 C HETATM 584 NA HEM A 80 0.439 2.949 -0.534 1.00 6.22 N HETATM 585 C1A HEM A 80 0.466 3.620 0.658 1.00 6.23 C HETATM 586 C2A HEM A 80 0.490 2.717 1.758 1.00 8.27 C HETATM 587 C3A HEM A 80 0.188 1.502 1.259 1.00 7.07 C HETATM 588 C4A HEM A 80 0.173 1.639 -0.188 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.020 0.255 2.054 1.00 7.00 C HETATM 590 CAA HEM A 80 0.826 3.105 3.171 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.327 3.642 4.020 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.252 5.149 4.254 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.258 5.827 4.053 1.00 18.65 O HETATM 594 O2A HEM A 80 0.818 5.625 4.625 1.00 17.21 O HETATM 595 NB HEM A 80 0.201 2.000 -3.146 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.124 0.828 -2.490 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.457 -0.191 -3.448 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.070 0.271 -4.667 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.281 1.664 -4.483 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.029 -1.530 -3.085 1.00 4.31 C HETATM 601 CAB HEM A 80 0.023 -0.492 -5.969 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.254 -1.184 -6.447 1.00 6.48 C HETATM 603 NC HEM A 80 0.852 4.588 -4.141 1.00 3.58 N HETATM 604 C1C HEM A 80 0.818 3.913 -5.342 1.00 4.45 C HETATM 605 C2C HEM A 80 1.044 4.813 -6.439 1.00 5.77 C HETATM 606 C3C HEM A 80 1.367 6.016 -5.897 1.00 8.44 C HETATM 607 C4C HEM A 80 1.157 5.901 -4.456 1.00 11.13 C HETATM 608 CMC HEM A 80 1.011 4.398 -7.890 1.00 8.62 C HETATM 609 CAC HEM A 80 1.880 7.232 -6.633 1.00 3.39 C HETATM 610 CBC HEM A 80 0.775 7.988 -7.382 1.00 10.94 C HETATM 611 ND HEM A 80 0.736 5.618 -1.531 1.00 4.28 N HETATM 612 C1D HEM A 80 1.002 6.822 -2.149 1.00 5.02 C HETATM 613 C2D HEM A 80 1.021 7.891 -1.141 1.00 3.97 C HETATM 614 C3D HEM A 80 0.838 7.296 0.079 1.00 5.11 C HETATM 615 C4D HEM A 80 0.646 5.908 -0.194 1.00 9.05 C HETATM 616 CMD HEM A 80 1.221 9.353 -1.440 1.00 5.28 C HETATM 617 CAD HEM A 80 0.796 7.847 1.505 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.561 8.411 1.902 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.671 9.876 1.550 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.384 10.707 2.409 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.102 10.166 0.440 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.682 -0.418 1.509 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.470 0.507 3.015 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.939 -0.235 2.220 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.673 -1.822 -2.097 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.712 -2.272 -3.818 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.117 -1.470 -3.076 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.682 5.238 -8.501 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.318 3.566 -8.015 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.009 4.090 -8.203 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.845 9.461 -2.327 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.709 9.834 -0.592 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.254 9.824 -1.617 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.251 -1.750 -7.379 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.167 -1.111 -5.856 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.018 8.885 -7.952 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.253 7.629 -7.344 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.329 3.131 4.983 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.271 3.404 3.531 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.610 3.862 3.141 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.244 2.233 3.675 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.712 8.280 2.973 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.350 7.853 1.398 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.548 8.629 1.605 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.067 7.053 2.200 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.294 5.366 1.796 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.260 -0.362 -0.734 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.801 2.134 -6.479 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.505 7.920 -3.898 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.952 -0.546 -6.537 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.926 7.540 -6.632 1.00 3.39 H new